data_exp_137_auto _audit_creation_date 2023-06-09 _audit_creation_method ; Olex2 1.5-ac5-024 (compiled 2022.04.12 svn.rca3783a0 for Rigaku Oxford Diffraction, GUI svn.r6498) ; _shelx_SHELXL_version_number '2018/1' _audit_contact_author_address ? _audit_contact_author_email ? _audit_contact_author_name '' _audit_contact_author_phone ? _publ_contact_author_id_orcid ? _publ_section_references ; Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341. Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8. Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8. ; _chemical_name_common ? _chemical_name_systematic ? _chemical_formula_moiety 'C16 H20 I Si, C F3 O3 S' _chemical_formula_sum 'C17 H20 F3 I O3 S Si' _chemical_formula_weight 516.38 _chemical_melting_point ? _chemical_oxdiff_formula 'C17 H20 I O3 S F3 Si' loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'I' 'I' -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'S' 'S' 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Si' 'Si' 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _space_group_crystal_system 'triclinic' _space_group_IT_number 2 _space_group_name_H-M_alt 'P -1' _space_group_name_Hall '-P 1' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 7.3495(6) _cell_length_b 11.6602(10) _cell_length_c 12.4478(5) _cell_angle_alpha 90.503(6) _cell_angle_beta 98.370(5) _cell_angle_gamma 93.160(7) _cell_volume 1053.62(13) _cell_formula_units_Z 2 _cell_measurement_reflns_used 6150 _cell_measurement_temperature 93.15 _cell_measurement_theta_max 79.4830 _cell_measurement_theta_min 3.5400 _shelx_estimated_absorpt_T_max 0.630 _shelx_estimated_absorpt_T_min 0.282 _exptl_absorpt_coefficient_mu 13.779 _exptl_absorpt_correction_T_max 0.769 _exptl_absorpt_correction_T_min 0.348 _exptl_absorpt_correction_type gaussian _exptl_absorpt_process_details ; CrysAlisPro 1.171.42.74a (Rigaku Oxford Diffraction, 2022) Numerical absorption correction based on gaussian integration over a multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_special_details ? _exptl_crystal_colour colourless _exptl_crystal_colour_lustre ? _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.628 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_description plate _exptl_crystal_F_000 512 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -5 -2 0 0.0734 0 0 8 0.0391 5 2 -1 0.0348 -1 7 2 0.0154 4 3 -3 0.0341 1 -7 -2 0.0341 0 0 -8 0.0469 0 -7 0 0.0191 0 -7 3 0.0210 -1 -6 -4 0.0331 -1 8 0 0.0095 _exptl_crystal_size_max 0.123 _exptl_crystal_size_mid 0.086 _exptl_crystal_size_min 0.037 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -4.5703 -1.5710 0.2091 0.2521 0.2612 0.9318 -0.0865 -0.2466 8.0129 -0.6601 -0.6992 0.2747 4.5970 1.5980 -0.8692 -0.1989 -0.2048 -0.9584 -0.7214 7.3586 1.7471 0.5662 -0.8217 -0.0648 4.1228 3.1603 -2.5996 0.1193 -0.1798 -0.9764 0.7463 -7.3521 -1.7649 -0.5664 0.8220 0.0592 0.1156 0.2730 -8.0185 0.6603 0.6964 -0.2813 -0.4589 -7.4782 -0.0211 -0.6110 0.7113 0.3475 -0.0972 -7.0863 2.9019 -0.8446 0.3999 0.3560 -0.6184 -6.3014 -3.9319 -0.1786 0.9601 0.2150 -0.5121 7.5580 -0.1276 0.7162 -0.6768 -0.1700 _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.1032 _diffrn_reflns_av_unetI/netI 0.0712 _diffrn_reflns_Laue_measured_fraction_full 0.993 _diffrn_reflns_Laue_measured_fraction_max 0.926 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_limit_l_min -14 _diffrn_reflns_number 11350 _diffrn_reflns_point_group_measured_fraction_full 0.993 _diffrn_reflns_point_group_measured_fraction_max 0.926 _diffrn_reflns_theta_full 67.684 _diffrn_reflns_theta_max 80.371 _diffrn_reflns_theta_min 3.590 _diffrn_ambient_temperature 93.15 _diffrn_detector 'Hybrid Pixel Array Detector' _diffrn_detector_area_resol_mean 10.0000 _diffrn_detector_type HyPix _diffrn_measured_fraction_theta_full 0.993 _diffrn_measured_fraction_theta_max 0.926 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -82.00 2.00 0.50 0.80 -- -48.26 106.00 97.00 168 2 \w -2.00 83.00 0.50 0.80 -- 48.26-106.00 -1.00 170 3 \w -106.00 -46.00 0.50 1.63 -- -106.00 106.00 97.00 120 4 \w -137.00 -87.00 0.50 1.63 -- -106.00-106.00 -1.00 100 5 \w 83.00 171.00 0.50 1.63 -- 111.50 106.00 97.00 176 6 \w 71.00 96.00 0.50 1.63 -- 111.50-106.00 -1.00 50 7 \w -21.00 26.00 0.50 0.80 -- -48.26 19.00 -90.00 94 8 \w -42.00 24.00 0.50 0.80 -- -48.26 38.00 0.00 132 9 \w -22.00 23.00 0.50 0.80 -- -48.26 38.00 120.00 90 10 \w 42.00 70.00 0.50 0.80 -- 48.26 -77.00-150.00 56 11 \w -14.00 13.00 0.50 0.80 -- 48.26 -19.00 -90.00 54 12 \w -16.00 9.00 0.50 0.80 -- 48.26 -77.00-150.00 50 13 \w -24.00 18.00 0.50 0.80 -- 48.26 -19.00 -60.00 84 14 \w -149.00 -90.00 0.50 1.63 -- -106.00 -63.00 83.34 118 15 \w -159.00 -96.00 0.50 1.63 -- -106.00 -55.00 40.12 126 16 \w -66.00 -34.00 0.50 1.63 -- -106.00 57.00 30.00 64 17 \w -107.00 -50.00 0.50 1.63 -- -106.00 107.00-113.88 114 18 \w -127.00 -35.00 0.50 1.63 -- -106.00 77.00-120.00 184 19 \w -82.00 -49.00 0.50 1.63 -- -106.00 143.00 -6.58 66 20 \w -174.00 -93.00 0.50 1.63 -- -106.00 -59.00 107.00 162 21 \w -94.00 -36.00 0.50 1.63 -- -106.00 100.00 -82.41 116 22 \w -124.00 -96.00 0.50 1.63 -- -106.00 143.00 -6.58 56 23 \w 111.00 162.00 0.50 1.63 -- 111.50 19.00-180.00 102 24 \w 44.00 95.00 0.50 1.63 -- 111.50 -99.00-180.00 102 25 \w 40.00 65.00 0.50 1.63 -- 111.50 -57.00 -90.00 50 26 \w 63.00 88.00 0.50 1.63 -- 111.50 -99.00 30.00 50 27 \w 91.00 178.00 0.50 1.63 -- 111.50 77.00-180.00 174 28 \w 61.00 110.00 0.50 1.63 -- 111.50-125.00-150.00 98 29 \w 44.00 71.00 0.50 1.63 -- 111.50 -99.00-120.00 54 30 \w 43.00 109.00 0.50 1.63 -- 111.50-125.00 150.00 132 31 \w 136.00 161.00 0.50 1.63 -- 111.50 38.00 -30.00 50 32 \w 40.00 65.00 0.50 1.63 -- 111.50 -57.00 -30.00 50 33 \w 40.00 66.00 0.50 1.63 -- 111.50 -57.00 30.00 52 34 \w 64.00 107.00 0.50 1.63 -- 111.50-125.00 0.00 86 35 \w 99.00 171.00 0.50 1.63 -- 111.50 57.00 -90.00 144 36 \w 40.00 65.00 0.50 1.63 -- 111.50 -57.00-150.00 50 ; _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'XtaLAB Synergy, Single source at home/near, HyPix' _diffrn_measurement_method '\w scans' _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0888845000 _diffrn_orient_matrix_UB_12 0.0873805000 _diffrn_orient_matrix_UB_13 -0.0806479000 _diffrn_orient_matrix_UB_21 -0.0292964000 _diffrn_orient_matrix_UB_22 -0.0930656000 _diffrn_orient_matrix_UB_23 -0.0904371000 _diffrn_orient_matrix_UB_31 -0.1904688000 _diffrn_orient_matrix_UB_32 -0.0348702000 _diffrn_orient_matrix_UB_33 0.0311485000 _diffrn_radiation_monochromator mirror _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Cu K\a' _diffrn_radiation_wavelength 1.54184 _diffrn_source 'micro-focus sealed X-ray tube' _diffrn_source_type 'PhotonJet (Cu) X-ray Source' _reflns_Friedel_coverage 0.000 _reflns_Friedel_fraction_full . _reflns_Friedel_fraction_max . _reflns_number_gt 3586 _reflns_number_total 4282 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement 'CrysAlisPro 1.171.42.74a (Rigaku OD, 2022)' _computing_data_collection 'CrysAlisPro 1.171.42.74a (Rigaku OD, 2022)' _computing_data_reduction 'CrysAlisPro 1.171.42.74a (Rigaku OD, 2022)' _computing_molecular_graphics 'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 1.5-ac5-024 (Dolomanov et al., 2009)' _computing_structure_refinement 'SHELXL 2018/1 (Sheldrick, 2015)' _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' _refine_diff_density_max 3.132 _refine_diff_density_min -3.945 _refine_diff_density_rms 0.229 _refine_ls_extinction_coef 0.0019(6) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_extinction_method 'SHELXL-2018/1 (Sheldrick 2018)' _refine_ls_goodness_of_fit_ref 1.232 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 240 _refine_ls_number_reflns 4282 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0906 _refine_ls_R_factor_gt 0.0761 _refine_ls_restrained_S_all 1.232 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.1520P)^2^+1.2009P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.2159 _refine_ls_wR_factor_ref 0.2463 _refine_special_details ? _olex2_refinement_description ; 1. Fixed Uiso At 1.2 times of: All C(H) groups At 1.5 times of: All C(H,H,H) groups 2.a Aromatic/amide H refined with riding coordinates: C6(H6), C2(H2), C5(H5), C13(H13), C12(H12), C11(H11), C9(H9), C10(H10) 2.b Idealised Me refined as rotating group: C18(H18A,H18B,H18C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B, H17C) ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary dual _atom_sites_solution_secondary ? loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group I7 I 0.16226(7) 0.53671(4) 0.33249(4) 0.0351(3) Uani 1 1 d . . . . . S19 S 0.2209(3) 0.6779(2) 0.64403(19) 0.0396(5) Uani 1 1 d . . . . . Si14 Si 0.3153(4) 0.1841(2) 0.0337(2) 0.0427(6) Uani 1 1 d . . . . . O25 O 0.1320(9) 0.6270(6) 0.5420(5) 0.0405(14) Uani 1 1 d . . . . . O26 O 0.1332(11) 0.6385(6) 0.7344(6) 0.0477(16) Uani 1 1 d . . . . . F23 F 0.2369(11) 0.8891(6) 0.7210(6) 0.0684(19) Uani 1 1 d . . . . . F21 F -0.0180(12) 0.8376(7) 0.6207(7) 0.082(3) Uani 1 1 d . . . . . O24 O 0.4183(10) 0.6823(7) 0.6587(7) 0.061(2) Uani 1 1 d . . . . . F22 F 0.2243(17) 0.8772(7) 0.5479(7) 0.101(3) Uani 1 1 d . . . . . C1 C 0.2058(11) 0.4901(7) 0.1744(6) 0.0298(16) Uani 1 1 d . . . . . C8 C 0.3847(14) 0.6590(9) 0.3578(7) 0.040(2) Uani 1 1 d . . . . . C4 C 0.2715(11) 0.4242(9) -0.0292(8) 0.0372(19) Uani 1 1 d . . . . . C6 C 0.1973(12) 0.5708(8) 0.0940(7) 0.0364(18) Uani 1 1 d . . . . . H6 H 0.167272 0.647228 0.107716 0.044 Uiso 1 1 calc R U . . . C2 C 0.2439(12) 0.3753(8) 0.1569(8) 0.0390(19) Uani 1 1 d . . . . . H2 H 0.249228 0.321813 0.214327 0.047 Uiso 1 1 calc R U . . . C5 C 0.2331(12) 0.5379(8) -0.0063(7) 0.0363(18) Uani 1 1 d . . . . . H5 H 0.231994 0.593310 -0.061879 0.044 Uiso 1 1 calc R U . . . C3 C 0.2738(12) 0.3415(8) 0.0537(8) 0.0363(18) Uani 1 1 d . . . . . C13 C 0.5589(12) 0.6245(9) 0.3999(8) 0.040(2) Uani 1 1 d . . . . . H13 H 0.577067 0.546106 0.416077 0.047 Uiso 1 1 calc R U . . . C18 C 0.3074(13) 0.3938(10) -0.1414(8) 0.044(2) Uani 1 1 d . . . . . H18A H 0.194873 0.358085 -0.183080 0.066 Uiso 1 1 calc R U . . . H18B H 0.405838 0.339961 -0.136539 0.066 Uiso 1 1 calc R U . . . H18C H 0.344780 0.463655 -0.177662 0.066 Uiso 1 1 calc R U . . . C12 C 0.7058(14) 0.7059(9) 0.4179(9) 0.047(2) Uani 1 1 d . . . . . H12 H 0.825300 0.683566 0.446561 0.057 Uiso 1 1 calc R U . . . C11 C 0.6777(15) 0.8179(10) 0.3942(10) 0.053(3) Uani 1 1 d . . . . . H11 H 0.778324 0.873296 0.408098 0.063 Uiso 1 1 calc R U . . . C9 C 0.3544(15) 0.7735(9) 0.3322(10) 0.050(2) Uani 1 1 d . . . . . H9 H 0.235129 0.796160 0.303379 0.060 Uiso 1 1 calc R U . . . C15 C 0.2788(15) 0.1069(9) 0.1599(9) 0.050(2) Uani 1 1 d . . . . . H15A H 0.367758 0.138025 0.220885 0.075 Uiso 1 1 calc R U . . . H15B H 0.296001 0.024856 0.150215 0.075 Uiso 1 1 calc R U . . . H15C H 0.153420 0.117059 0.174950 0.075 Uiso 1 1 calc R U . . . C20 C 0.1654(17) 0.8270(10) 0.6330(9) 0.052(3) Uani 1 1 d . . . . . C10 C 0.5041(17) 0.8535(9) 0.3500(11) 0.058(3) Uani 1 1 d . . . . . H10 H 0.488438 0.931787 0.332312 0.069 Uiso 1 1 calc R U . . . C16 C 0.1455(17) 0.1221(11) -0.0817(10) 0.056(3) Uani 1 1 d . . . . . H16A H 0.021629 0.144094 -0.073074 0.083 Uiso 1 1 calc R U . . . H16B H 0.148436 0.038170 -0.082008 0.083 Uiso 1 1 calc R U . . . H16C H 0.177680 0.151576 -0.150392 0.083 Uiso 1 1 calc R U . . . C17 C 0.5606(15) 0.1680(9) 0.0101(11) 0.055(3) Uani 1 1 d . . . . . H17A H 0.579373 0.203151 -0.058916 0.082 Uiso 1 1 calc R U . . . H17B H 0.584644 0.086276 0.007626 0.082 Uiso 1 1 calc R U . . . H17C H 0.645085 0.206283 0.069475 0.082 Uiso 1 1 calc R U . . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 I7 0.0348(4) 0.0384(4) 0.0315(4) -0.0056(2) 0.0031(2) 0.0018(2) S19 0.0376(11) 0.0406(11) 0.0389(12) -0.0073(9) 0.0021(9) -0.0016(9) Si14 0.0426(14) 0.0369(13) 0.0483(15) -0.0107(11) 0.0065(11) 0.0021(10) O25 0.048(4) 0.044(3) 0.029(3) -0.007(3) 0.003(3) 0.000(3) O26 0.058(4) 0.049(4) 0.035(4) -0.004(3) 0.011(3) -0.016(3) F23 0.087(5) 0.050(4) 0.065(4) -0.023(3) 0.002(4) -0.004(3) F21 0.088(6) 0.066(5) 0.085(5) -0.020(4) -0.020(4) 0.039(4) O24 0.041(4) 0.068(5) 0.070(5) -0.017(4) 0.003(4) -0.002(4) F22 0.186(11) 0.051(4) 0.076(6) 0.005(4) 0.052(6) 0.000(5) C1 0.029(4) 0.040(4) 0.022(4) 0.000(3) 0.009(3) -0.003(3) C8 0.045(5) 0.052(5) 0.023(4) -0.008(4) 0.003(4) 0.005(4) C4 0.022(4) 0.049(5) 0.041(5) -0.007(4) 0.005(3) 0.001(3) C6 0.039(5) 0.040(4) 0.029(4) -0.004(3) 0.000(3) 0.004(4) C2 0.040(5) 0.044(5) 0.033(4) -0.010(4) 0.003(4) 0.007(4) C5 0.029(4) 0.044(5) 0.035(5) 0.006(4) 0.002(3) 0.005(3) C3 0.028(4) 0.040(5) 0.039(5) -0.005(4) 0.002(3) 0.002(3) C13 0.037(5) 0.044(5) 0.038(5) -0.006(4) 0.005(4) 0.002(4) C18 0.034(5) 0.065(6) 0.034(5) -0.006(4) 0.007(4) 0.005(4) C12 0.043(5) 0.049(6) 0.049(6) -0.007(5) 0.003(4) 0.001(4) C11 0.046(6) 0.051(6) 0.056(7) -0.006(5) -0.002(5) -0.013(5) C9 0.044(5) 0.043(5) 0.059(6) -0.010(5) -0.006(5) 0.004(4) C15 0.054(6) 0.038(5) 0.057(6) -0.010(4) 0.005(5) 0.003(4) C20 0.065(7) 0.046(6) 0.043(6) -0.008(4) 0.003(5) -0.003(5) C10 0.064(7) 0.033(5) 0.074(8) -0.008(5) 0.006(6) -0.005(5) C16 0.058(7) 0.052(6) 0.053(6) -0.011(5) 0.001(5) -0.007(5) C17 0.055(6) 0.036(5) 0.074(8) -0.010(5) 0.009(5) 0.010(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag I7 C1 2.111(8) . ? I7 C8 2.095(10) . ? S19 O25 1.448(7) . ? S19 O26 1.442(7) . ? S19 O24 1.433(8) . ? S19 C20 1.810(12) . ? Si14 C3 1.898(10) . ? Si14 C15 1.863(12) . ? Si14 C16 1.872(12) . ? Si14 C17 1.887(11) . ? F23 C20 1.333(13) . ? F21 C20 1.347(15) . ? F22 C20 1.329(14) . ? C1 C6 1.377(12) . ? C1 C2 1.404(12) . ? C8 C13 1.393(13) . ? C8 C9 1.398(15) . ? C4 C5 1.405(13) . ? C4 C3 1.417(14) . ? C4 C18 1.501(13) . ? C6 C5 1.369(13) . ? C2 C3 1.392(13) . ? C13 C12 1.389(14) . ? C12 C11 1.361(15) . ? C11 C10 1.400(17) . ? C9 C10 1.393(16) . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C8 I7 C1 94.8(3) . . ? O25 S19 C20 103.5(5) . . ? O26 S19 O25 112.1(4) . . ? O26 S19 C20 103.3(5) . . ? O24 S19 O25 114.9(5) . . ? O24 S19 O26 116.9(5) . . ? O24 S19 C20 104.0(6) . . ? C15 Si14 C3 108.3(4) . . ? C15 Si14 C16 108.6(5) . . ? C15 Si14 C17 108.5(5) . . ? C16 Si14 C3 109.4(5) . . ? C16 Si14 C17 111.8(6) . . ? C17 Si14 C3 110.0(4) . . ? C6 C1 I7 120.1(6) . . ? C6 C1 C2 122.9(8) . . ? C2 C1 I7 116.9(6) . . ? C13 C8 I7 119.4(7) . . ? C13 C8 C9 121.6(10) . . ? C9 C8 I7 119.1(7) . . ? C5 C4 C3 119.2(8) . . ? C5 C4 C18 118.8(9) . . ? C3 C4 C18 121.9(9) . . ? C5 C6 C1 118.2(8) . . ? C3 C2 C1 118.5(9) . . ? C6 C5 C4 121.7(9) . . ? C4 C3 Si14 124.1(7) . . ? C2 C3 Si14 116.5(7) . . ? C2 C3 C4 119.4(9) . . ? C12 C13 C8 119.3(10) . . ? C11 C12 C13 119.7(10) . . ? C12 C11 C10 121.7(10) . . ? C10 C9 C8 118.1(10) . . ? F23 C20 S19 112.4(8) . . ? F23 C20 F21 106.5(10) . . ? F21 C20 S19 111.3(8) . . ? F22 C20 S19 112.5(8) . . ? F22 C20 F23 107.4(10) . . ? F22 C20 F21 106.4(10) . . ? C9 C10 C11 119.6(11) . . ? _shelx_res_file ; TITL exp_137_auto_a.res in P-1 exp_137_auto.res created by SHELXL-2018/1 at 16:12:05 on 09-Jun-2023 REM Old TITL exp_137_auto in P1 REM SHELXT solution in P-1 REM R1 0.107, Rweak 0.010, Alpha 0.045, Orientation as input REM Formula found by SHELXT: C17 O24 F22 Si S I CELL 1.54184 7.3495 11.6602 12.4478 90.503 98.37 93.16 ZERR 2 0.0006 0.001 0.0005 0.006 0.005 0.007 LATT 1 SFAC C H F I O S Si UNIT 34 40 6 2 6 2 2 L.S. 4 PLAN 10 SIZE 0.037 0.086 0.123 TEMP -180 fmap 2 ACTA OMIT -4 7 13 OMIT -1 -11 9 OMIT 3 10 3 OMIT -4 8 7 REM REM REM WGHT 0.152000 1.200900 EXTI 0.001914 FVAR 0.53894 I7 4 0.162255 0.536711 0.332487 11.00000 0.03478 0.03838 = 0.03147 -0.00561 0.00315 0.00177 S19 6 0.220908 0.677896 0.644028 11.00000 0.03764 0.04063 = 0.03895 -0.00733 0.00212 -0.00160 SI14 7 0.315342 0.184083 0.033720 11.00000 0.04258 0.03687 = 0.04831 -0.01067 0.00647 0.00214 O25 5 0.132029 0.626959 0.541986 11.00000 0.04759 0.04364 = 0.02910 -0.00730 0.00342 0.00008 O26 5 0.133185 0.638544 0.734375 11.00000 0.05808 0.04876 = 0.03527 -0.00433 0.01133 -0.01650 F23 3 0.236879 0.889133 0.721018 11.00000 0.08668 0.04988 = 0.06484 -0.02291 0.00240 -0.00404 F21 3 -0.018019 0.837620 0.620706 11.00000 0.08760 0.06586 = 0.08495 -0.02014 -0.02020 0.03938 O24 5 0.418261 0.682343 0.658665 11.00000 0.04130 0.06814 = 0.07049 -0.01698 0.00286 -0.00192 F22 3 0.224312 0.877179 0.547927 11.00000 0.18576 0.05050 = 0.07572 0.00466 0.05169 0.00017 C1 1 0.205800 0.490066 0.174370 11.00000 0.02863 0.04030 = 0.02158 0.00004 0.00907 -0.00268 C8 1 0.384719 0.658976 0.357831 11.00000 0.04519 0.05233 = 0.02296 -0.00753 0.00298 0.00521 C4 1 0.271526 0.424246 -0.029211 11.00000 0.02188 0.04865 = 0.04084 -0.00705 0.00460 0.00053 C6 1 0.197252 0.570777 0.093953 11.00000 0.03898 0.03957 = 0.02950 -0.00427 0.00040 0.00388 AFIX 43 H6 2 0.167272 0.647228 0.107716 11.00000 -1.20000 AFIX 0 C2 1 0.243920 0.375259 0.156944 11.00000 0.03982 0.04361 = 0.03324 -0.01032 0.00345 0.00660 AFIX 43 H2 2 0.249228 0.321813 0.214327 11.00000 -1.20000 AFIX 0 C5 1 0.233106 0.537898 -0.006327 11.00000 0.02934 0.04418 = 0.03484 0.00577 0.00180 0.00488 AFIX 43 H5 2 0.231994 0.593310 -0.061879 11.00000 -1.20000 AFIX 0 C3 1 0.273762 0.341525 0.053668 11.00000 0.02838 0.04029 = 0.03934 -0.00539 0.00249 0.00218 C13 1 0.558897 0.624481 0.399881 11.00000 0.03656 0.04403 = 0.03782 -0.00558 0.00497 0.00225 AFIX 43 H13 2 0.577067 0.546106 0.416077 11.00000 -1.20000 AFIX 0 C18 1 0.307363 0.393850 -0.141350 11.00000 0.03436 0.06477 = 0.03428 -0.00587 0.00708 0.00548 AFIX 137 H18A 2 0.194873 0.358085 -0.183080 11.00000 -1.50000 H18B 2 0.405838 0.339961 -0.136539 11.00000 -1.50000 H18C 2 0.344780 0.463655 -0.177662 11.00000 -1.50000 AFIX 0 C12 1 0.705786 0.705923 0.417886 11.00000 0.04301 0.04905 = 0.04899 -0.00686 0.00342 0.00063 AFIX 43 H12 2 0.825300 0.683566 0.446561 11.00000 -1.20000 AFIX 0 C11 1 0.677652 0.817907 0.394248 11.00000 0.04606 0.05133 = 0.05638 -0.00619 -0.00231 -0.01309 AFIX 43 H11 2 0.778324 0.873296 0.408098 11.00000 -1.20000 AFIX 0 C9 1 0.354415 0.773515 0.332177 11.00000 0.04376 0.04338 = 0.05867 -0.01003 -0.00625 0.00395 AFIX 43 H9 2 0.235129 0.796160 0.303379 11.00000 -1.20000 AFIX 0 C15 1 0.278800 0.106855 0.159893 11.00000 0.05449 0.03794 = 0.05706 -0.01018 0.00488 0.00272 AFIX 137 H15A 2 0.367758 0.138025 0.220885 11.00000 -1.50000 H15B 2 0.296001 0.024856 0.150215 11.00000 -1.50000 H15C 2 0.153420 0.117059 0.174950 11.00000 -1.50000 AFIX 0 C20 1 0.165369 0.827042 0.632997 11.00000 0.06501 0.04555 = 0.04324 -0.00756 0.00270 -0.00345 C10 1 0.504076 0.853518 0.350035 11.00000 0.06414 0.03299 = 0.07389 -0.00841 0.00599 -0.00465 AFIX 43 H10 2 0.488438 0.931787 0.332312 11.00000 -1.20000 AFIX 0 C16 1 0.145547 0.122097 -0.081685 11.00000 0.05784 0.05240 = 0.05304 -0.01110 0.00140 -0.00721 AFIX 137 H16A 2 0.021629 0.144094 -0.073074 11.00000 -1.50000 H16B 2 0.148436 0.038170 -0.082008 11.00000 -1.50000 H16C 2 0.177680 0.151576 -0.150392 11.00000 -1.50000 AFIX 0 C17 1 0.560575 0.168018 0.010144 11.00000 0.05486 0.03618 = 0.07376 -0.00975 0.00905 0.00982 AFIX 137 H17A 2 0.579373 0.203151 -0.058916 11.00000 -1.50000 H17B 2 0.584644 0.086276 0.007626 11.00000 -1.50000 H17C 2 0.645085 0.206283 0.069475 11.00000 -1.50000 AFIX 0 HKLF 4 REM exp_137_auto_a.res in P-1 REM R1 = 0.0761 for 3586 Fo > 4sig(Fo) and 0.0906 for all 4282 data REM 240 parameters refined using 0 restraints END WGHT 0.1519 1.2144 REM Highest difference peak 3.132, deepest hole -3.945, 1-sigma level 0.229 Q1 1 0.1726 0.6092 0.3434 11.00000 0.05 3.13 Q2 1 0.1505 0.4619 0.3264 11.00000 0.05 3.10 Q3 1 0.1453 0.5383 0.2460 11.00000 0.05 1.52 Q4 1 0.0769 0.4656 0.3942 11.00000 0.05 1.44 Q5 1 0.2846 0.6212 0.2951 11.00000 0.05 1.17 Q6 1 0.2035 0.5919 0.2442 11.00000 0.05 1.13 Q7 1 0.3091 0.2572 0.0424 11.00000 0.05 1.12 Q8 1 0.0751 0.5961 0.3961 11.00000 0.05 1.09 Q9 1 0.1689 0.5332 0.4119 11.00000 0.05 1.07 Q10 1 0.2444 0.4799 0.2642 11.00000 0.05 0.99 ; _shelx_res_checksum 15743 _shelx_hkl_file ; -9 1 -1 1.17 11.19 -9 1 0 44.07 13.54 -9 1 2 4.77 2.17 -9 2 -1 12.47 10.63 -9 2 0 54.63 12.50 -9 2 1 75.26 4.52 -9 2 2 14.36 2.47 -9 2 4 108.97 5.53 -9 3 0 26.03 2.32 -9 3 1 93.02 4.93 -9 3 2 12.57 2.21 -9 3 3 38.49 19.80 -9 3 4 79.69 21.18 -9 3 4 143.75 6.41 -9 3 5 13.34 16.99 -9 4 0 -0.13 1.04 -9 4 1 54.20 3.29 -9 4 2 5.06 1.64 -9 4 3 0.52 14.33 -9 4 4 24.34 15.62 -9 4 4 79.71 3.89 -9 4 5 4.74 12.45 -9 5 2 30.87 2.12 -8 -6 -1 -1.30 4.93 -8 -6 0 70.73 3.83 -8 -6 0 46.97 7.25 -8 -6 1 25.02 22.65 -8 -6 1 31.81 2.85 -8 -6 1 22.97 6.95 -8 -6 2 2.19 25.21 -8 -6 2 5.71 6.49 -8 -6 2 6.17 2.02 -8 -6 4 6.35 1.85 -8 -5 0 65.45 4.28 -8 -5 1 148.65 7.29 -8 -5 2 23.42 3.15 -8 -5 2 21.23 31.88 -8 -5 3 48.29 33.34 -8 -5 4 61.88 4.28 -8 -4 -4 -0.85 4.96 -8 -4 -3 65.30 8.61 -8 -4 -2 50.89 9.27 -8 -4 -1 27.27 9.59 -8 -4 0 245.67 10.36 -8 -4 0 162.87 15.41 -8 -4 1 152.73 7.59 -8 -4 1 85.72 12.88 -8 -4 2 36.46 3.95 -8 -4 2 24.97 10.50 -8 -4 2 57.25 37.26 -8 -4 3 94.59 12.70 -8 -4 3 126.77 40.10 -8 -4 4 122.91 14.20 -8 -4 4 203.11 9.07 -8 -3 -4 0.85 6.18 -8 -3 -3 28.74 8.57 -8 -3 -2 67.88 10.79 -8 -3 -2 119.92 20.63 -8 -3 -1 11.97 9.57 -8 -3 -1 18.12 19.93 -8 -3 0 117.08 14.59 -8 -3 0 149.36 25.44 -8 -3 1 83.72 5.68 -8 -3 1 41.21 11.89 -8 -3 2 4.40 3.09 -8 -3 2 -7.03 10.63 -8 -3 3 145.84 14.97 -8 -3 4 31.07 11.24 -8 -3 4 82.18 5.55 -8 -2 -4 16.31 14.09 -8 -2 -4 4.87 6.60 -8 -2 -3 13.76 16.43 -8 -2 -2 399.50 28.90 -8 -2 -2 172.71 15.34 -8 -2 -1 8.88 20.66 -8 -2 -1 4.20 9.64 -8 -2 0 11.82 10.53 -8 -2 1 169.44 8.47 -8 -2 1 64.87 13.14 -8 -2 2 -2.80 22.28 -8 -2 2 2.67 3.16 -8 -2 2 3.44 10.36 -8 -2 3 28.02 11.32 -8 -2 4 120.86 14.45 -8 -2 6 72.31 6.99 -8 -2 7 65.04 6.45 -8 -2 8 4.24 3.80 -8 -1 -5 155.62 15.24 -8 -1 -4 52.37 8.31 -8 -1 -4 114.26 17.94 -8 -1 -3 1.32 8.01 -8 -1 -3 13.15 17.99 -8 -1 -2 200.07 16.08 -8 -1 -2 405.39 30.01 -8 -1 -1 5.89 9.97 -8 -1 -1 23.19 21.15 -8 -1 0 -4.17 10.60 -8 -1 0 6.95 3.28 -8 -1 1 214.56 10.71 -8 -1 1 202.01 28.08 -8 -1 2 32.72 4.79 -8 -1 2 33.69 23.60 -8 -1 2 38.61 36.23 -8 -1 2 12.16 10.97 -8 -1 3 -9.14 22.75 -8 -1 3 23.44 35.10 -8 -1 3 -4.88 10.97 -8 -1 4 349.75 24.29 -8 -1 4 333.84 49.80 -8 -1 5 9.35 34.91 -8 -1 6 2.44 4.48 -8 -1 7 168.73 10.25 -8 -1 8 39.27 5.22 -8 -1 9 6.46 3.38 -8 0 -5 125.92 15.58 -8 0 -4 64.19 17.00 -8 0 -3 4.65 7.23 -8 0 -3 6.45 18.45 -8 0 -2 243.01 26.53 -8 0 -2 195.76 9.18 -8 0 -1 83.78 12.38 -8 0 -1 188.56 9.11 -8 0 0 8.29 10.18 -8 0 0 33.82 4.44 -8 0 1 175.65 27.41 -8 0 1 92.48 13.31 -8 0 1 137.03 38.79 -8 0 1 156.89 8.91 -8 0 2 251.46 30.22 -8 0 2 163.73 16.72 -8 0 2 175.92 42.44 -8 0 3 14.81 22.05 -8 0 3 6.18 10.42 -8 0 3 45.15 37.54 -8 0 4 175.03 16.71 -8 0 4 177.64 44.21 -8 0 5 254.51 12.00 -8 0 5 147.02 40.39 -8 0 6 4.38 7.23 -8 0 7 92.60 10.91 -8 0 7 60.87 31.83 -8 0 7 93.66 7.52 -8 0 8 75.21 6.53 -8 0 9 -1.57 3.25 -8 1 -5 108.87 15.60 -8 1 -4 8.37 15.56 -8 1 -3 0.36 18.33 -8 1 -2 266.47 28.15 -8 1 -2 276.05 12.24 -8 1 -1 116.66 7.26 -8 1 0 10.06 21.68 -8 1 0 3.71 8.40 -8 1 0 11.45 30.35 -8 1 0 17.31 3.78 -8 1 1 212.80 27.94 -8 1 1 130.02 13.94 -8 1 1 170.71 40.09 -8 1 1 243.84 11.35 -8 1 2 159.67 26.11 -8 1 2 100.54 12.80 -8 1 2 121.31 40.18 -8 1 2 162.45 9.15 -8 1 3 -11.79 20.46 -8 1 3 -6.32 9.70 -8 1 3 22.20 35.98 -8 1 4 212.04 45.75 -8 1 4 301.83 13.97 -8 1 5 133.61 40.70 -8 1 5 143.83 8.22 -8 1 6 7.08 7.31 -8 1 6 4.20 2.60 -8 1 7 80.48 9.90 -8 1 7 38.10 31.04 -8 1 8 97.03 10.31 -8 1 8 109.43 7.44 -8 1 9 3.61 3.15 -8 2 -5 39.55 13.18 -8 2 -4 69.96 17.21 -8 2 -3 0.85 1.94 -8 2 -2 76.21 5.34 -8 2 -1 169.27 9.04 -8 2 0 4.03 3.25 -8 2 0 -6.58 21.13 -8 2 0 -34.94 29.93 -8 2 1 189.99 10.28 -8 2 1 140.84 25.49 -8 2 1 156.38 38.90 -8 2 2 98.34 7.28 -8 2 2 66.16 22.66 -8 2 2 105.96 37.79 -8 2 3 36.97 34.94 -8 2 4 147.73 41.95 -8 2 4 234.84 11.68 -8 2 5 62.30 36.06 -8 2 5 64.83 5.40 -8 2 6 -5.10 7.08 -8 2 6 1.46 2.37 -8 2 7 182.84 13.15 -8 2 7 168.78 35.73 -8 2 8 57.38 8.31 -8 2 8 49.94 26.30 -8 2 9 1.13 2.84 -8 3 -5 9.64 11.23 -8 3 -3 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52.56 0 9 6 280.40 13.43 0 9 7 52.72 7.83 0 9 8 475.25 21.58 0 9 9 209.51 11.87 0 9 10 32.53 8.60 0 9 11 75.12 7.99 0 9 12 51.32 5.05 0 10 -11 8.27 7.35 0 10 -10 40.05 10.94 0 10 -10 36.86 6.82 0 10 -9 60.16 9.52 0 10 -8 29.56 9.65 0 10 -7 115.28 14.34 0 10 -5 82.76 7.14 0 10 -3 269.70 19.05 0 10 -2 201.36 16.89 0 10 -1 468.60 27.60 0 10 0 101.70 11.80 0 10 1 22.22 7.31 0 10 2 746.19 36.30 0 10 3 161.02 14.57 0 10 4 8.98 6.93 0 10 5 589.98 30.11 0 10 5 609.15 24.58 0 10 6 84.94 13.05 0 10 7 11.62 5.17 0 11 -9 21.00 8.75 0 11 -9 15.09 5.94 0 11 -8 0.74 7.19 0 11 -7 5.68 8.58 0 11 -5 19.06 4.38 0 11 -4 64.94 6.59 0 11 -3 131.17 9.43 0 11 -1 49.30 9.82 0 11 0 224.24 18.52 0 11 2 132.43 13.21 0 11 3 273.62 14.43 0 11 4 134.38 8.98 0 11 4 96.05 13.53 0 11 5 152.95 8.90 0 11 5 125.34 13.86 0 11 6 198.58 15.38 0 11 7 15.41 8.06 0 12 -8 18.81 5.46 0 12 -7 2.93 6.41 0 12 -6 34.27 8.94 0 12 -5 59.21 5.23 0 12 -4 70.84 6.14 0 12 -3 64.37 6.37 0 12 -2 32.09 5.66 0 12 -1 268.88 14.05 0 12 0 155.05 10.33 0 12 2 97.89 8.01 0 12 3 38.49 5.52 0 12 3 46.02 10.11 0 12 4 17.28 4.26 0 12 4 6.19 8.40 0 12 5 58.90 9.52 0 12 6 57.55 8.52 0 12 7 37.65 6.93 0 12 8 25.82 5.20 0 13 -7 4.12 3.72 0 13 -6 87.28 8.35 0 13 -5 22.25 2.78 0 13 -5 25.13 7.43 0 13 -4 41.54 4.21 0 13 -3 279.79 12.74 0 13 -2 84.17 6.54 0 13 -1 90.92 6.94 0 13 0 143.99 8.84 0 13 2 73.15 6.01 0 13 2 48.51 8.63 0 13 3 98.58 6.39 0 13 3 71.22 9.04 0 13 4 150.28 10.75 0 13 5 7.45 5.44 0 13 6 40.66 5.62 0 14 -5 2.25 3.13 0 14 -4 6.36 4.68 0 14 -3 188.12 8.21 0 14 -2 19.24 3.10 0 14 -1 20.54 3.38 0 14 0 304.39 12.84 0 14 2 15.09 2.86 1 -14 -3 75.71 4.36 1 -14 -2 63.73 4.31 1 -14 -1 17.65 3.16 1 -14 0 53.90 4.34 1 -14 2 4.51 2.55 1 -14 3 56.08 3.64 1 -13 -4 161.93 7.88 1 -13 -3 9.44 3.64 1 -13 -2 128.77 7.67 1 -13 -1 161.14 8.88 1 -13 0 24.94 4.62 1 -13 2 171.98 9.12 1 -13 3 23.94 4.26 1 -12 -7 52.98 24.27 1 -12 -6 17.92 25.83 1 -12 -5 631.17 23.32 1 -12 -5 330.16 44.73 1 -12 -4 289.69 13.17 1 -12 -3 73.06 6.41 1 -12 -2 462.30 19.63 1 -12 -1 150.11 9.46 1 -12 0 1.92 4.71 1 -12 2 176.24 10.17 1 -12 3 -0.44 4.19 1 -12 4 79.52 6.32 1 -12 5 87.38 31.51 1 -12 6 10.25 27.58 1 -12 7 28.13 24.25 1 -11 -7 52.47 28.58 1 -11 -6 73.84 33.46 1 -11 -5 219.84 40.76 1 -11 -5 355.75 15.26 1 -11 -4 109.48 38.51 1 -11 -4 219.56 11.29 1 -11 -3 31.10 35.43 1 -11 -3 1.64 4.63 1 -11 -2 502.25 26.33 1 -11 -2 512.10 21.44 1 -11 -1 378.03 17.36 1 -11 -1 373.63 22.05 1 -11 0 -0.67 4.88 1 -11 0 -3.47 7.36 1 -11 2 156.38 9.92 1 -11 2 150.69 13.42 1 -11 3 66.57 6.77 1 -11 4 723.57 28.45 1 -11 5 274.61 12.90 1 -11 6 14.36 35.76 1 -11 7 198.05 35.65 1 -11 8 102.85 29.47 1 -10 -11 30.50 16.11 1 -10 -10 42.99 21.91 1 -10 -7 111.41 34.05 1 -10 -6 11.95 31.41 1 -10 -5 128.92 8.19 1 -10 -5 155.76 38.28 1 -10 -5 101.94 12.46 1 -10 -4 322.95 19.82 1 -10 -4 354.14 15.69 1 -10 -4 314.30 22.41 1 -10 -3 1.02 6.63 1 -10 -3 -1.00 34.74 1 -10 -3 6.27 4.79 1 -10 -2 244.61 17.74 1 -10 -2 281.22 13.89 1 -10 -1 296.06 19.12 1 -10 -1 303.15 14.81 1 -10 0 44.94 8.46 1 -10 0 50.93 6.48 1 -10 2 471.59 25.44 1 -10 2 467.97 20.44 1 -10 3 7.63 6.30 1 -10 3 3.00 4.79 1 -10 4 512.04 26.40 1 -10 4 461.34 26.00 1 -10 4 540.49 21.86 1 -10 5 378.46 16.29 1 -10 5 316.38 20.80 1 -10 7 145.84 39.91 1 -10 8 201.08 38.35 1 -9 -12 13.50 14.54 1 -9 -11 9.19 20.40 1 -9 -10 121.44 28.74 1 -9 -7 62.44 34.12 1 -9 -7 68.85 9.88 1 -9 -6 87.37 37.36 1 -9 -6 178.31 15.37 1 -9 -5 248.37 12.23 1 -9 -5 248.79 18.99 1 -9 -5 239.70 15.90 1 -9 -5 272.21 43.67 1 -9 -4 111.37 8.00 1 -9 -4 114.83 13.66 1 -9 -4 111.00 11.15 1 -9 -4 82.44 35.97 1 -9 -3 91.87 36.43 1 -9 -3 177.55 10.15 1 -9 -2 270.22 42.74 1 -9 -2 96.33 7.64 1 -9 -1 300.16 46.54 1 -9 -1 343.25 15.73 1 -9 0 228.76 12.01 1 -9 2 178.49 10.35 1 -9 3 128.03 8.82 1 -9 4 184.33 10.46 1 -9 4 185.11 12.24 1 -9 4 173.91 13.90 1 -9 5 390.43 16.81 1 -9 5 381.76 21.01 1 -9 5 341.18 18.66 1 -9 6 36.55 4.53 1 -9 6 31.51 7.00 1 -9 6 38.42 9.86 1 -9 7 71.14 8.57 1 -9 7 64.07 10.84 1 -9 8 242.61 14.53 1 -9 9 3.82 5.29 1 -9 10 42.60 6.23 1 -8 -12 23.67 19.69 1 -8 -11 -3.13 23.78 1 -8 -10 141.63 34.68 1 -8 -8 3.28 5.05 1 -8 -7 197.97 15.58 1 -8 -6 461.56 26.21 1 -8 -5 108.60 7.32 1 -8 -5 91.49 12.26 1 -8 -4 371.58 16.15 1 -8 -4 349.02 44.82 1 -8 -3 504.21 20.29 1 -8 -3 333.05 44.63 1 -8 -2 25.77 4.73 1 -8 -2 150.30 35.36 1 -8 -1 838.27 61.10 1 -8 0 956.99 67.80 1 -8 1 40.56 34.17 1 -8 2 335.98 16.02 1 -8 2 315.13 14.64 1 -8 3 732.85 32.09 1 -8 3 853.93 31.03 1 -8 4 201.03 12.69 1 -8 4 217.49 11.13 1 -8 5 61.94 5.92 1 -8 5 48.62 7.54 1 -8 5 61.32 8.37 1 -8 6 109.90 9.95 1 -8 7 76.33 8.97 1 -8 7 85.26 12.34 1 -8 8 145.69 11.67 1 -8 8 168.32 15.76 1 -8 9 102.58 9.80 1 -8 9 91.63 41.55 1 -8 10 12.32 5.80 1 -7 -13 39.39 18.22 1 -7 -12 76.17 25.48 1 -7 -11 5.98 26.94 1 -7 -8 63.09 8.77 1 -7 -7 344.50 20.69 1 -7 -6 1286.85 54.09 1 -7 -5 14.29 7.16 1 -7 -4 691.53 63.41 1 -7 -4 1177.88 41.45 1 -7 3 217.96 12.06 1 -7 4 34.58 4.54 1 -7 4 23.79 5.66 1 -7 5 222.96 10.93 1 -7 5 222.33 12.99 1 -7 6 413.14 20.06 1 -7 7 9.67 8.87 1 -7 7 6.52 5.91 1 -7 8 140.55 45.59 1 -7 8 116.04 10.32 1 -7 9 203.03 46.08 1 -7 9 230.12 14.42 1 -7 12 148.52 9.51 1 -7 13 10.46 3.26 1 -6 -8 125.39 11.13 1 -6 -7 36.51 7.21 1 -6 -6 731.27 33.64 1 -6 -5 99.26 10.80 1 -6 4 42.87 5.72 1 -6 5 888.42 35.01 1 -6 6 446.96 20.32 1 -6 6 433.40 20.22 1 -6 7 43.09 42.66 1 -6 7 81.52 8.60 1 -6 8 579.46 55.72 1 -6 8 540.88 24.81 1 -6 9 228.49 18.79 1 -6 9 220.62 47.81 1 -6 12 118.10 9.02 1 -6 13 1.23 3.84 1 -5 -8 89.94 8.92 1 -5 -7 68.31 8.03 1 -5 -6 530.36 25.14 1 -5 -5 76.06 8.77 1 -5 6 656.29 28.30 1 -5 6 797.17 29.46 1 -5 7 49.52 6.57 1 -5 7 20.03 39.65 1 -5 8 540.19 52.38 1 -5 8 377.86 24.32 1 -5 9 554.82 53.07 1 -5 9 385.95 24.94 1 -5 10 -0.31 8.55 1 -5 11 436.09 21.13 1 -5 12 458.61 21.04 1 -5 13 13.91 4.78 1 -4 -8 508.42 23.38 1 -4 -7 46.95 6.38 1 -4 -6 410.71 19.70 1 -4 -5 458.25 21.56 1 -4 6 992.67 37.79 1 -4 7 71.17 6.66 1 -4 8 138.05 42.14 1 -4 8 99.90 8.34 1 -4 8 99.82 12.36 1 -4 9 491.95 52.94 1 -4 9 530.37 29.05 1 -4 10 10.74 6.24 1 -4 10 10.45 8.61 1 -4 11 145.67 11.13 1 -4 12 482.56 22.11 1 -4 13 7.47 4.78 1 -3 -8 340.75 16.47 1 -3 -7 8.63 3.81 1 -3 -6 523.94 22.33 1 -3 -5 1299.04 48.60 1 -3 7 741.78 29.77 1 -3 7 855.65 35.48 1 -3 8 20.73 37.19 1 -3 8 53.83 9.92 1 -3 8 40.89 7.36 1 -3 8 53.52 6.58 1 -3 8 53.57 6.30 1 -3 9 190.20 13.16 1 -3 9 182.59 11.53 1 -3 9 180.63 15.87 1 -3 9 200.22 12.24 1 -3 10 130.14 10.04 1 -3 10 109.56 13.11 1 -3 10 129.44 10.37 1 -3 11 2.61 5.85 1 -3 11 1.25 5.71 1 -3 12 111.84 9.49 1 -3 13 111.90 8.55 1 -2 -7 302.72 13.94 1 -2 -6 925.24 34.74 1 -2 -5 1392.49 50.28 1 -2 -4 559.84 22.21 1 -2 3 2651.16 92.69 1 -2 4 649.83 25.79 1 -2 5 4.02 3.37 1 -2 6 1574.64 59.08 1 -2 7 1218.57 47.97 1 -2 7 1207.97 46.92 1 -2 7 1146.27 43.97 1 -2 8 13.19 4.90 1 -2 8 7.76 4.44 1 -2 8 22.44 6.59 1 -2 8 17.95 5.22 1 -2 8 16.53 7.82 1 -2 9 752.64 34.70 1 -2 9 789.01 31.62 1 -2 9 744.01 35.39 1 -2 9 747.32 30.81 1 -2 9 766.73 32.29 1 -2 10 266.34 16.38 1 -2 10 287.76 18.35 1 -2 10 295.00 15.70 1 -2 10 277.29 15.18 1 -2 11 74.87 8.39 1 -2 11 69.91 9.49 1 -2 11 72.99 8.27 1 -2 12 235.21 13.87 1 -2 12 266.23 14.36 1 -2 13 304.22 15.04 1 -1 -5 3578.65 122.95 1 -1 -4 194.06 8.56 1 -1 1 9890.61 335.09 1 -1 2 293.13 11.90 1 -1 3 1802.59 63.63 1 -1 4 470.93 19.46 1 -1 5 4.82 3.37 1 -1 6 1599.22 60.34 1 -1 6 1641.34 60.66 1 -1 7 684.72 30.05 1 -1 7 715.20 30.67 1 -1 8 260.36 16.44 1 -1 8 261.11 14.59 1 -1 8 285.76 16.18 1 -1 8 252.46 13.26 1 -1 9 1333.96 52.79 1 -1 9 1415.37 55.85 1 -1 9 1364.72 55.13 1 -1 9 1350.29 51.50 1 -1 9 1414.99 52.13 1 -1 10 334.98 18.61 1 -1 10 296.31 19.31 1 -1 10 337.13 17.03 1 -1 10 343.95 17.29 1 -1 11 436.12 22.97 1 -1 11 459.85 25.41 1 -1 11 486.34 22.02 1 -1 11 478.75 21.95 1 -1 12 276.87 14.66 1 -1 12 231.93 15.50 1 -1 12 275.64 14.91 1 -1 13 305.38 15.26 1 -1 13 294.02 14.73 1 0 -3 77.55 3.44 1 0 1 1288.53 44.57 1 0 2 933.91 33.44 1 0 3 251.66 11.24 1 0 4 1890.61 67.54 1 0 5 274.53 13.67 1 0 6 15.43 6.49 1 0 6 13.78 4.59 1 0 7 1808.95 68.80 1 0 7 1928.48 70.24 1 0 8 65.94 7.78 1 0 8 57.48 8.02 1 0 8 63.50 6.78 1 0 8 63.73 8.21 1 0 9 367.18 20.21 1 0 9 330.41 16.58 1 0 9 319.26 17.96 1 0 10 810.13 33.54 1 0 10 822.01 37.62 1 0 10 828.25 33.55 1 0 10 803.59 35.02 1 0 11 273.54 14.95 1 0 11 266.51 17.97 1 0 11 239.34 16.39 1 0 11 261.38 15.02 1 0 12 219.85 12.95 1 0 12 223.32 13.28 1 0 12 201.73 14.41 1 0 13 396.10 17.97 1 0 13 345.54 18.18 1 1 -12 -2.61 11.51 1 1 -11 933.53 44.93 1 1 -10 399.81 26.20 1 1 4 1166.82 42.04 1 1 5 759.20 30.01 1 1 5 724.93 28.39 1 1 6 256.26 13.44 1 1 6 301.10 15.18 1 1 7 512.74 23.26 1 1 7 436.81 19.60 1 1 8 147.70 11.82 1 1 8 166.48 11.81 1 1 8 159.75 10.13 1 1 9 229.18 15.46 1 1 9 206.91 12.49 1 1 9 187.79 13.91 1 1 10 395.77 22.66 1 1 10 358.12 20.59 1 1 10 403.48 19.34 1 1 11 9.36 5.44 1 1 11 9.30 8.38 1 1 11 8.97 5.51 1 1 11 11.54 6.37 1 1 12 69.06 10.20 1 1 12 95.68 9.07 1 1 12 77.87 7.91 1 1 13 350.73 16.39 1 1 13 287.28 16.51 1 1 14 8.85 4.62 1 2 -13 105.98 14.72 1 2 -12 -6.65 12.95 1 2 -11 898.94 44.43 1 2 -2 3859.15 131.69 1 2 0 13.13 1.42 1 2 7 47.21 6.07 1 2 7 57.70 8.21 1 2 7 50.10 6.97 1 2 8 684.74 29.11 1 2 8 707.23 32.85 1 2 8 755.99 31.40 1 2 9 24.28 8.61 1 2 9 41.31 7.42 1 2 9 43.47 7.27 1 2 10 138.67 13.08 1 2 10 137.44 12.68 1 2 10 149.10 11.16 1 2 11 200.62 14.80 1 2 11 171.82 11.91 1 2 11 203.89 12.96 1 2 11 182.85 14.94 1 2 12 6.59 6.30 1 2 12 5.56 4.42 1 2 12 1.96 7.99 1 2 13 138.30 11.28 1 2 13 173.17 10.67 1 2 14 79.61 7.18 1 2 14 103.68 7.18 1 3 -14 32.00 9.47 1 3 -13 232.34 19.27 1 3 -12 9.36 13.32 1 3 -3 170.48 8.62 1 3 0 48.90 3.24 1 3 7 1452.97 54.44 1 3 7 1368.73 52.34 1 3 8 969.75 39.75 1 3 8 927.30 37.39 1 3 8 931.93 41.33 1 3 9 107.98 9.89 1 3 9 130.25 12.47 1 3 9 102.26 11.24 1 3 10 511.16 23.60 1 3 10 479.16 26.96 1 3 10 512.27 25.65 1 3 11 284.13 19.40 1 3 11 314.84 17.03 1 3 11 320.07 18.90 1 3 12 22.60 6.69 1 3 12 26.43 8.61 1 3 13 118.45 10.35 1 3 13 146.07 9.65 1 3 14 179.53 10.42 1 3 14 238.13 10.81 1 4 -14 13.70 8.71 1 4 -13 45.78 13.31 1 4 -12 24.04 14.32 1 4 -4 801.92 30.85 1 4 -3 8.40 4.24 1 4 -2 824.68 30.93 1 4 -1 2355.46 81.66 1 4 0 15.06 2.88 1 4 1 1073.29 38.29 1 4 6 105.76 10.90 1 4 7 561.90 26.90 1 4 8 984.15 43.81 1 4 8 986.76 41.89 1 4 9 167.27 14.64 1 4 9 208.20 15.79 1 4 10 389.23 22.68 1 4 10 317.65 20.41 1 4 11 267.01 17.70 1 4 12 203.81 14.27 1 4 13 204.76 12.57 1 4 14 109.58 6.97 1 5 -14 7.41 7.96 1 5 -13 42.23 12.42 1 5 -12 149.24 18.58 1 5 -5 271.80 14.13 1 5 -4 314.51 15.38 1 5 -3 270.67 14.06 1 5 -2 235.22 12.80 1 5 -2 299.02 12.89 1 5 -1 531.20 22.51 1 5 -1 555.29 21.29 1 5 0 175.92 8.62 1 5 1 497.65 19.56 1 5 6 200.74 15.20 1 5 7 11.10 8.48 1 5 8 639.91 30.99 1 5 9 147.92 14.11 1 5 9 113.79 12.46 1 5 10 35.50 10.22 1 5 10 39.56 7.84 1 5 11 412.45 22.17 1 5 12 25.32 7.92 1 5 13 57.85 7.29 1 6 -14 4.18 6.47 1 6 -13 76.44 12.89 1 6 -12 78.43 15.74 1 6 -9 249.62 18.37 1 6 -8 1.53 8.69 1 6 -7 472.13 26.06 1 6 -5 27.64 5.72 1 6 -4 477.51 22.14 1 6 -3 1022.29 36.59 1 6 -3 818.83 36.89 1 6 -2 7.01 3.63 1 6 -2 6.12 4.65 1 6 -1 416.94 17.23 1 6 -1 379.35 18.60 1 6 0 1133.76 41.59 1 6 1 194.66 9.95 1 6 6 487.22 25.72 1 6 7 117.06 13.62 1 6 8 73.02 12.25 1 6 8 92.36 9.72 1 6 9 172.81 15.22 1 6 9 207.05 16.43 1 6 9 183.51 13.06 1 6 10 9.74 9.27 1 6 10 17.75 6.75 1 6 11 200.21 12.02 1 6 11 158.95 13.45 1 6 12 26.69 5.63 1 6 12 25.81 7.21 1 6 13 14.60 3.97 1 6 13 5.37 4.96 1 7 -13 32.08 9.65 1 7 -12 109.97 15.55 1 7 -9 139.12 14.15 1 7 -8 -2.43 8.90 1 7 -7 806.64 38.52 1 7 -4 1285.61 50.68 1 7 -3 482.23 23.49 1 7 -1 806.04 33.77 1 7 0 627.23 27.88 1 7 6 824.40 38.17 1 7 7 4.80 9.96 1 7 8 21.72 7.23 1 7 8 13.48 10.28 1 7 9 373.98 22.88 1 7 9 421.84 20.42 1 7 10 8.06 9.01 1 7 10 22.67 6.71 1 7 11 76.52 9.89 1 7 11 111.83 8.38 1 7 12 183.21 12.06 1 7 12 252.43 11.36 1 8 -13 12.09 6.64 1 8 -12 67.52 12.19 1 8 -9 128.81 13.16 1 8 -8 -2.71 8.66 1 8 -7 89.18 13.07 1 8 -3 793.00 35.33 1 8 -2 18.70 6.76 1 8 -1 716.91 31.82 1 8 0 786.25 34.46 1 8 1 113.83 10.73 1 8 6 860.93 39.95 1 8 7 43.59 11.63 1 8 8 115.02 10.46 1 8 8 101.11 13.35 1 8 9 381.14 18.42 1 8 9 321.43 20.55 1 8 10 27.99 6.03 1 8 10 42.81 9.05 1 8 11 193.19 9.90 1 8 11 135.91 11.18 1 8 12 127.87 6.50 1 8 12 94.47 7.47 1 9 -12 5.69 7.91 1 9 -11 32.22 11.32 1 9 -9 78.35 10.44 1 9 -8 25.72 9.68 1 9 -7 3.16 9.30 1 9 -2 -0.26 6.37 1 9 0 709.74 32.81 1 9 1 14.27 6.36 1 9 2 8.73 6.27 1 9 6 317.24 21.72 1 9 7 6.02 10.22 1 9 8 73.85 8.16 1 9 8 50.83 10.78 1 9 9 238.47 16.76 1 9 9 294.02 14.39 1 9 10 33.79 7.52 1 9 10 29.03 5.10 1 9 11 79.39 7.21 1 10 -8 63.69 9.92 1 10 -7 14.41 9.62 1 10 -6 53.24 5.56 1 10 3 84.27 10.47 1 10 4 11.78 6.58 1 10 5 25.55 11.13 1 10 6 200.22 16.93 1 10 7 10.01 9.34 1 10 7 5.25 5.51 1 10 8 6.94 8.10 1 10 8 11.33 5.27 1 10 9 216.67 14.19 1 10 9 283.33 12.44 1 10 10 1.36 4.91 1 11 -10 1.80 6.45 1 11 -8 39.61 7.36 1 11 -7 2.59 7.48 1 11 -6 153.10 8.39 1 11 -5 197.87 10.74 1 11 6 92.21 11.21 1 11 7 193.92 13.52 1 11 8 10.25 6.36 1 11 9 53.16 6.09 1 12 -7 3.23 5.39 1 12 -6 89.94 10.11 1 12 -5 239.88 11.19 1 12 -4 29.08 4.66 1 12 3 354.00 16.01 1 12 4 160.34 8.79 1 12 8 1.75 3.79 1 13 -6 6.62 4.10 1 13 -5 35.35 6.97 1 13 -5 76.58 4.24 1 13 -4 1.54 2.76 1 13 -3 70.75 5.54 1 13 -2 214.81 10.72 1 13 -1 5.53 3.79 1 13 0 72.48 6.10 1 13 2 31.34 8.06 1 13 2 15.66 3.76 1 13 3 185.92 13.20 1 13 3 246.51 10.60 1 13 4 170.71 11.25 1 14 -3 -0.82 4.36 1 14 -3 1.18 1.89 1 14 -2 61.52 4.21 1 14 -1 9.48 2.64 1 14 0 -0.25 4.81 1 14 1 101.36 7.70 1 14 2 1.46 4.42 1 14 2 6.16 2.13 1 14 3 16.88 4.06 2 -14 -3 97.58 4.86 2 -14 -2 71.29 4.43 2 -14 -1 111.32 5.85 2 -14 0 86.30 5.10 2 -14 2 124.65 5.95 2 -13 -4 430.81 16.73 2 -13 -3 41.47 4.42 2 -13 -2 13.47 3.81 2 -13 -1 329.82 14.25 2 -13 0 21.70 4.25 2 -13 2 223.15 10.47 2 -13 3 108.11 6.29 2 -13 4 33.38 23.46 2 -13 5 56.38 21.31 2 -13 6 35.74 16.71 2 -12 -8 21.17 18.63 2 -12 -7 12.91 21.92 2 -12 -6 30.76 25.20 2 -12 -5 72.48 29.42 2 -12 -5 72.93 5.44 2 -12 -4 235.65 11.24 2 -12 -3 47.70 5.47 2 -12 -2 48.94 5.71 2 -12 -1 368.01 16.45 2 -12 0 57.77 6.23 2 -12 2 447.90 18.94 2 -12 3 61.05 5.85 2 -12 4 13.67 3.83 2 -12 5 245.06 34.30 2 -11 -10 7.82 15.31 2 -11 -9 61.94 22.12 2 -11 -8 -3.54 23.39 2 -11 -7 13.22 25.97 2 -11 -6 96.25 32.78 2 -11 -5 10.75 4.15 2 -11 -5 4.23 30.35 2 -11 -4 43.85 5.49 2 -11 -4 25.05 33.10 2 -11 -3 267.52 13.27 2 -11 -2 9.30 4.80 2 -11 -1 197.30 11.20 2 -11 0 293.42 14.45 2 -11 2 175.95 10.37 2 -11 3 212.79 11.34 2 -11 4 1.12 4.01 2 -10 -11 13.93 15.46 2 -10 -10 62.06 22.45 2 -10 -9 75.73 26.56 2 -10 -8 37.68 28.28 2 -10 -7 145.34 35.81 2 -10 -6 68.06 32.72 2 -10 -5 195.13 10.00 2 -10 -5 134.39 14.46 2 -10 -4 177.30 39.61 2 -10 -4 164.48 9.69 2 -10 -3 268.25 45.39 2 -10 -3 424.24 18.28 2 -10 -2 49.91 35.89 2 -10 -2 159.47 9.67 2 -10 -1 135.55 40.52 2 -10 -1 74.42 7.04 2 -10 0 329.03 15.63 2 -10 2 6.89 4.77 2 -10 3 465.64 20.02 2 -10 4 1.61 5.76 2 -10 4 0.76 4.26 2 -10 5 67.02 6.05 2 -10 6 140.58 10.14 2 -10 7 1.84 4.75 2 -10 7 40.02 35.84 2 -10 8 52.63 32.33 2 -9 -11 4.46 19.93 2 -9 -10 57.35 25.91 2 -9 -9 113.91 31.63 2 -9 -8 39.07 31.11 2 -9 -7 79.75 33.13 2 -9 -6 436.60 24.60 2 -9 -6 197.50 42.37 2 -9 -5 304.84 22.08 2 -9 -5 367.94 15.60 2 -9 -4 41.82 5.57 2 -9 -4 38.50 33.74 2 -9 -3 463.92 49.57 2 -9 -2 171.18 38.33 2 -9 -1 364.46 47.95 2 -9 0 643.95 59.28 2 -9 3 623.88 23.89 2 -9 3 518.85 24.50 2 -9 4 117.78 7.85 2 -9 4 85.90 8.64 2 -9 5 50.91 5.54 2 -9 5 41.09 7.19 2 -9 5 41.29 7.15 2 -9 6 137.11 10.64 2 -9 7 62.05 40.85 2 -9 7 47.01 7.26 2 -9 8 22.32 37.19 2 -9 8 21.14 5.98 2 -9 9 135.97 34.58 2 -9 9 153.23 10.10 2 -9 10 17.77 4.67 2 -8 -13 8.76 12.74 2 -8 -11 15.95 24.78 2 -8 -9 122.85 36.48 2 -8 -8 -20.17 31.89 2 -8 -7 49.81 8.36 2 -8 -7 20.28 32.87 2 -8 -6 249.80 45.28 2 -8 -6 566.06 28.40 2 -8 -5 173.01 9.52 2 -8 -4 23.69 29.66 2 -8 -3 617.50 55.99 2 -8 -2 -6.87 29.92 2 -8 -1 244.45 37.95 2 -8 0 842.46 61.19 2 -8 2 20.97 5.05 2 -8 3 1167.18 44.65 2 -8 4 159.67 10.85 2 -8 5 6.00 5.39 2 -8 5 2.61 3.76 2 -8 6 161.11 11.49 2 -8 7 221.25 14.22 2 -8 7 300.74 20.58 2 -8 7 242.32 47.08 2 -8 8 32.81 40.27 2 -8 8 9.08 6.07 2 -8 9 178.24 39.94 2 -8 9 191.35 12.30 2 -8 10 98.39 8.44 2 -8 11 23.29 4.83 2 -8 12 65.76 4.96 2 -7 -13 -16.38 17.92 2 -7 -7 54.54 8.58 2 -7 -6 43.77 8.59 2 -7 -4 84.27 30.33 2 -7 2 -0.82 3.99 2 -7 3 822.65 32.46 2 -7 4 40.44 6.23 2 -7 5 6.10 5.24 2 -7 6 490.77 22.60 2 -7 7 124.01 10.32 2 -7 7 72.85 45.14 2 -7 8 43.32 7.57 2 -7 8 43.75 10.55 2 -7 8 32.21 42.57 2 -7 9 430.47 50.34 2 -7 9 528.12 24.09 2 -7 10 40.73 6.90 2 -7 11 16.38 5.40 2 -6 -14 9.92 14.10 2 -6 -13 9.93 21.94 2 -6 -7 34.36 6.80 2 -6 -6 346.61 20.17 2 -6 4 478.11 20.64 2 -6 5 4.20 4.56 2 -6 6 402.61 19.02 2 -6 7 206.86 12.83 2 -6 7 192.82 47.21 2 -6 8 5.97 5.65 2 -6 8 5.36 8.69 2 -6 8 -22.21 42.44 2 -6 9 693.57 28.87 2 -6 9 612.98 33.55 2 -6 10 143.56 11.05 2 -6 11 -0.94 5.34 2 -5 -14 22.69 18.72 2 -5 -7 395.97 20.00 2 -5 -6 537.52 25.46 2 -5 5 0.96 3.99 2 -5 6 212.03 11.98 2 -5 7 1165.54 68.25 2 -5 7 1113.76 43.47 2 -5 8 27.90 10.05 2 -5 8 62.87 42.72 2 -5 8 41.02 6.95 2 -5 9 70.20 11.86 2 -5 9 89.00 42.85 2 -5 9 94.35 9.14 2 -5 10 281.57 15.82 2 -5 13 100.71 7.04 2 -4 -7 220.09 12.54 2 -4 -6 138.59 9.94 2 -4 6 150.78 9.51 2 -4 7 574.10 49.03 2 -4 7 487.83 21.86 2 -4 8 308.18 15.72 2 -4 8 263.12 14.13 2 -4 8 292.32 20.05 2 -4 9 4.98 5.62 2 -4 9 1.47 8.35 2 -4 10 188.25 16.32 2 -4 12 1.27 5.07 2 -4 13 89.27 7.06 2 -3 -6 146.95 8.94 2 -3 6 37.60 5.35 2 -3 7 776.02 29.89 2 -3 7 699.43 28.36 2 -3 8 814.59 33.15 2 -3 8 869.15 56.39 2 -3 8 792.51 31.84 2 -3 8 846.46 37.93 2 -3 9 24.10 5.79 2 -3 9 21.32 8.88 2 -3 10 496.56 21.82 2 -3 10 458.65 26.11 2 -3 11 231.12 13.84 2 -3 12 5.31 5.38 2 -3 13 154.88 9.52 2 -3 14 105.97 6.17 2 -2 -6 409.74 16.44 2 -2 -5 665.79 25.38 2 -2 4 1691.44 61.64 2 -2 5 207.55 11.74 2 -2 6 7.56 3.89 2 -2 7 1523.30 55.64 2 -2 7 1356.14 51.14 2 -2 8 385.06 21.52 2 -2 8 382.91 20.36 2 -2 8 353.60 16.83 2 -2 9 4.32 5.08 2 -2 9 0.74 7.36 2 -2 10 729.24 29.72 2 -2 10 652.61 33.16 2 -2 10 747.88 30.93 2 -2 11 228.07 13.01 2 -2 11 228.04 13.75 2 -2 12 13.76 5.27 2 -2 12 13.58 5.31 2 -2 13 300.06 14.50 2 -1 -5 724.08 25.59 2 -1 2 902.14 32.78 2 -1 3 653.74 25.13 2 -1 4 132.85 8.05 2 -1 5 1297.26 48.86 2 -1 6 329.27 16.77 2 -1 7 45.49 8.03 2 -1 7 46.56 6.27 2 -1 7 44.49 5.64 2 -1 8 406.15 21.92 2 -1 8 435.22 22.18 2 -1 8 430.34 19.02 2 -1 9 0.42 6.53 2 -1 9 -0.74 5.37 2 -1 9 -1.00 4.18 2 -1 10 499.36 22.82 2 -1 10 540.70 27.21 2 -1 10 511.12 23.65 2 -1 11 158.67 10.88 2 -1 11 163.59 11.59 2 -1 12 13.03 5.48 2 -1 12 15.60 5.76 2 -1 13 363.10 16.57 2 0 1 1182.25 41.18 2 0 2 999.09 35.91 2 0 3 272.13 12.18 2 0 4 176.76 9.66 2 0 5 2203.77 79.61 2 0 6 363.15 17.93 2 0 7 200.98 12.61 2 0 7 189.56 12.22 2 0 7 166.49 10.13 2 0 8 591.90 24.58 2 0 8 629.32 28.38 2 0 8 544.86 26.21 2 0 9 21.37 5.76 2 0 9 12.96 5.57 2 0 10 56.46 7.90 2 0 10 48.92 8.47 2 0 10 67.01 9.03 2 0 10 66.63 7.97 2 0 11 239.65 13.74 2 0 11 235.71 14.08 2 0 12 2.83 5.27 2 0 12 2.65 5.11 2 0 13 92.45 7.53 2 0 13 92.38 7.40 2 1 3 1354.20 49.14 2 1 4 533.80 22.28 2 1 5 641.01 25.96 2 1 5 696.69 27.90 2 1 6 738.19 30.21 2 1 6 824.09 32.77 2 1 7 491.63 22.50 2 1 7 408.86 19.13 2 1 8 307.89 15.53 2 1 8 316.34 18.30 2 1 8 307.92 16.63 2 1 9 327.78 16.75 2 1 9 320.39 19.42 2 1 9 328.94 17.87 2 1 10 11.99 6.20 2 1 10 10.11 5.13 2 1 10 10.76 7.49 2 1 11 385.95 19.06 2 1 11 341.15 18.96 2 1 11 407.54 18.94 2 1 12 146.42 10.06 2 1 12 130.72 9.82 2 1 13 17.00 5.09 2 2 3 520.44 18.88 2 2 5 2276.00 83.09 2 2 6 1296.60 50.89 2 2 7 109.38 8.78 2 2 7 91.28 9.51 2 2 8 677.13 28.76 2 2 8 730.48 32.51 2 2 8 664.92 29.77 2 2 9 597.20 26.25 2 2 9 586.12 27.40 2 2 9 615.05 29.88 2 2 10 16.65 6.52 2 2 10 12.89 7.55 2 2 10 24.01 6.26 2 2 11 212.81 14.45 2 2 11 233.29 13.86 2 2 12 300.56 16.49 2 2 12 320.93 16.10 2 2 13 41.04 5.79 2 2 14 142.97 7.60 2 3 -13 26.62 10.90 2 3 -12 199.19 19.07 2 3 6 329.87 18.30 2 3 6 334.64 17.62 2 3 7 44.20 7.02 2 3 7 37.77 6.67 2 3 7 22.97 7.58 2 3 8 563.83 25.16 2 3 8 501.75 26.04 2 3 9 400.41 19.78 2 3 9 377.67 20.87 2 3 9 392.47 22.72 2 3 10 32.38 7.19 2 3 10 37.83 8.77 2 3 10 29.79 6.68 2 3 11 387.75 20.62 2 3 11 434.83 20.24 2 3 12 202.83 12.96 2 3 12 198.79 11.70 2 3 13 -0.72 4.36 2 3 14 242.90 10.57 2 4 -13 64.37 12.40 2 4 -12 150.35 17.66 2 4 6 628.99 28.69 2 4 7 46.84 7.72 2 4 7 54.97 9.46 2 4 8 136.22 12.28 2 4 8 108.28 12.33 2 4 8 125.58 10.83 2 4 9 462.06 25.68 2 4 9 481.65 22.64 2 4 9 445.24 24.04 2 4 10 2.21 7.94 2 4 10 3.82 6.45 2 4 11 151.30 12.65 2 4 11 212.70 12.66 2 4 12 218.48 13.42 2 4 12 261.62 13.26 2 4 13 2.64 3.99 2 5 -14 4.20 6.05 2 5 -13 19.99 10.77 2 5 -1 88.69 6.41 2 5 6 513.29 25.81 2 5 7 124.54 12.79 2 5 8 47.30 8.33 2 5 8 40.86 10.01 2 5 8 50.40 8.52 2 5 9 343.64 18.23 2 5 9 313.59 20.72 2 5 9 315.81 19.59 2 5 10 9.01 6.69 2 5 10 14.11 8.25 2 5 11 4.12 5.63 2 5 11 4.83 7.10 2 5 12 206.49 12.54 2 5 12 260.57 12.59 2 5 13 10.85 3.72 2 6 -13 11.52 9.78 2 6 6 342.13 20.87 2 6 7 488.29 25.96 2 6 8 71.47 11.63 2 6 8 88.51 10.62 2 6 8 85.85 9.94 2 6 9 194.20 13.22 2 6 9 178.39 14.97 2 6 10 247.29 14.35 2 6 10 240.05 15.86 2 6 11 18.75 6.96 2 6 11 34.87 6.19 2 6 12 99.19 8.33 2 6 12 167.60 8.67 2 7 -13 -3.33 7.92 2 7 6 917.84 41.15 2 7 7 325.75 20.77 2 7 8 9.68 9.32 2 7 9 162.46 14.13 2 7 10 165.69 12.59 2 7 11 -0.45 5.92 2 8 -13 11.88 5.64 2 8 -12 17.70 9.74 2 8 6 410.93 24.23 2 8 7 46.13 11.13 2 8 8 42.64 10.22 2 8 9 153.98 13.09 2 8 10 115.40 9.91 2 8 11 12.38 4.85 2 9 -12 9.34 6.96 2 9 5 17.69 10.48 2 9 6 36.79 11.26 2 9 7 191.91 15.65 2 9 8 25.68 6.46 2 9 8 19.10 8.52 2 9 9 35.80 5.85 2 9 9 18.97 7.24 2 9 10 139.48 9.76 2 9 10 192.22 9.22 2 10 -11 36.63 7.82 2 10 5 210.90 17.04 2 10 6 32.37 9.69 2 10 7 169.10 10.69 2 10 7 132.38 12.49 2 10 8 132.00 8.68 2 10 8 118.21 10.57 2 10 9 4.09 3.66 2 10 9 -2.24 5.03 2 11 -6 17.73 3.60 2 11 4 324.36 19.93 2 11 5 300.77 18.56 2 11 6 9.47 7.37 2 11 7 82.05 8.99 2 11 7 103.28 7.21 2 11 8 227.73 12.28 2 11 8 261.05 11.01 2 12 -5 61.53 5.05 2 12 3 5.90 8.01 2 12 4 264.01 15.82 2 12 5 87.02 9.17 2 12 6 9.90 5.62 2 12 7 169.43 9.12 2 13 -5 9.62 1.87 2 13 -4 71.67 4.68 2 13 -3 1.43 2.86 2 13 -2 18.45 3.75 2 13 -1 185.60 9.48 2 13 1 17.10 3.64 2 13 2 161.35 8.05 2 13 3 1.20 5.83 2 13 4 36.44 5.96 2 13 5 56.66 5.39 2 14 -2 18.04 2.25 2 14 -1 125.29 5.91 2 14 1 4.38 1.69 3 -14 -2 2.89 1.88 3 -14 -1 105.66 5.14 3 -14 1 13.29 2.07 3 -14 2 43.18 13.31 3 -13 -4 8.77 2.74 3 -13 -3 200.00 9.13 3 -13 -2 9.38 3.33 3 -13 -1 6.03 3.33 3 -13 2 2.12 2.86 3 -12 -5 325.22 13.31 3 -12 -4 8.74 3.69 3 -12 -3 86.71 6.42 3 -12 -2 315.26 14.14 3 -12 -1 8.21 4.27 3 -12 2 15.18 4.14 3 -12 3 141.05 7.83 3 -12 5 6.22 24.93 3 -12 6 40.32 21.94 3 -12 7 -4.49 15.97 3 -11 -9 73.24 19.93 3 -11 -8 -0.50 21.41 3 -11 -7 -22.58 24.49 3 -11 -6 126.12 31.17 3 -11 -5 336.48 14.15 3 -11 -5 99.10 33.28 3 -11 -4 0.08 3.99 3 -11 -3 66.38 6.33 3 -11 -3 58.39 32.66 3 -11 -2 491.90 20.66 3 -11 -1 3.47 4.50 3 -11 2 8.58 4.50 3 -11 3 24.59 4.69 3 -11 4 297.38 13.31 3 -11 6 61.52 29.74 3 -11 7 68.48 26.04 3 -10 -11 13.30 13.14 3 -10 -10 -6.70 18.56 3 -10 -9 65.82 24.67 3 -10 -8 31.79 25.77 3 -10 -7 17.44 27.24 3 -10 -6 292.00 12.77 3 -10 -6 119.28 34.61 3 -10 -5 242.86 11.71 3 -10 -5 80.29 33.86 3 -10 -4 132.62 8.46 3 -10 -4 45.02 32.64 3 -10 -3 216.53 11.40 3 -10 -3 150.56 39.07 3 -10 2 94.91 7.50 3 -10 3 140.33 8.81 3 -10 4 419.28 17.87 3 -10 6 95.84 36.62 3 -10 7 131.72 33.44 3 -10 8 -5.15 26.52 3 -9 -12 3.48 12.31 3 -9 -11 16.00 18.87 3 -9 -10 16.09 23.11 3 -9 -9 -3.47 24.97 3 -9 -8 102.27 31.83 3 -9 -7 17.32 29.54 3 -9 -6 46.04 5.14 3 -9 -6 41.50 31.44 3 -9 -5 290.61 42.41 3 -9 -4 -10.92 30.08 3 -9 -3 76.17 32.99 3 -9 -2 392.14 45.75 3 -9 4 427.46 17.21 3 -9 4 334.09 17.62 3 -9 5 72.83 5.77 3 -9 5 44.82 6.76 3 -9 6 60.75 7.35 3 -9 7 166.82 39.44 3 -9 7 134.64 9.65 3 -9 8 49.13 32.79 3 -9 8 46.16 6.21 3 -9 9 98.16 7.23 3 -9 10 117.92 6.96 3 -8 -12 -10.35 18.32 3 -8 -11 26.65 23.79 3 -8 -9 12.97 30.09 3 -8 -8 60.45 32.95 3 -8 -7 -13.16 31.09 3 -8 -5 129.31 34.78 3 -8 -4 21.33 30.21 3 -8 -3 6.03 28.79 3 -8 -2 311.01 40.89 3 -8 4 630.23 26.76 3 -8 5 4.40 5.34 3 -8 6 114.51 9.49 3 -8 7 363.36 48.08 3 -8 7 337.53 17.35 3 -8 8 6.12 36.30 3 -8 8 30.24 6.15 3 -8 9 68.41 33.00 3 -8 9 85.53 7.73 3 -8 10 217.78 11.52 3 -8 11 20.63 3.67 3 -7 -13 24.01 16.80 3 -7 -6 6.51 6.00 3 -7 -4 193.46 36.56 3 -7 -3 30.81 26.99 3 -7 3 71.20 6.94 3 -7 4 414.00 19.06 3 -7 5 70.03 7.66 3 -7 6 2.87 5.25 3 -7 7 331.25 48.86 3 -7 7 415.34 19.95 3 -7 8 69.90 39.76 3 -7 8 75.09 8.41 3 -7 9 -2.89 35.20 3 -7 9 2.84 5.25 3 -7 10 158.83 10.32 3 -7 11 23.70 4.75 3 -7 12 1.25 2.65 3 -6 -14 9.04 12.48 3 -6 -13 14.03 20.59 3 -6 3 9.58 4.17 3 -6 4 304.01 14.93 3 -6 5 1183.30 45.16 3 -6 6 34.09 6.41 3 -6 7 119.60 42.85 3 -6 7 90.93 8.81 3 -6 8 447.35 49.98 3 -6 8 447.23 27.42 3 -6 8 507.07 22.70 3 -6 9 4.97 38.17 3 -6 9 23.84 6.36 3 -6 10 11.63 5.63 3 -6 11 71.39 6.92 3 -6 12 3.83 3.61 3 -5 -14 9.98 16.71 3 -5 4 365.10 16.50 3 -5 5 392.74 17.95 3 -5 6 52.31 6.80 3 -5 7 116.04 9.50 3 -5 7 140.97 42.51 3 -5 8 538.22 24.07 3 -5 8 455.09 50.00 3 -5 9 56.44 7.70 3 -5 9 44.13 10.01 3 -5 10 24.79 6.38 3 -5 11 246.14 13.42 3 -5 12 40.31 5.39 3 -4 4 204.44 10.77 3 -4 5 381.28 17.33 3 -4 6 271.38 14.15 3 -4 7 243.21 13.72 3 -4 7 217.20 41.60 3 -4 8 432.03 20.50 3 -4 8 392.25 46.70 3 -4 9 89.38 8.90 3 -4 9 79.68 11.66 3 -4 10 204.24 12.83 3 -4 11 393.83 18.72 3 -3 6 92.81 7.80 3 -3 7 6.11 5.07 3 -3 7 -3.93 35.05 3 -3 8 625.28 32.00 3 -3 8 661.10 28.06 3 -3 9 88.51 11.71 3 -3 9 111.14 9.59 3 -3 10 146.79 10.91 3 -3 13 61.17 5.47 3 -2 8 296.19 18.73 3 -2 8 311.93 16.17 3 -2 8 289.71 14.37 3 -2 9 104.02 8.38 3 -2 9 124.19 10.06 3 -2 10 82.59 7.50 3 -2 10 86.99 8.72 3 -2 11 155.65 9.55 3 -2 13 5.41 3.83 3 -1 4 0.89 2.66 3 -1 5 358.06 17.21 3 -1 6 1347.38 52.18 3 -1 7 15.96 4.73 3 -1 7 16.87 4.55 3 -1 8 101.53 9.75 3 -1 8 98.71 8.06 3 -1 9 469.41 20.84 3 -1 10 31.95 6.01 3 -1 11 17.33 5.35 3 -1 12 189.33 10.52 3 -1 12 229.76 12.04 3 -1 13 3.59 3.88 3 0 2 2205.97 76.71 3 0 3 805.27 30.47 3 0 4 96.76 6.83 3 0 5 1017.44 39.74 3 0 6 930.38 36.02 3 0 6 823.89 32.78 3 0 7 312.62 16.98 3 0 7 288.64 14.37 3 0 8 290.67 17.23 3 0 8 274.41 14.28 3 0 9 954.85 40.84 3 0 9 914.90 36.58 3 0 10 49.87 6.89 3 0 11 8.01 5.28 3 0 11 10.50 5.68 3 0 12 529.38 22.30 3 0 12 574.21 23.49 3 0 13 65.98 5.72 3 1 1 145.68 6.18 3 1 2 346.35 14.10 3 1 3 953.04 35.64 3 1 4 267.12 13.23 3 1 5 264.55 14.08 3 1 6 1030.90 39.57 3 1 6 912.93 36.51 3 1 7 147.11 11.06 3 1 7 127.16 9.42 3 1 8 335.21 18.93 3 1 8 311.53 15.98 3 1 9 653.02 30.88 3 1 9 641.76 27.31 3 1 10 157.86 10.79 3 1 11 160.19 10.28 3 1 11 140.56 10.67 3 1 12 422.51 18.20 3 1 12 414.25 18.82 3 1 13 93.37 6.23 3 1 13 104.50 6.63 3 2 2 1.18 2.21 3 2 3 1039.80 39.17 3 2 4 85.03 6.93 3 2 5 1.59 3.11 3 2 6 609.80 27.60 3 2 7 41.01 6.51 3 2 7 39.09 6.67 3 2 8 34.03 6.41 3 2 8 28.69 6.56 3 2 9 583.39 29.42 3 2 9 630.06 26.61 3 2 10 152.11 10.82 3 2 11 30.87 6.19 3 2 11 27.25 6.20 3 2 12 255.87 12.49 3 2 12 236.67 12.68 3 2 13 92.86 6.09 3 3 4 1094.85 42.90 3 3 5 200.28 12.61 3 3 6 343.77 18.83 3 3 7 273.74 16.80 3 3 7 279.29 15.50 3 3 8 39.93 6.94 3 3 8 50.53 7.83 3 3 9 364.35 21.32 3 3 9 392.20 19.18 3 3 10 313.83 16.37 3 3 11 25.14 6.03 3 3 12 125.68 7.93 3 3 12 93.01 7.43 3 3 13 60.76 4.80 3 4 5 206.88 13.67 3 4 5 151.62 11.82 3 4 6 246.16 16.01 3 4 6 296.23 16.92 3 4 7 512.26 25.72 3 4 7 484.20 24.33 3 4 8 91.57 9.76 3 4 8 116.07 11.10 3 4 8 84.67 9.52 3 4 9 28.80 7.26 3 4 9 21.54 7.52 3 4 10 373.68 18.33 3 4 11 1.34 5.04 3 4 12 2.18 4.14 3 4 13 84.42 5.07 3 5 -13 -3.41 8.21 3 5 5 333.80 19.60 3 5 6 286.96 18.61 3 5 6 347.66 19.33 3 5 7 529.05 25.86 3 5 7 510.69 26.54 3 5 8 191.51 13.27 3 5 8 180.49 14.14 3 5 9 64.85 8.51 3 5 9 52.40 8.89 3 5 10 253.44 13.62 3 5 10 207.93 13.27 3 5 11 48.66 6.14 3 5 12 32.89 4.51 3 6 -13 22.16 7.82 3 6 5 114.01 12.90 3 6 6 210.40 15.13 3 6 6 183.82 15.55 3 6 7 409.91 22.43 3 6 8 76.65 10.39 3 6 8 71.08 9.18 3 6 9 45.58 8.54 3 6 9 57.42 8.04 3 6 10 177.73 10.65 3 6 10 122.33 9.87 3 6 11 70.73 6.38 3 6 12 87.62 5.55 3 7 -13 14.72 5.70 3 7 5 33.03 10.52 3 7 6 9.94 9.23 3 7 7 234.06 16.58 3 7 8 8.28 6.58 3 7 8 10.93 7.83 3 7 9 34.25 6.52 3 7 9 31.25 7.49 3 7 10 178.33 9.62 3 7 10 111.51 8.91 3 7 11 28.55 4.25 3 8 -12 18.90 8.31 3 8 5 384.49 23.17 3 8 6 63.90 11.08 3 8 7 102.89 11.71 3 8 8 66.61 8.01 3 8 8 45.69 8.78 3 8 9 52.73 6.58 3 8 9 45.46 7.15 3 8 10 105.95 6.96 3 9 5 399.28 23.12 3 9 6 44.27 9.77 3 9 7 63.51 9.41 3 9 8 179.90 11.78 3 9 9 41.69 5.48 3 10 -11 -1.23 4.36 3 10 4 90.41 12.16 3 10 5 231.35 16.24 3 10 6 181.35 13.01 3 10 7 124.53 9.93 3 10 8 102.28 7.55 3 11 4 39.66 9.02 3 11 5 174.96 12.25 3 11 6 54.38 7.09 3 11 7 15.12 3.57 3 11 7 7.12 4.21 3 12 3 95.06 9.42 3 12 4 -0.63 5.51 3 12 5 26.22 3.85 3 12 5 16.44 4.90 3 13 -4 55.51 3.43 3 13 -3 176.95 8.03 3 13 1 40.14 3.59 3 13 1 32.42 6.25 3 13 2 13.64 2.20 3 13 2 2.58 4.77 3 13 3 138.15 8.05 4 -13 -3 1.75 2.32 4 -13 -2 171.14 7.80 4 -13 -1 64.56 4.47 4 -13 1 154.80 7.13 4 -13 2 15.72 2.43 4 -13 3 2.14 15.09 4 -12 -5 169.27 7.61 4 -12 -4 228.38 10.19 4 -12 -3 45.40 4.59 4 -12 -2 163.52 8.54 4 -12 -1 242.54 11.24 4 -12 1 124.50 7.18 4 -12 2 237.86 10.63 4 -12 4 80.83 23.35 4 -12 5 38.96 18.92 4 -12 6 -7.21 13.06 4 -11 -8 25.95 16.55 4 -11 -7 1.96 19.68 4 -11 -6 5.09 21.52 4 -11 -5 251.35 11.37 4 -11 -4 106.74 6.98 4 -11 -3 -0.16 3.72 4 -11 -2 208.40 10.73 4 -11 -1 152.81 8.98 4 -11 1 263.60 12.49 4 -11 2 235.44 11.35 4 -11 3 55.67 5.25 4 -11 5 104.83 28.49 4 -11 6 18.72 22.25 4 -10 -10 26.05 14.42 4 -10 -9 -3.49 18.44 4 -10 -8 5.86 21.74 4 -10 -7 45.83 24.89 4 -10 -6 5.32 3.50 4 -10 -6 8.13 25.41 4 -10 -5 185.63 9.61 4 -10 -5 43.42 28.85 4 -10 -4 55.08 29.41 4 -10 3 23.17 4.57 4 -10 4 233.65 11.05 4 -10 6 5.29 28.65 4 -10 7 72.61 25.63 4 -9 -11 0.28 14.71 4 -9 -10 62.40 21.82 4 -9 -9 30.01 23.78 4 -9 -8 -10.05 25.06 4 -9 -7 45.47 28.58 4 -9 -6 4.28 3.63 4 -9 -6 -22.15 27.61 4 -9 -5 18.19 28.50 4 -9 -4 65.22 30.39 4 -9 6 29.22 4.95 4 -9 6 38.61 34.59 4 -9 7 63.00 5.81 4 -9 7 65.75 30.98 4 -9 8 43.15 4.56 4 -8 -12 4.86 13.78 4 -8 -11 7.52 19.26 4 -8 -10 31.59 24.21 4 -8 -9 53.34 28.32 4 -8 -8 12.57 28.27 4 -8 -7 66.04 31.59 4 -8 -6 32.17 30.76 4 -8 -5 10.45 28.48 4 -8 5 250.75 13.38 4 -8 6 27.29 5.60 4 -8 6 50.81 38.30 4 -8 7 3.18 4.56 4 -8 7 6.70 33.93 4 -8 8 152.79 9.39 4 -8 8 97.83 31.23 4 -8 9 26.87 4.45 4 -8 10 3.89 2.62 4 -7 -13 10.28 11.47 4 -7 -12 8.41 18.48 4 -7 -11 -1.16 22.83 4 -7 -6 10.91 28.97 4 -7 5 96.93 8.36 4 -7 6 322.86 16.34 4 -7 6 283.28 44.99 4 -7 7 4.58 5.04 4 -7 7 -7.95 35.91 4 -7 8 114.74 8.90 4 -7 8 76.09 33.55 4 -7 9 153.00 9.49 4 -7 10 0.63 3.60 4 -7 11 42.04 3.69 4 -6 4 45.02 6.01 4 -6 5 176.81 11.11 4 -6 6 315.93 15.89 4 -6 6 227.97 43.81 4 -6 7 22.84 6.03 4 -6 7 -2.20 37.14 4 -6 8 184.95 11.54 4 -6 8 137.70 36.61 4 -6 9 402.96 18.58 4 -6 10 1.67 4.23 4 -6 11 46.85 4.88 4 -5 -14 -2.84 12.21 4 -5 4 31.62 5.34 4 -5 5 403.20 18.67 4 -5 6 39.65 37.91 4 -5 6 40.67 6.31 4 -5 7 -4.91 36.35 4 -5 7 10.59 5.47 4 -5 8 356.86 17.75 4 -5 9 238.80 13.44 4 -5 10 5.55 4.81 4 -5 11 169.56 9.55 4 -5 12 109.04 6.12 4 -4 4 170.45 10.09 4 -4 5 53.71 6.51 4 -4 6 256.00 14.04 4 -4 7 83.52 8.28 4 -4 8 53.51 9.86 4 -4 8 49.32 7.17 4 -4 9 85.74 8.42 4 -4 10 5.65 4.97 4 -4 11 113.83 8.01 4 -4 12 36.43 4.33 4 -3 5 22.69 5.20 4 -3 6 489.15 21.98 4 -3 7 227.25 13.36 4 -3 8 4.93 5.57 4 -3 9 324.77 16.80 4 -3 10 106.37 8.87 4 -3 11 17.65 5.07 4 -3 12 114.02 7.27 4 -2 8 14.54 6.14 4 -2 9 346.68 17.80 4 -2 10 301.10 15.81 4 -2 11 4.31 4.75 4 -2 12 117.51 7.52 4 -1 9 213.28 13.36 4 -1 10 592.06 25.85 4 -1 11 0.12 4.72 4 0 9 518.77 21.91 4 0 10 228.34 11.77 4 0 10 231.53 13.71 4 1 6 6.58 4.73 4 1 7 387.87 17.99 4 1 8 46.03 6.45 4 1 9 38.86 6.13 4 1 10 110.44 8.07 4 1 11 85.72 6.43 4 1 12 29.99 4.60 4 2 6 158.42 10.71 4 2 7 690.02 28.76 4 2 8 383.33 18.25 4 2 9 105.11 8.55 4 2 10 227.56 12.06 4 2 11 112.64 7.46 4 2 12 13.95 3.79 4 3 6 0.27 5.45 4 3 7 417.40 20.07 4 3 8 306.51 16.01 4 3 9 2.40 5.28 4 3 10 92.22 7.74 4 3 11 160.15 8.76 4 3 11 147.05 9.43 4 3 12 0.54 2.92 4 4 7 282.10 15.85 4 4 8 147.37 10.89 4 4 9 -0.60 5.20 4 4 10 203.95 11.18 4 4 11 130.37 7.46 4 4 11 111.65 7.74 4 5 7 259.37 15.32 4 5 8 149.94 10.91 4 5 9 30.68 6.10 4 5 10 160.25 9.42 4 5 11 51.94 4.90 4 5 11 52.79 4.77 4 6 4 53.95 9.89 4 6 7 1.31 6.23 4 6 8 183.38 11.74 4 6 9 39.86 6.12 4 6 10 1.26 3.81 4 7 -12 10.87 6.60 4 7 4 15.03 8.84 4 7 5 154.69 13.46 4 7 6 275.13 16.46 4 7 7 9.82 6.24 4 7 8 281.72 14.70 4 7 9 165.19 9.46 4 7 10 2.54 3.03 4 8 4 4.75 8.27 4 8 5 247.06 16.24 4 8 6 432.45 21.17 4 8 7 57.76 7.31 4 8 8 172.13 10.04 4 8 9 296.14 12.80 4 9 4 29.66 8.87 4 9 5 186.05 13.23 4 9 6 115.56 9.61 4 9 7 3.39 4.47 4 9 8 73.57 5.64 4 10 3 107.83 11.35 4 10 4 52.43 8.55 4 10 5 13.14 6.05 4 10 6 66.58 6.45 4 10 6 114.64 7.32 4 10 7 16.59 3.60 4 11 3 88.03 8.91 4 11 4 53.69 6.56 4 11 5 5.68 3.53 4 11 6 73.08 4.71 4 12 -5 66.41 3.54 4 12 1 132.33 9.35 4 12 2 1.83 4.59 4 13 -2 6.45 1.42 4 13 -1 1.02 1.28 5 -12 -4 55.71 3.74 5 -12 -3 30.82 3.36 5 -12 -2 37.38 3.73 5 -12 -1 130.61 6.73 5 -12 1 95.31 5.32 5 -12 2 69.25 4.14 5 -12 3 24.92 15.97 5 -11 -5 18.80 3.19 5 -11 -4 138.21 7.37 5 -11 -3 47.63 4.68 5 -11 -2 55.70 5.05 5 -11 -1 108.29 6.85 5 -11 1 10.83 3.59 5 -11 2 39.73 4.19 5 -11 4 2.83 20.81 5 -11 5 19.15 16.55 5 -10 -6 244.93 10.57 5 -10 -5 2.42 3.46 5 -10 3 111.49 6.75 5 -10 5 72.51 24.84 5 -10 6 18.32 18.78 5 -9 5 94.14 30.47 5 -9 6 93.33 26.07 5 -8 -10 2.54 16.95 5 -8 -9 17.22 20.39 5 -8 -8 10.01 21.99 5 -8 5 53.59 33.55 5 -8 6 95.23 30.23 5 -7 -11 8.02 17.45 5 -7 -10 4.20 21.56 5 -7 -9 17.86 23.90 5 -7 -8 11.60 25.12 5 -7 5 68.05 35.29 5 -7 6 40.47 31.33 5 -7 7 97.28 7.09 5 -7 8 19.96 3.99 5 -7 9 63.91 4.45 5 -6 -12 8.52 15.82 5 -6 -11 44.96 23.08 5 -6 6 89.13 7.58 5 -6 7 77.03 7.11 5 -6 8 3.06 4.10 5 -6 9 60.75 5.45 5 -5 -13 0.86 12.39 5 -5 5 136.43 9.35 5 -5 6 93.45 7.93 5 -5 7 102.90 8.30 5 -5 8 52.41 6.22 5 -5 9 84.52 6.88 5 -5 10 16.74 3.72 5 -4 5 46.10 6.19 5 -4 6 81.32 7.67 5 -4 7 694.47 28.72 5 -4 8 149.78 9.89 5 -4 9 56.28 6.27 5 -4 10 191.17 10.03 5 -4 11 62.80 4.54 5 -3 4 572.56 24.09 5 -3 5 71.31 7.27 5 -3 6 262.14 14.25 5 -3 7 588.55 25.44 5 -3 8 129.92 9.57 5 -3 9 42.62 6.10 5 -3 10 395.35 17.25 5 -3 11 55.94 4.84 5 -2 7 71.61 7.89 5 -2 8 225.98 13.11 5 -2 9 24.02 5.67 5 -2 10 115.25 8.12 5 -2 11 48.10 4.83 5 -1 8 164.85 11.24 5 -1 9 11.18 5.35 5 -1 10 179.36 10.38 5 -1 11 29.38 4.37 5 0 9 107.60 8.92 5 0 10 225.47 12.13 5 0 11 20.07 4.12 5 1 10 29.10 5.35 5 1 11 146.11 8.13 5 2 10 83.01 7.15 5 2 11 172.82 8.78 5 3 5 30.39 6.10 5 3 6 72.26 7.50 5 3 7 179.90 10.88 5 3 8 61.24 6.28 5 3 10 36.74 5.23 5 4 6 253.24 14.00 5 4 7 39.49 6.27 5 4 8 97.50 7.72 5 4 9 150.26 8.34 5 5 6 433.27 20.18 5 5 7 60.21 7.22 5 5 8 24.35 5.01 5 5 9 218.76 10.25 5 6 6 519.42 22.78 5 6 7 41.14 6.13 5 6 8 18.15 4.43 5 6 9 262.95 11.09 5 7 6 167.92 10.76 5 7 7 172.66 10.03 5 7 8 93.46 6.07 5 8 6 56.17 6.24 5 8 7 102.22 6.70 5 9 5 105.48 7.58 5 9 6 61.36 5.33 5 10 5 16.56 3.43 5 11 0 18.32 5.12 6 -11 -4 4.40 2.17 6 -11 -3 195.82 8.48 6 -11 -2 171.35 7.84 6 -11 -1 2.55 2.59 6 -11 1 103.93 5.36 6 -10 -5 205.62 8.97 6 -10 2 11.18 3.04 6 -4 7 40.22 5.01 6 -4 8 218.23 10.36 6 -3 6 44.03 5.70 6 -3 7 5.78 4.26 6 -3 8 48.02 5.21 6 -3 9 26.70 3.86 6 -2 5 284.87 14.46 6 -2 6 185.96 10.98 6 -2 7 16.01 4.81 6 -2 8 91.83 7.00 6 -2 9 141.16 7.88 6 -1 6 215.54 12.31 6 -1 7 15.38 5.05 6 -1 8 323.55 15.18 6 -1 9 127.75 7.73 6 -1 10 6.87 2.60 6 0 7 6.49 5.02 6 0 8 125.71 8.64 6 0 9 225.35 11.03 6 0 10 2.64 2.54 6 1 8 57.37 6.37 6 1 9 176.24 9.43 6 1 10 1.77 2.45 6 2 9 43.05 4.83 6 3 9 69.39 5.39 6 4 9 96.58 5.75 6 6 4 50.35 6.31 6 7 4 30.27 5.17 6 7 5 112.08 6.88 6 8 4 127.96 7.34 6 9 3 0.20 3.03 7 -10 -3 2.35 1.88 7 -10 -2 10.32 2.28 7 -10 0 2.02 1.85 7 -9 -5 113.51 5.50 7 1 6 8.97 3.69 7 1 7 65.27 4.81 7 2 6 6.27 3.53 7 2 7 133.70 7.02 0 0 0 0.00 0.00 TITL exp_137_auto in P1 REM P1 (#1 in standard setting) CELL 1.54184 7.349482 11.660166 12.447829 90.5026 98.3704 93.1599 ZERR 2.00 0.000575 0.001020 0.000530 0.0057 0.0055 0.0067 LATT -1 SFAC C H O F Si S I UNIT 34.00 40.00 6.00 6.00 2.00 2.00 2.00 TREF HKLF 4 END _computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)' ; _shelx_hkl_checksum 83334 _olex2_submission_special_instructions 'No special instructions were received' _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _oxdiff_exptl_absorpt_empirical_full_max 3.879 _oxdiff_exptl_absorpt_empirical_full_min 0.297