#------------------------------------------------------------------------------ #$Date: 2024-07-10 05:01:26 +0300 (Wed, 10 Jul 2024) $ #$Revision: 293352 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/57/21/1572122.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_1572122 loop_ _publ_author_name 'Smith, Danielle' 'Harakas, George N.' _publ_section_title ; Dicarbonyl-1\k2 C-\m-chlorido-2:3\k2 Cl:Cl-pentachlorido-2\k2 Cl,3\k3 Cl-[1(\h6)-toluene]digallium(III)ruthenium(I)(Ru---Ga) ; _journal_coeditor_code BT4152 _journal_issue 7 _journal_name_full IUCrData _journal_paper_doi 10.1107/S2414314624006576 _journal_volume 9 _journal_year 2024 _chemical_formula_iupac '[Ru Ga2 Cl6 (C7 H8) (C O)2]' _chemical_formula_moiety 'C9 H8 Cl6 Ga2 O2 Ru' _chemical_formula_sum 'C9 H8 Cl6 Ga2 O2 Ru' _chemical_formula_weight 601.36 _chemical_name_systematic Dicarbonyl-1\k^2^C-\m-chlorido-2:3\k^2^Cl:Cl-pentachlorido-2\k^2^Cl,3\k^3^Cl-[1(\h^6^)-toluene]digallium(III)ruthenium(I)(Ru---Ga) _space_group_crystal_system monoclinic _space_group_IT_number 14 _space_group_name_Hall '-P 2ybc' _space_group_name_H-M_alt 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _cell_angle_alpha 90 _cell_angle_beta 115.2570(10) _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 13.1598(6) _cell_length_b 9.7142(4) _cell_length_c 15.3369(7) _cell_measurement_reflns_used 9595 _cell_measurement_temperature 248.(2) _cell_measurement_theta_max 28.3115 _cell_measurement_theta_min 2.7066 _cell_volume 1773.19(14) _computing_cell_refinement ; SAINT V8.40B (Bruker, 2019) ; _computing_data_collection ; APEX3 (Bruker, 2019) ; _computing_data_reduction ; SAINT V8.40B (Bruker, 2019) ; _computing_molecular_graphics ; ShelXle (H\"ubschle et al., 2011) ; _computing_structure_refinement ; SHELXL2018/3 (Sheldrick, 2015b) ; _computing_structure_solution ; SHELXT2018/2 (Sheldrick, 2015a) ; _diffrn_ambient_temperature 248.(2) _diffrn_detector_area_resol_mean 7.3910 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device_type 'Bruker D8 Quest Eco, Photon II 7' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_type 'Mo Ka' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0305 _diffrn_reflns_av_unetI/netI 0.0108 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_h_min -17 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_limit_l_min -20 _diffrn_reflns_number 66270 _diffrn_reflns_theta_full 25.24 _diffrn_reflns_theta_max 28.33 _diffrn_reflns_theta_min 2.69 _diffrn_source_current 20.0 _diffrn_source_power 0.88 _diffrn_source_voltage 44 _exptl_absorpt_coefficient_mu 4.756 _exptl_absorpt_correction_T_max 0.32 _exptl_absorpt_correction_T_min 0.21 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; (SADABS; Krause et al., 2015) ; _exptl_crystal_colour 'clear colourless' _exptl_crystal_density_diffrn 2.253 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1144 _exptl_crystal_size_max 0.360 _exptl_crystal_size_mid 0.340 _exptl_crystal_size_min 0.310 _refine_diff_density_max 0.650 _refine_diff_density_min -0.430 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.090 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 182 _refine_ls_number_reflns 4424 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 1.090 _refine_ls_R_factor_all 0.0182 _refine_ls_R_factor_gt 0.0163 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0179P)^2^+1.0566P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0405 _refine_ls_wR_factor_ref 0.0411 _reflns_number_gt 4133 _reflns_number_total 4424 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file bt4152.cif 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166.18 4.30 -5 -3 0 165.68 4.50 5 -3 0 158.98 11.00 5 -3 0 160.78 4.50 5 -3 0 168.28 4.80 -5 -3 0 163.68 4.40 5 3 0 160.58 4.50 -5 3 0 165.38 4.60 -5 3 0 162.38 12.10 -5 3 0 167.48 4.80 -5 3 0 180.98 11.80 5 3 0 164.98 4.50 5 3 0 164.98 4.30 5 3 0 160.88 4.60 -5 3 0 159.08 4.70 -5 3 0 160.48 4.30 6 -3 0 1156.18 29.50 6 -3 0 1147.19 29.40 -6 -3 0 1196.68 29.40 6 -3 0 1163.48 39.70 -6 -3 0 1228.78 29.50 6 -3 0 1188.18 38.30 -6 -3 0 1203.48 29.30 6 -3 0 1188.88 29.50 6 -3 0 1223.38 29.70 6 -3 0 1228.18 29.20 -6 3 0 1180.58 40.10 -6 3 0 1226.68 39.00 -6 3 0 1159.48 29.50 6 3 0 1174.98 29.40 6 3 0 1170.28 29.30 -6 3 0 1177.78 29.70 -6 3 0 1217.18 29.20 -6 3 0 1214.38 29.60 6 3 0 1197.88 29.40 6 3 0 1192.38 29.40 -7 -3 0 219.58 6.00 7 -3 0 220.28 6.30 7 -3 0 221.58 5.70 7 -3 0 220.38 6.10 7 -3 0 219.58 15.30 -7 -3 0 228.08 6.10 7 -3 0 206.48 14.20 7 -3 0 224.68 6.10 -7 3 0 214.78 6.30 7 3 0 217.08 5.70 -7 3 0 204.48 15.30 -7 3 0 210.78 16.10 -7 3 0 224.28 6.20 -7 3 0 228.28 5.70 -7 3 0 222.98 6.40 7 3 0 224.48 6.00 -8 -3 0 310.47 8.20 8 -3 0 302.17 8.30 8 -3 0 303.57 8.20 8 -3 0 307.67 17.30 -8 -3 0 299.47 8.00 8 -3 0 312.47 8.20 8 -3 0 310.37 18.20 8 -3 0 305.77 7.70 -8 3 0 300.07 8.20 -8 3 0 310.87 7.60 -8 3 0 301.27 19.00 -8 3 0 298.17 18.20 -8 3 0 299.97 8.30 -8 3 0 288.67 8.80 8 3 0 311.27 8.10 8 3 0 294.17 7.70 9 -3 0 29.70 1.90 9 -3 0 27.60 2.00 9 -3 0 46.20 10.00 -9 -3 0 30.30 1.80 -9 -3 0 26.30 1.90 9 -3 0 26.00 1.90 9 -3 0 27.60 8.00 9 -3 0 28.60 1.20 -9 3 0 28.80 1.10 9 3 0 27.40 1.70 9 3 0 28.70 1.40 -9 3 0 27.00 2.00 9 3 0 28.70 1.30 -9 3 0 19.00 7.50 -9 3 0 31.40 8.10 -9 3 0 29.20 2.60 10 -3 0 176.78 16.60 10 -3 0 163.58 5.20 -10 -3 0 162.38 4.90 10 -3 0 164.68 5.10 10 -3 0 161.68 5.10 -10 -3 0 161.68 5.10 10 -3 0 135.89 15.10 -10 3 0 164.28 5.20 -10 3 0 165.28 5.20 10 3 0 160.28 4.50 -10 3 0 165.78 17.40 -10 3 0 146.49 16.10 -10 3 0 161.18 5.20 10 3 0 165.38 4.90 11 -3 0 52.49 11.20 -11 -3 0 41.20 2.50 11 -3 0 43.70 2.50 11 -3 0 44.50 2.60 11 -3 0 46.80 11.20 11 -3 0 46.70 2.70 -11 -3 0 42.60 1.90 -11 3 0 39.60 2.60 11 3 0 44.80 2.00 11 3 0 43.90 2.80 -11 3 0 31.30 10.50 -11 3 0 42.60 2.70 -11 3 0 61.49 12.70 -11 3 0 47.20 2.70 11 3 0 47.50 2.40 -12 -3 0 208.68 6.90 -12 -3 0 203.78 5.60 12 -3 0 211.08 6.60 12 -3 0 207.38 6.40 12 -3 0 184.88 6.10 -12 3 0 199.78 6.40 -12 3 0 210.88 6.60 12 3 0 195.08 6.30 -12 3 0 193.88 6.40 12 3 0 204.28 6.60 12 3 0 209.48 6.30 -13 -3 0 16.30 1.40 13 -3 0 15.10 1.80 -13 -3 0 16.30 1.80 13 -3 0 18.20 2.50 -13 -3 0 19.80 1.80 13 3 0 19.00 2.10 -13 3 0 18.10 2.00 13 3 0 19.60 1.70 13 3 0 15.60 1.90 -13 3 0 17.90 2.60 14 -3 0 5.70 1.60 -14 -3 0 4.50 1.50 14 -3 0 4.40 1.60 -14 -3 0 4.80 0.80 -14 -3 0 4.30 1.10 14 3 0 4.60 1.40 14 3 0 5.60 0.90 -14 3 0 4.90 1.60 14 3 0 1.80 1.50 -14 3 0 6.80 1.70 -15 -3 0 1.30 0.80 15 -3 0 2.30 1.70 15 -3 0 3.00 1.70 -15 -3 0 3.10 1.50 -15 3 0 1.60 1.70 15 3 0 1.90 1.40 15 3 0 -0.90 2.90 -15 3 0 2.00 2.10 0 4 0 2441.76 66.79 0 4 0 2448.96 59.89 0 4 0 2460.85 65.89 1 -4 0 388.66 9.80 1 -4 0 389.76 9.90 -1 -4 0 400.86 9.80 1 -4 0 372.86 15.20 -1 -4 0 386.36 9.70 -1 -4 0 394.46 14.50 -1 -4 0 392.36 9.80 1 -4 0 397.26 9.70 -1 -4 0 376.46 13.80 -1 -4 0 393.86 9.80 1 -4 0 396.96 16.30 1 -4 0 390.56 10.00 1 -4 0 403.56 10.00 -1 4 0 381.56 10.00 -1 4 0 377.26 16.40 -1 4 0 396.96 9.90 1 4 0 392.56 15.40 -1 4 0 388.26 15.80 -1 4 0 390.56 9.80 1 4 0 371.26 9.80 1 4 0 395.06 14.70 1 4 0 386.46 9.80 1 4 0 388.76 9.90 -1 4 0 388.06 9.70 -1 4 0 376.76 10.00 2 -4 0 136.39 3.70 2 -4 0 134.49 3.90 -2 -4 0 140.29 7.20 -2 -4 0 130.89 6.70 -2 -4 0 138.49 3.70 -2 -4 0 138.59 3.70 2 -4 0 142.99 9.70 2 -4 0 138.99 4.00 -2 -4 0 135.59 3.50 2 -4 0 134.59 3.90 -2 -4 0 140.89 3.70 2 -4 0 134.69 9.10 2 -4 0 141.99 3.70 2 4 0 121.99 9.20 2 4 0 134.39 3.70 -2 4 0 132.59 3.80 2 4 0 137.49 3.70 2 4 0 138.09 3.50 -2 4 0 138.39 3.70 -2 4 0 138.69 4.00 -2 4 0 140.29 4.00 -2 4 0 133.89 3.90 2 4 0 137.39 3.50 2 4 0 132.29 8.80 2 4 0 136.99 3.60 -2 4 0 138.19 9.50 2 4 0 134.59 3.70 -3 -4 0 0.60 0.40 3 -4 0 2.60 3.60 3 -4 0 -1.10 3.10 -3 -4 0 6.00 2.20 3 -4 0 0.30 0.60 3 -4 0 1.40 0.40 3 -4 0 2.90 0.50 -3 -4 0 0.70 0.40 -3 -4 0 3.20 1.90 3 -4 0 1.50 0.70 -3 4 0 1.50 0.60 -3 4 0 0.20 1.00 3 4 0 4.10 2.70 3 4 0 1.10 0.60 -3 4 0 3.20 3.50 3 4 0 1.20 0.40 -3 4 0 2.30 0.60 3 4 0 0.90 0.40 3 4 0 2.80 0.50 -3 4 0 2.20 0.60 -3 4 0 0.30 0.60 -3 4 0 4.10 3.70 3 4 0 1.60 0.50 3 4 0 0.30 2.30 4 -4 0 292.77 8.00 4 -4 0 297.07 7.70 4 -4 0 296.07 16.00 -4 -4 0 305.07 7.70 -4 -4 0 300.67 7.70 4 -4 0 293.67 15.10 4 -4 0 311.77 8.10 4 -4 0 307.07 7.70 4 -4 0 297.47 7.70 4 -4 0 310.17 8.00 4 4 0 302.17 7.60 -4 4 0 307.27 8.10 4 4 0 296.77 7.70 -4 4 0 300.97 16.30 4 4 0 306.47 7.70 -4 4 0 294.47 15.50 4 4 0 297.37 7.70 4 4 0 307.17 7.80 -4 4 0 288.87 7.90 -4 4 0 305.97 8.00 4 4 0 301.87 7.70 -4 4 0 296.27 7.80 -4 4 0 295.77 7.80 5 -4 0 249.08 6.50 5 -4 0 254.37 6.60 -5 -4 0 255.17 6.60 5 -4 0 251.67 6.60 -5 -4 0 250.57 6.50 5 -4 0 262.27 6.80 5 -4 0 235.88 7.30 5 -4 0 257.67 7.00 5 -4 0 252.27 6.50 -5 4 0 251.97 7.00 5 4 0 251.77 6.60 5 4 0 246.58 6.60 -5 4 0 251.57 6.70 5 4 0 253.17 6.60 5 4 0 246.18 6.70 -5 4 0 249.68 6.50 -5 4 0 251.57 15.00 -5 4 0 232.48 6.70 5 4 0 251.17 6.50 5 4 0 245.68 6.50 -5 4 0 255.47 6.90 -6 -4 0 654.03 16.10 6 -4 0 608.84 25.50 -6 -4 0 658.93 16.20 6 -4 0 650.23 16.80 6 -4 0 587.84 26.70 6 -4 0 654.83 16.20 6 -4 0 634.74 16.20 6 -4 0 607.54 16.40 6 -4 0 682.23 17.40 6 -4 0 643.24 16.00 6 4 0 634.24 16.10 -6 4 0 692.13 26.90 -6 4 0 644.54 16.60 6 4 0 612.14 16.10 6 4 0 658.23 16.10 -6 4 0 648.44 16.10 -6 4 0 644.74 16.30 -6 4 0 664.53 27.80 6 4 0 646.64 16.10 6 4 0 644.04 16.20 -6 4 0 664.33 16.50 7 -4 0 268.17 6.90 -7 -4 0 268.77 7.20 7 -4 0 274.97 7.40 -7 -4 0 259.87 7.20 7 -4 0 249.78 17.40 7 -4 0 266.37 7.50 -7 -4 0 269.07 7.10 7 -4 0 269.87 7.20 -7 4 0 265.67 7.50 -7 4 0 263.57 6.90 7 4 0 267.37 7.00 -7 4 0 267.97 17.50 -7 4 0 267.97 7.20 -7 4 0 263.57 7.40 -7 4 0 255.27 18.00 8 -4 0 14.20 6.80 8 -4 0 7.80 1.20 8 -4 0 8.30 1.20 8 -4 0 8.90 1.00 -8 -4 0 6.80 1.00 8 -4 0 9.70 7.10 -8 -4 0 7.70 1.00 -8 4 0 6.30 1.10 -8 4 0 8.50 1.10 8 4 0 8.90 1.20 -8 4 0 22.00 8.20 -8 4 0 7.70 0.90 8 4 0 8.60 1.20 -8 4 0 7.40 1.10 -8 4 0 9.10 7.70 -9 -4 0 11.80 1.20 9 -4 0 10.80 0.90 -9 -4 0 8.00 1.20 9 -4 0 8.90 1.30 9 -4 0 18.60 8.20 9 -4 0 12.90 1.70 9 -4 0 12.80 1.40 9 -4 0 11.20 7.80 -9 4 0 8.40 1.30 -9 4 0 14.80 1.80 -9 4 0 19.60 9.40 9 4 0 12.80 1.40 -9 4 0 26.90 10.30 -9 4 0 7.80 1.30 -9 4 0 10.40 0.90 10 -4 0 28.60 1.30 10 -4 0 24.10 10.80 10 -4 0 25.70 2.10 -10 -4 0 26.70 2.00 10 -4 0 27.60 2.30 10 -4 0 21.30 11.10 10 -4 0 26.80 2.20 -10 4 0 58.09 13.30 10 4 0 25.50 1.70 -10 4 0 28.60 2.30 -10 4 0 26.40 2.40 10 4 0 29.00 1.90 -10 4 0 29.50 1.20 -10 4 0 25.80 2.30 -10 4 0 31.50 12.10 11 -4 0 4.30 1.60 11 -4 0 -2.50 9.50 11 -4 0 4.50 1.20 -11 -4 0 5.80 1.20 11 -4 0 -0.50 9.60 11 -4 0 4.50 1.30 -11 4 0 3.50 1.30 11 4 0 5.10 1.00 -11 4 0 3.80 1.30 11 4 0 4.80 1.10 11 4 0 4.20 1.30 -11 4 0 19.30 10.80 -11 4 0 15.30 11.20 12 -4 0 321.37 9.10 12 -4 0 281.67 10.00 12 -4 0 316.17 9.10 -12 4 0 324.47 9.20 -12 4 0 323.57 9.00 -12 4 0 290.77 9.10 12 4 0 321.87 9.30 12 4 0 315.87 8.70 12 4 0 300.77 8.30 13 -4 0 76.99 3.80 -13 -4 0 76.59 3.40 13 -4 0 81.99 3.90 13 4 0 73.99 2.90 13 4 0 75.59 4.00 13 4 0 78.19 3.40 -13 4 0 84.19 4.00 -13 4 0 76.49 3.80 14 -4 0 15.90 2.10 -14 -4 0 16.30 1.80 14 -4 0 14.20 1.90 14 4 0 18.40 1.70 14 4 0 12.70 1.70 -14 4 0 14.90 2.10 -14 4 0 15.40 2.00 14 4 0 13.30 2.00 -15 -4 0 9.70 1.70 15 -4 0 8.50 1.90 -15 4 0 6.30 1.90 0 -5 0 3.10 0.80 0 5 0 2.00 0.80 0 5 0 6.50 4.20 0 5 0 4.60 3.70 -1 -5 0 2304.47 63.29 -1 -5 0 2279.07 62.29 -1 -5 0 2266.57 56.49 1 -5 0 2259.37 56.59 1 -5 0 2326.67 56.49 -1 -5 0 2337.37 56.69 1 -5 0 2305.97 56.79 1 -5 0 2313.37 65.59 1 -5 0 2233.98 64.09 -1 5 0 2339.27 56.59 -1 5 0 2257.67 56.79 1 5 0 2348.27 64.89 -1 5 0 2359.26 66.59 1 5 0 2303.17 56.59 1 5 0 2313.47 56.59 1 5 0 2346.97 56.69 -1 5 0 2330.47 65.09 1 5 0 2347.36 56.39 1 5 0 2319.97 56.69 1 5 0 2363.26 63.79 -1 5 0 2306.17 56.79 -1 5 0 2336.47 56.49 -1 5 0 2390.96 56.79 2 -5 0 1216.28 30.50 2 -5 0 1223.48 30.70 2 -5 0 1269.17 30.40 -2 -5 0 1299.77 30.50 -2 -5 0 1218.38 30.40 2 -5 0 1253.57 30.70 2 -5 0 1200.68 39.80 -2 -5 0 1276.47 30.50 2 -5 0 1290.47 30.80 -2 -5 0 1192.88 42.30 2 -5 0 1232.88 38.70 -2 -5 0 1267.67 30.50 -2 -5 0 1165.88 40.70 2 5 0 1226.88 30.50 -2 5 0 1255.17 30.70 2 5 0 1244.38 30.30 2 5 0 1230.18 30.30 2 5 0 1255.27 42.70 -2 5 0 1257.07 30.70 -2 5 0 1244.58 30.50 -2 5 0 1222.68 39.30 2 5 0 1261.57 30.40 2 5 0 1241.18 30.50 -2 5 0 1239.78 30.40 2 5 0 1247.48 44.70 -2 5 0 1177.98 30.70 2 5 0 1207.68 30.50 -3 -5 0 3087.09 80.59 3 -5 0 3225.88 76.39 3 -5 0 3160.58 86.19 -3 -5 0 3170.08 76.29 -3 -5 0 3090.89 79.99 3 -5 0 3096.59 76.39 3 5 0 3110.59 76.19 -3 5 0 3001.50 76.59 3 5 0 3153.58 82.59 3 5 0 3142.49 76.39 -3 5 0 3109.99 86.49 3 5 0 3180.28 81.69 3 5 0 3174.98 76.29 3 5 0 3155.38 76.59 4 -5 0 17.20 6.00 -4 -5 0 19.20 1.00 -4 -5 0 18.10 1.00 4 -5 0 29.40 6.30 4 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0 214.48 5.60 -1 -6 0 218.78 11.70 1 -6 0 220.18 6.00 -1 -6 0 208.98 12.20 1 -6 0 211.78 5.60 1 -6 0 215.58 6.00 1 -6 0 205.88 12.90 1 -6 0 213.88 5.90 -1 -6 0 215.08 5.90 -1 -6 0 212.18 5.80 1 -6 0 226.48 13.90 -1 -6 0 215.98 5.80 1 6 0 213.68 5.50 1 6 0 208.68 5.80 -1 6 0 212.68 14.10 -1 6 0 200.58 6.00 1 6 0 227.88 13.10 -1 6 0 211.98 5.60 1 6 0 223.48 13.80 -1 6 0 211.48 6.00 -1 6 0 209.58 5.80 -1 6 0 219.38 14.90 1 6 0 205.18 5.80 -2 -6 0 79.89 8.00 2 -6 0 102.49 3.40 -2 -6 0 98.69 3.00 -2 -6 0 98.59 3.00 2 -6 0 97.69 10.40 -2 -6 0 99.19 3.40 -2 -6 0 93.79 2.80 2 -6 0 98.29 2.90 2 -6 0 98.59 3.30 -2 -6 0 95.89 8.10 2 -6 0 88.39 9.70 2 -6 0 95.19 3.20 2 6 0 102.09 9.80 2 6 0 96.69 3.30 -2 6 0 105.19 11.40 -2 6 0 90.99 10.80 -2 6 0 99.79 3.30 -2 6 0 99.19 2.90 -2 6 0 94.89 3.10 2 6 0 93.79 2.90 2 6 0 94.69 9.10 2 6 0 94.59 2.80 -2 6 0 95.39 3.20 3 -6 0 88.69 3.10 3 -6 0 91.39 3.20 3 -6 0 81.89 10.00 -3 -6 0 92.09 2.80 -3 -6 0 88.39 2.80 -3 -6 0 87.59 7.10 3 -6 0 90.09 3.20 -3 -6 0 88.39 6.80 3 -6 0 90.69 10.90 -3 -6 0 87.79 2.70 3 -6 0 92.29 2.80 3 6 0 89.89 2.70 3 6 0 78.89 8.90 -3 6 0 93.09 3.20 3 6 0 90.49 2.90 3 6 0 100.29 8.80 -3 6 0 93.99 11.90 3 6 0 92.39 2.50 -3 6 0 93.09 3.00 -3 6 0 82.89 3.00 -3 6 0 98.59 11.60 -3 6 0 94.09 2.80 3 6 0 91.89 2.70 3 6 0 85.29 2.90 -4 -6 0 458.05 11.70 4 -6 0 457.85 11.50 -4 -6 0 456.25 11.60 4 -6 0 461.45 12.10 -4 -6 0 457.75 15.20 4 -6 0 438.66 22.80 -4 -6 0 472.15 11.70 4 -6 0 450.15 12.10 4 -6 0 434.16 21.40 4 -6 0 453.85 11.70 4 -6 0 463.85 11.60 4 -6 0 473.75 12.20 4 6 0 442.26 11.70 -4 6 0 465.85 11.70 4 6 0 453.55 11.50 4 6 0 460.45 11.60 -4 6 0 461.75 11.80 4 6 0 478.55 18.10 4 6 0 469.85 11.80 4 6 0 459.95 11.60 -4 6 0 467.85 12.20 -4 6 0 464.95 12.50 -4 6 0 448.96 23.50 4 6 0 476.05 17.20 -4 6 0 461.25 22.70 5 -6 0 30.90 2.10 -5 -6 0 34.10 1.50 5 -6 0 49.60 9.90 -5 -6 0 33.20 1.40 5 -6 0 31.20 1.50 5 -6 0 30.00 1.90 5 -6 0 36.40 2.10 -5 -6 0 33.40 1.30 5 -6 0 38.90 11.20 5 -6 0 30.90 1.40 -5 6 0 59.19 11.40 5 6 0 34.80 1.50 -5 6 0 31.20 2.10 -5 6 0 43.40 9.80 5 6 0 37.30 4.10 5 6 0 32.90 2.00 -5 6 0 30.20 2.10 5 6 0 32.90 1.60 -5 6 0 32.80 1.70 5 6 0 34.20 3.80 -5 6 0 31.90 1.80 5 6 0 33.30 1.70 6 -6 0 44.60 2.30 6 -6 0 39.90 2.40 6 -6 0 38.60 1.60 6 -6 0 42.10 1.80 6 -6 0 43.20 9.30 6 -6 0 38.40 9.20 6 6 0 38.90 1.90 -6 6 0 39.10 2.00 -6 6 0 44.50 8.90 -6 6 0 39.10 2.00 -6 6 0 39.20 2.30 -6 6 0 29.30 8.10 6 6 0 38.50 1.80 6 6 0 38.60 1.60 6 6 0 39.70 1.80 -6 6 0 40.30 2.40 7 -6 0 7.90 8.40 7 -6 0 2.20 1.10 -7 -6 0 -0.60 0.70 7 -6 0 -11.90 9.20 7 -6 0 1.10 0.70 7 -6 0 0.10 1.00 -7 6 0 0.20 7.20 -7 6 0 0.50 0.90 -7 6 0 0.10 1.00 7 6 0 1.40 0.80 -7 6 0 -1.90 7.20 -7 6 0 0.00 1.10 8 -6 0 488.85 12.70 8 -6 0 477.65 27.80 8 -6 0 457.55 12.70 -8 -6 0 463.45 12.10 8 -6 0 447.46 26.00 8 -6 0 461.45 12.20 -8 6 0 492.15 27.40 8 6 0 477.45 12.50 -8 6 0 457.55 12.00 -8 6 0 457.45 12.80 8 6 0 474.25 12.20 -8 6 0 469.65 28.40 8 6 0 465.95 12.20 -8 6 0 470.85 12.70 -8 6 0 472.65 12.30 9 -6 0 192.08 21.60 9 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3.30 13 6 0 47.40 2.60 13 6 0 44.20 2.70 -13 6 0 41.20 3.60 13 6 0 47.60 3.10 14 -6 0 92.49 4.40 14 -6 0 99.19 4.90 14 6 0 96.49 4.40 14 6 0 98.59 4.30 -14 6 0 99.79 4.60 14 6 0 101.39 4.10 -14 6 0 98.49 4.90 14 6 0 96.39 4.80 0 -7 0 1.60 4.20 0 -7 0 -1.60 3.60 0 7 0 9.10 5.60 1 -7 0 2130.19 52.49 1 -7 0 2082.39 64.19 -1 -7 0 2176.98 52.39 -1 -7 0 2036.40 52.39 1 -7 0 2111.49 62.49 1 -7 0 2190.98 52.59 -1 -7 0 2142.69 60.69 1 -7 0 2132.59 52.09 -1 -7 0 2210.58 52.49 -1 -7 0 2056.29 52.09 1 -7 0 2158.28 52.49 -1 -7 0 2121.69 61.99 -1 7 0 2171.78 66.19 1 7 0 2199.78 62.89 -1 7 0 2089.39 52.49 -1 7 0 2163.18 52.09 1 7 0 2056.59 52.39 1 7 0 2121.49 52.39 1 7 0 2160.58 51.99 -1 7 0 2138.79 52.39 1 7 0 2163.98 64.39 -1 7 0 2189.68 64.39 -1 7 0 2016.20 52.89 1 7 0 2148.58 52.49 2 -7 0 134.29 4.20 -2 -7 0 129.59 4.00 -2 -7 0 136.19 4.10 -2 -7 0 116.49 9.40 -2 -7 0 136.89 4.00 2 -7 0 132.59 4.40 2 -7 0 135.89 4.30 2 -7 0 128.79 13.00 2 -7 0 133.39 3.80 -2 -7 0 123.89 3.80 -2 -7 0 139.69 10.20 2 -7 0 100.59 11.70 2 7 0 135.49 4.30 2 7 0 164.58 12.80 -2 7 0 128.49 3.80 -2 7 0 153.08 14.60 2 7 0 141.89 3.80 2 7 0 147.89 4.00 -2 7 0 135.09 4.10 -2 7 0 121.89 13.40 -2 7 0 137.29 4.30 -3 -7 0 229.48 6.20 3 -7 0 202.98 16.40 -3 -7 0 228.08 6.20 -3 -7 0 219.18 12.00 3 -7 0 205.38 15.50 3 -7 0 221.78 6.50 -3 -7 0 217.58 11.40 3 -7 0 229.38 7.10 -3 -7 0 231.98 6.20 3 -7 0 226.18 6.10 -3 7 0 238.08 6.60 -3 7 0 233.28 6.40 3 7 0 225.18 6.00 -3 7 0 229.18 6.10 -3 7 0 233.38 18.20 -3 7 0 209.98 16.70 3 7 0 237.58 14.70 3 7 0 223.88 5.90 3 7 0 227.88 6.30 3 7 0 262.07 14.10 4 -7 0 76.49 3.10 -4 -7 0 77.69 2.60 4 -7 0 78.59 3.20 -4 -7 0 75.89 2.50 -4 -7 0 76.19 2.60 4 -7 0 76.99 3.00 4 -7 0 68.59 11.30 4 -7 0 60.69 9.60 4 7 0 84.49 9.90 -4 7 0 78.29 3.20 4 7 0 77.69 2.50 -4 7 0 81.69 12.40 4 7 0 84.19 9.30 4 7 0 79.49 2.30 -4 7 0 75.79 2.60 4 7 0 73.39 2.40 -4 7 0 77.69 2.90 -4 7 0 83.39 14.20 4 7 0 78.19 2.80 4 7 0 77.69 2.80 -5 -7 0 292.57 7.60 5 -7 0 290.77 7.50 5 -7 0 303.17 8.30 -5 -7 0 306.07 7.70 -5 -7 0 287.97 8.10 5 -7 0 292.37 8.40 5 -7 0 280.97 8.20 5 -7 0 291.67 7.60 5 -7 0 273.07 20.60 5 7 0 306.37 12.00 5 7 0 282.87 7.70 5 7 0 297.37 8.00 5 7 0 290.67 11.10 5 7 0 289.47 7.70 -5 7 0 297.57 8.40 -5 7 0 302.07 21.90 -5 7 0 303.67 8.00 -5 7 0 295.87 7.90 5 7 0 271.87 7.70 5 7 0 307.47 7.80 -5 7 0 300.37 20.70 6 -7 0 533.35 13.40 6 -7 0 483.95 28.10 -6 -7 0 538.75 13.30 6 -7 0 509.55 13.20 6 -7 0 543.85 14.00 6 -7 0 532.05 27.50 6 -7 0 522.35 14.10 -6 -7 0 526.65 13.20 -6 -7 0 526.45 13.40 -6 7 0 522.45 29.70 -6 7 0 525.15 13.50 6 7 0 525.45 13.60 -6 7 0 529.35 28.20 6 7 0 527.05 13.50 6 7 0 511.05 13.20 -6 7 0 532.35 14.10 -6 7 0 537.15 13.60 6 7 0 519.45 13.30 7 -7 0 477.55 33.50 -7 -7 0 372.26 10.00 7 -7 0 378.76 10.10 7 -7 0 386.16 10.60 7 -7 0 381.76 24.70 7 -7 0 384.66 10.80 7 7 0 378.26 10.20 7 7 0 372.96 10.00 -7 7 0 386.66 10.20 -7 7 0 375.86 10.20 -7 7 0 388.66 10.70 8 -7 0 449.46 27.90 8 -7 0 441.36 12.10 8 -7 0 432.96 12.10 8 -7 0 465.65 29.00 8 -7 0 429.26 11.50 -8 -7 0 422.86 11.40 -8 7 0 446.96 12.20 -8 7 0 430.76 28.80 8 7 0 432.66 11.60 8 7 0 443.26 11.40 -8 7 0 434.16 11.50 8 7 0 443.06 11.80 -8 7 0 434.36 11.60 9 -7 0 297.87 26.30 9 -7 0 295.77 9.00 9 -7 0 296.87 26.70 9 -7 0 301.57 8.40 -9 7 0 306.27 9.10 9 7 0 305.87 8.40 9 7 0 306.97 8.40 -9 7 0 295.07 8.20 -9 7 0 306.17 27.60 -9 7 0 319.07 26.80 -9 7 0 301.97 8.50 9 7 0 306.07 8.70 10 -7 0 3.50 12.80 10 -7 0 5.70 1.60 10 -7 0 20.10 13.90 10 -7 0 5.40 1.50 10 -7 0 5.20 1.20 -10 7 0 7.00 1.70 10 7 0 6.70 1.20 -10 7 0 7.20 1.50 10 7 0 5.30 1.30 10 7 0 6.00 1.20 -10 7 0 5.60 1.00 10 7 0 6.30 1.50 -10 7 0 9.80 14.80 -10 7 0 7.60 14.20 11 -7 0 1.90 1.60 11 -7 0 1.90 1.20 11 -7 0 2.20 1.60 -11 7 0 4.20 1.70 11 7 0 5.10 1.40 11 7 0 2.10 1.50 -11 7 0 4.00 1.50 11 7 0 4.30 1.10 12 -7 0 60.39 3.30 12 -7 0 60.79 3.80 -12 7 0 56.09 2.30 12 7 0 64.39 3.00 12 7 0 64.69 3.30 12 7 0 60.29 3.00 -12 7 0 58.69 4.00 12 7 0 55.99 3.50 -12 7 0 57.99 3.50 13 -7 0 4.30 3.20 13 -7 0 4.30 1.40 13 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63.99 8.90 5 8 0 46.70 7.40 -5 8 0 18.80 9.40 -6 -8 0 85.89 2.80 6 -8 0 90.29 2.90 6 -8 0 126.29 23.20 -6 -8 0 85.89 2.90 6 -8 0 87.59 3.70 6 -8 0 82.09 3.70 -6 -8 0 88.49 3.00 -6 8 0 86.59 3.90 -6 8 0 88.99 21.40 6 8 0 85.69 3.10 6 8 0 77.99 2.70 -6 8 0 116.09 16.70 -6 8 0 89.49 3.40 -6 8 0 90.09 3.20 6 8 0 88.09 3.30 6 8 0 86.59 2.90 7 -8 0 78.79 14.90 7 -8 0 80.09 15.80 7 -8 0 76.09 3.70 -7 -8 0 80.49 2.90 7 -8 0 82.39 2.90 7 -8 0 69.59 2.90 7 8 0 79.09 2.90 -7 8 0 77.59 25.50 -7 8 0 79.99 3.20 -7 8 0 83.89 3.20 -7 8 0 82.09 3.90 7 8 0 84.79 3.30 -7 8 0 85.19 12.90 8 -8 0 123.79 18.70 8 -8 0 90.09 3.20 8 -8 0 89.29 4.20 -8 -8 0 88.29 3.20 8 -8 0 73.99 17.10 8 -8 0 84.39 3.90 -8 8 0 63.49 13.70 8 8 0 88.29 3.50 -8 8 0 88.09 4.10 8 8 0 85.09 3.10 -8 8 0 85.89 3.40 -8 8 0 85.89 16.40 8 8 0 86.29 3.90 -8 8 0 89.79 3.50 9 -8 0 31.70 2.90 9 -8 0 31.90 2.80 -9 -8 0 34.50 2.10 9 -8 0 27.10 15.40 9 -8 0 43.00 15.10 9 -8 0 29.10 2.20 9 8 0 32.20 2.50 -9 8 0 52.79 22.50 9 8 0 34.30 2.40 -9 8 0 33.40 2.30 -9 8 0 33.00 3.10 9 8 0 31.70 2.20 -9 8 0 37.20 13.70 10 -8 0 16.60 2.10 10 -8 0 -13.40 15.70 10 -8 0 12.10 1.40 10 -8 0 32.40 16.40 10 -8 0 12.80 1.70 -10 8 0 16.00 2.10 -10 8 0 39.10 16.20 10 8 0 14.00 1.60 10 8 0 14.00 1.50 -10 8 0 13.40 1.40 10 8 0 12.70 1.60 -10 8 0 25.20 15.80 10 8 0 14.20 1.70 11 -8 0 3.10 1.20 11 -8 0 -0.30 1.60 11 8 0 1.20 1.40 -11 8 0 4.10 1.50 -11 8 0 3.10 1.80 -11 8 0 2.30 1.00 11 8 0 2.50 1.30 11 8 0 2.70 1.10 12 -8 0 61.29 4.00 12 -8 0 53.29 3.20 -12 8 0 49.90 2.50 12 8 0 57.49 3.70 12 8 0 62.59 3.20 12 8 0 62.49 3.30 12 8 0 58.09 3.00 -12 8 0 64.99 3.60 -12 8 0 67.39 4.30 0 -9 0 -1.20 6.90 0 -9 0 -4.00 6.80 0 -9 0 -0.30 0.70 0 -9 0 -0.60 0.90 0 -9 0 -1.00 0.80 0 -9 0 -0.90 0.90 0 9 0 5.10 9.00 0 9 0 0.40 0.70 0 9 0 -1.80 1.00 0 9 0 -1.30 1.00 0 9 0 -3.10 7.80 -1 -9 0 0.00 0.60 1 -9 0 -3.30 7.60 1 -9 0 0.50 7.90 1 -9 0 0.40 1.10 -1 -9 0 -4.60 6.70 -1 -9 0 3.90 6.90 -1 -9 0 0.20 1.00 1 -9 0 0.40 1.00 1 -9 0 0.50 0.70 -1 -9 0 0.70 0.90 1 -9 0 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4.70 -4 -9 0 132.09 4.10 -4 -9 0 126.79 4.00 4 -9 0 107.49 16.00 4 -9 0 122.19 17.60 4 9 0 122.99 3.70 4 9 0 154.68 16.00 -4 9 0 141.39 18.80 -4 9 0 129.99 4.40 4 9 0 164.48 15.00 -4 9 0 147.09 21.90 -4 9 0 127.59 5.50 -4 9 0 128.29 4.00 4 9 0 130.49 4.40 4 9 0 119.49 3.80 5 -9 0 95.19 13.90 5 -9 0 117.09 4.40 -5 -9 0 118.29 3.80 5 -9 0 112.69 4.50 -5 -9 0 115.09 3.70 -5 -9 0 119.99 3.90 -5 9 0 115.49 4.60 5 9 0 118.39 3.50 -5 9 0 115.39 3.80 -5 9 0 116.89 4.20 5 9 0 124.09 5.60 -5 9 0 150.08 19.20 5 9 0 119.89 14.10 5 9 0 108.89 12.60 -5 9 0 125.19 19.70 -6 -9 0 49.80 2.30 6 -9 0 51.49 3.20 -6 -9 0 50.69 2.10 -6 -9 0 56.09 2.30 6 -9 0 50.89 3.10 6 -9 0 35.10 12.80 6 -9 0 26.20 12.50 -6 9 0 52.79 2.60 -6 9 0 44.00 14.50 6 9 0 55.39 2.80 6 9 0 47.30 3.00 -6 9 0 52.69 2.90 -6 9 0 61.29 16.10 6 9 0 52.59 2.30 6 9 0 49.70 6.50 -6 9 0 48.40 3.20 6 9 0 50.29 1.90 7 -9 0 11.50 1.40 7 -9 0 11.90 1.70 7 -9 0 10.50 2.70 7 -9 0 8.40 12.20 7 -9 0 -10.10 11.60 -7 -9 0 8.50 1.20 -7 -9 0 7.90 0.90 -7 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0 -10 0 61.29 3.40 0 -10 0 69.19 11.60 0 -10 0 68.39 3.00 0 -10 0 71.29 12.80 0 10 0 65.69 3.00 0 10 0 69.19 2.40 0 10 0 71.19 13.50 0 10 0 73.19 3.30 0 10 0 91.19 15.10 1 -10 0 -0.30 1.00 -1 -10 0 0.50 0.90 1 -10 0 1.70 1.20 -1 -10 0 6.30 7.20 -1 -10 0 -0.30 1.00 1 -10 0 1.70 1.00 -1 -10 0 0.60 0.50 -1 -10 0 1.20 0.70 -1 -10 0 -3.50 7.30 1 10 0 0.80 1.20 -1 10 0 10.60 10.60 -1 10 0 -0.70 1.50 -1 10 0 0.30 1.10 1 10 0 0.90 0.80 -1 10 0 -4.90 10.30 1 10 0 11.90 9.30 1 10 0 11.60 10.10 2 -10 0 70.39 13.10 -2 -10 0 77.59 3.00 -2 -10 0 73.49 10.80 2 -10 0 72.99 3.50 2 -10 0 68.89 3.20 2 -10 0 73.29 3.20 -2 -10 0 71.89 3.00 -2 -10 0 82.59 12.10 2 -10 0 51.89 12.30 -2 -10 0 77.79 3.20 2 10 0 80.29 3.40 2 10 0 67.19 2.50 2 10 0 74.59 2.50 -2 10 0 78.29 14.00 -2 10 0 70.29 3.40 -2 10 0 75.89 15.70 2 10 0 93.89 15.40 2 10 0 75.19 12.90 -3 -10 0 26.00 1.90 3 -10 0 24.50 11.60 -3 -10 0 22.70 2.10 3 -10 0 21.80 2.50 3 -10 0 28.50 2.30 3 -10 0 24.00 11.60 3 -10 0 25.00 2.30 -3 -10 0 28.70 1.90 -3 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28.40 2.70 -4 11 0 31.90 2.10 -4 11 0 33.40 2.80 4 11 0 55.79 13.10 5 -11 0 85.89 28.80 -5 -11 0 82.39 3.40 5 -11 0 86.29 3.80 5 -11 0 102.39 26.60 -5 -11 0 80.79 3.20 5 -11 0 82.29 4.10 -5 -11 0 76.59 3.20 5 11 0 75.89 12.70 5 11 0 84.09 3.80 -5 11 0 82.49 3.80 -5 11 0 86.19 3.20 5 11 0 97.39 13.90 6 -11 0 21.00 2.90 -6 -11 0 16.00 2.00 6 -11 0 18.80 2.60 -6 -11 0 19.40 1.80 -6 -11 0 17.80 1.90 6 11 0 20.70 2.60 6 11 0 21.20 1.60 -6 11 0 18.20 2.00 -6 11 0 17.80 2.20 -7 -11 0 4.80 1.20 -7 -11 0 5.40 1.00 7 -11 0 4.10 1.60 -7 -11 0 4.50 1.40 7 11 0 4.50 1.00 7 11 0 4.30 1.60 -7 11 0 5.10 1.40 -7 11 0 4.30 1.60 8 -11 0 10.50 2.00 8 -11 0 11.00 2.50 -8 -11 0 10.20 1.40 -8 11 0 14.30 1.70 -8 11 0 12.00 1.90 0 -12 0 78.09 3.80 0 -12 0 82.39 3.40 0 12 0 81.99 3.90 -1 -12 0 47.80 2.70 -1 -12 0 46.40 3.00 1 -12 0 47.10 2.80 1 -12 0 49.40 3.20 -1 12 0 46.90 2.20 1 12 0 52.29 3.30 -1 12 0 50.09 3.30 2 -12 0 75.59 3.90 2 -12 0 80.19 4.00 -2 -12 0 75.99 3.30 -2 -12 0 82.99 3.70 -2 12 0 78.09 2.90 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3 -3.50 10.30 -11 3 3 4.70 1.20 -11 3 3 5.10 0.70 11 3 -3 3.00 1.20 -11 3 3 4.40 1.30 11 3 -3 4.30 0.90 -10 -3 3 167.88 5.00 10 -3 -3 159.78 16.20 10 -3 -3 161.68 4.60 10 -3 -3 171.18 5.20 -10 -3 3 168.68 4.70 10 -3 -3 170.28 5.30 10 -3 -3 163.38 5.10 10 -3 -3 130.79 15.20 -10 3 3 171.38 17.30 -10 3 3 168.38 16.30 -10 3 3 172.28 5.40 10 3 -3 169.08 5.30 10 3 -3 166.38 4.80 -10 3 3 171.28 4.60 -10 3 3 167.28 5.10 9 -3 -3 211.38 6.20 -9 -3 3 215.88 5.70 9 -3 -3 199.28 15.70 9 -3 -3 214.78 6.20 9 -3 -3 224.18 17.10 -9 -3 3 211.18 6.00 9 -3 -3 212.58 5.70 9 -3 -3 214.48 6.20 -9 3 3 200.48 17.20 -9 3 3 195.38 16.00 -9 3 3 201.68 6.30 9 3 -3 202.58 6.00 9 3 -3 217.28 6.20 -9 3 3 213.88 6.30 -9 3 3 207.08 6.00 -9 3 3 215.58 5.60 8 -3 -3 809.82 19.80 8 -3 -3 756.12 30.00 8 -3 -3 776.22 19.60 8 -3 -3 784.62 31.70 8 -3 -3 779.92 19.70 -8 -3 3 788.02 19.20 8 -3 -3 752.22 19.20 -8 3 3 708.83 30.00 8 3 -3 784.02 19.90 -8 3 3 757.62 32.10 -8 3 3 794.22 19.20 8 3 -3 745.63 19.10 -8 3 3 771.82 19.70 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13.50 1.90 -12 3 -3 25.90 12.10 -12 3 -3 16.30 2.40 -13 -3 -3 -0.20 1.40 -13 -3 -3 2.10 1.30 13 -3 3 4.10 1.50 13 -3 3 1.80 1.40 -13 -3 -3 0.50 0.90 -13 -3 -3 1.00 0.80 13 3 3 2.20 1.40 -13 3 -3 1.50 1.40 -13 3 -3 2.20 1.60 -14 -3 -3 98.19 3.50 -14 -3 -3 107.29 3.80 -14 -3 -3 105.29 4.30 14 -3 3 95.79 6.50 14 -3 3 108.29 4.70 14 3 3 105.79 4.50 -14 3 -3 107.89 5.20 -14 3 -3 111.89 4.70 14 3 3 105.79 5.00 16 -4 -3 58.69 4.00 16 4 -3 60.09 4.00 16 4 -3 59.69 2.80 16 4 -3 69.09 3.50 -16 4 3 68.19 4.80 -16 4 3 73.39 4.00 15 -4 -3 43.10 3.40 15 -4 -3 46.50 3.50 15 4 -3 42.90 3.60 -15 4 3 45.40 3.80 -15 4 3 47.50 3.40 15 4 -3 43.00 3.40 15 4 -3 42.60 2.40 15 4 -3 45.80 2.80 14 -4 -3 131.89 5.20 -14 -4 3 124.69 4.20 14 -4 -3 125.69 5.00 -14 4 3 136.79 5.00 14 4 -3 133.49 4.60 14 4 -3 128.49 5.30 14 4 -3 128.59 5.00 -14 4 3 140.59 5.40 13 -4 -3 31.10 2.90 -13 -4 3 32.90 2.00 13 -4 -3 40.30 2.90 -13 4 3 36.30 2.90 13 4 -3 34.20 2.80 13 4 -3 35.20 2.30 -13 4 3 33.40 2.90 -13 4 3 34.60 3.20 13 4 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-4 14.10 1.70 12 -5 -4 12.00 1.60 12 -5 -4 13.40 1.90 12 -5 -4 9.70 12.10 12 -5 -4 23.90 12.90 -12 5 4 11.90 1.50 12 5 -4 16.30 1.70 12 5 -4 13.20 1.80 -12 5 4 14.40 1.70 -12 5 4 35.30 13.90 -12 5 4 14.50 2.00 -12 5 4 13.70 13.80 -12 5 4 14.30 1.90 -11 -5 4 25.40 1.80 11 -5 -4 26.50 2.30 11 -5 -4 20.90 2.50 11 -5 -4 17.20 2.10 11 5 -4 17.70 2.30 -11 5 4 19.30 2.10 -11 5 4 27.90 2.30 11 5 -4 22.60 2.30 -11 5 4 19.70 1.70 11 5 -4 22.50 1.60 -11 5 4 19.20 2.50 10 -5 -4 393.86 10.50 10 -5 -4 392.96 10.70 -10 -5 4 386.86 10.10 10 -5 -4 364.66 26.10 10 -5 -4 378.26 11.20 10 -5 -4 338.37 24.20 10 5 -4 391.86 10.40 -10 5 4 387.46 10.30 -10 5 4 358.06 26.50 -10 5 4 344.27 25.10 -10 5 4 373.46 10.80 -10 5 4 402.76 10.90 -10 5 4 388.36 10.00 10 5 -4 380.16 10.60 10 5 -4 379.86 10.00 9 -5 -4 26.80 2.20 9 -5 -4 27.50 2.10 9 -5 -4 30.80 2.40 9 -5 -4 31.10 10.60 -9 -5 4 26.10 1.70 9 -5 -4 22.30 9.30 9 5 -4 28.40 2.10 -9 5 4 52.49 12.10 -9 5 4 27.30 2.00 -9 5 4 27.60 1.80 9 5 -4 26.80 1.50 -9 5 4 30.80 2.40 9 5 -4 26.40 2.10 -9 5 4 27.70 2.60 -9 5 4 37.90 15.30 -8 -5 4 1952.40 48.60 8 -5 -4 1968.20 49.20 8 -5 -4 2055.89 66.29 8 -5 -4 2006.20 63.59 8 -5 -4 1999.60 49.20 -8 5 4 1987.30 49.10 -8 5 4 1913.91 49.30 -8 5 4 1928.91 66.49 8 5 -4 1992.00 48.80 -8 5 4 2015.20 64.69 8 5 -4 1936.51 48.40 8 5 -4 1961.20 48.40 -8 5 4 2022.50 49.30 8 5 -4 1995.10 49.00 -8 5 4 1981.10 49.00 7 -5 -4 91.89 3.50 7 -5 -4 89.79 3.10 -7 -5 4 83.89 2.50 7 -5 -4 105.99 13.20 -7 -5 4 88.69 2.90 7 -5 -4 81.19 2.90 7 -5 -4 90.79 3.40 7 -5 -4 98.79 13.50 -7 -5 4 88.19 2.50 7 5 -4 86.59 3.10 -7 5 4 91.69 4.80 7 5 -4 90.29 5.30 7 5 -4 94.29 6.20 7 5 -4 87.79 2.60 -7 5 4 86.59 2.90 -7 5 4 88.99 3.30 7 5 -4 86.19 5.60 7 5 -4 86.29 3.10 7 5 -4 88.59 2.80 -7 5 4 90.19 3.60 -7 5 4 100.79 15.40 7 5 -4 87.99 2.60 -7 5 4 111.89 14.40 7 5 -4 85.99 5.60 6 -5 -4 1198.88 42.40 -6 -5 4 1185.78 29.90 -6 -5 4 1220.38 30.20 6 -5 -4 1246.78 30.70 -6 -5 4 1255.77 29.90 6 -5 -4 1240.58 44.60 6 -5 -4 1182.98 30.60 6 -5 -4 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4.10 -11 7 4 120.79 4.30 11 7 -4 110.89 3.70 11 7 -4 119.59 4.60 -11 7 4 146.89 22.30 -11 7 4 116.49 5.10 11 7 -4 119.39 5.90 -11 7 4 111.79 4.00 10 -7 -4 402.86 11.40 10 -7 -4 378.36 11.30 10 -7 -4 447.36 37.30 10 -7 -4 394.56 10.90 10 -7 -4 404.86 29.10 -10 7 4 413.26 10.80 -10 7 4 381.16 30.80 10 7 -4 391.86 10.40 10 7 -4 397.26 11.00 10 7 -4 417.86 12.00 -10 7 4 415.36 11.70 -10 7 4 394.66 10.70 10 7 -4 390.76 10.80 9 -7 -4 230.58 23.50 9 -7 -4 272.97 7.80 9 -7 -4 271.67 8.40 9 -7 -4 266.97 8.20 -9 7 4 280.37 8.60 9 7 -4 273.07 7.90 -9 7 4 280.17 7.70 9 7 -4 288.17 7.80 9 7 -4 280.37 7.70 9 7 -4 274.17 7.70 -9 7 4 266.57 7.70 -9 7 4 308.17 27.00 -9 7 4 260.67 25.10 8 -7 -4 253.27 7.50 8 -7 -4 231.08 21.40 8 -7 -4 250.27 7.60 8 -7 -4 241.48 22.60 8 -7 -4 254.37 7.70 -8 -7 4 240.28 6.50 8 7 -4 246.48 7.20 -8 7 4 263.27 7.90 8 7 -4 248.98 7.10 8 7 -4 253.57 7.00 8 7 -4 245.98 6.60 -8 7 4 251.47 6.90 -8 7 4 257.17 7.20 -8 7 4 258.37 24.40 8 7 -4 243.78 7.20 -8 7 4 267.77 23.80 7 -7 -4 74.19 3.40 7 -7 -4 88.59 14.20 7 -7 -4 79.99 2.90 7 -7 -4 92.39 15.10 7 -7 -4 78.99 3.50 -7 -7 4 73.59 2.40 -7 7 4 75.99 3.80 7 7 -4 80.79 6.50 7 7 -4 75.39 2.90 7 7 -4 74.59 2.90 7 7 -4 71.89 2.40 7 7 -4 72.89 8.10 -7 7 4 60.29 14.00 -7 7 4 74.49 3.20 -7 7 4 81.19 2.80 7 7 -4 76.99 2.40 7 7 -4 71.99 2.50 -7 7 4 95.29 18.60 7 7 -4 78.89 7.00 7 7 -4 80.19 7.70 7 7 -4 78.19 2.90 6 -7 -4 569.04 14.50 6 -7 -4 571.74 15.10 6 -7 -4 586.44 15.10 6 -7 -4 547.05 29.50 -6 -7 4 550.14 14.20 6 -7 -4 544.65 14.90 6 -7 -4 559.44 14.20 6 -7 -4 562.54 28.30 6 -7 -4 551.74 14.30 -6 -7 4 553.34 14.10 6 7 -4 549.45 19.70 -6 7 4 623.14 32.70 6 7 -4 569.54 14.10 6 7 -4 569.74 14.50 6 7 -4 584.64 14.50 -6 7 4 578.44 30.30 6 7 -4 569.04 19.10 -6 7 4 590.14 15.20 6 7 -4 592.34 21.40 6 7 -4 579.24 20.30 6 7 -4 548.65 14.40 -6 7 4 575.94 14.30 6 7 -4 542.75 14.30 -6 7 4 574.34 14.80 5 -7 -4 168.58 16.80 -5 -7 4 171.48 4.90 -5 -7 4 167.88 4.60 5 -7 -4 178.88 5.50 5 -7 -4 178.68 5.70 5 -7 -4 176.48 6.20 5 -7 -4 178.38 4.70 5 -7 -4 179.88 5.00 5 -7 -4 182.08 16.60 -5 7 4 185.78 19.50 5 7 -4 180.38 5.10 -5 7 4 194.18 18.60 5 7 -4 176.88 4.60 5 7 -4 183.88 12.00 -5 7 4 175.48 5.40 5 7 -4 185.58 11.20 -5 7 4 180.88 4.80 5 7 -4 183.28 10.40 5 7 -4 170.18 11.00 5 7 -4 173.18 5.10 5 7 -4 166.78 4.90 -5 7 4 179.58 5.80 4 -7 -4 1993.00 49.00 4 -7 -4 2024.80 49.00 4 -7 -4 2018.20 48.30 4 -7 -4 2017.10 48.10 4 -7 -4 1903.01 61.59 -4 -7 4 2007.80 48.40 -4 -7 4 1933.11 48.40 4 -7 -4 1923.11 48.90 -4 -7 4 1932.51 48.10 4 -7 -4 1950.50 63.99 4 7 -4 1966.10 48.60 -4 7 4 1892.41 48.30 -4 7 4 1957.90 49.00 -4 7 4 2013.60 64.49 4 7 -4 1952.70 48.30 4 7 -4 1991.40 48.50 4 7 -4 1999.70 57.49 -4 7 4 2019.20 66.89 4 7 -4 1942.71 56.29 -4 7 4 1979.50 48.70 4 7 -4 2001.90 56.19 4 7 -4 1966.90 55.19 -4 7 4 1963.90 48.10 3 -7 -4 303.27 8.50 -3 -7 4 300.37 8.00 3 -7 -4 298.47 7.70 3 -7 -4 307.47 8.50 -3 -7 4 297.57 7.60 3 -7 -4 309.27 18.60 3 -7 -4 296.17 8.40 3 -7 -4 292.07 19.10 -3 -7 4 294.27 8.00 3 7 -4 307.37 8.00 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179.18 5.50 4 -4 -9 177.88 4.70 4 -4 -9 182.28 5.50 4 -4 -9 169.98 14.00 -4 -4 9 196.48 5.30 -4 -4 9 181.78 12.70 4 4 -9 191.38 12.80 4 4 -9 187.58 5.30 -4 4 9 182.98 16.10 -4 4 9 178.88 5.30 4 4 -9 183.78 5.00 -4 4 9 190.18 5.70 4 4 -9 202.58 12.30 4 4 -9 188.28 5.40 -4 4 9 181.78 15.30 -3 -4 9 11.40 1.30 3 -4 -9 10.70 4.80 -3 -4 9 9.80 1.10 -3 -4 9 7.60 4.90 3 -4 -9 9.30 1.20 3 -4 -9 11.20 1.50 -3 -4 9 2.70 6.80 3 -4 -9 7.40 4.60 -3 -4 9 8.90 1.20 -3 -4 9 12.60 1.50 3 -4 -9 7.90 1.30 3 -4 -9 9.50 1.10 -3 4 9 15.50 6.60 3 4 -9 12.90 4.60 -3 4 9 10.20 1.10 3 4 -9 7.80 1.00 3 4 -9 7.50 4.10 3 4 -9 8.80 1.10 -3 4 9 9.30 6.70 -3 4 9 6.80 1.10 3 4 -9 10.30 1.10 2 -4 -9 48.20 8.90 2 -4 -9 40.70 2.00 2 -4 -9 50.19 8.70 -2 -4 9 33.40 6.60 -2 -4 9 65.79 10.50 -2 -4 9 38.30 2.10 2 -4 -9 41.80 2.20 -2 -4 9 43.20 2.10 2 -4 -9 47.90 2.20 -2 -4 9 42.70 1.90 -2 -4 9 46.70 1.70 2 4 -9 30.90 5.90 2 4 -9 43.00 2.20 -2 4 9 34.60 7.50 -2 4 9 39.50 2.30 -2 4 9 42.50 2.10 2 4 -9 40.40 7.40 2 4 -9 43.60 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624.64 26.80 -3 4 -9 608.94 15.70 3 4 9 591.84 24.40 -3 4 -9 580.54 26.30 -3 4 -9 604.94 28.00 -4 -4 -9 10.10 5.50 -4 -4 -9 5.40 0.90 -4 -4 -9 3.00 0.80 -4 -4 -9 3.70 1.10 -4 -4 -9 6.80 1.10 4 -4 9 4.00 0.90 -4 -4 -9 3.90 5.80 4 -4 9 3.90 1.20 -4 -4 -9 4.30 0.80 -4 4 -9 3.70 0.90 -4 4 -9 -3.60 6.90 -4 4 -9 2.60 1.00 4 4 9 3.20 6.00 4 4 9 3.80 0.70 -4 4 -9 7.10 8.40 -4 4 -9 3.70 6.00 4 4 9 12.40 6.90 -4 4 -9 5.20 1.20 -4 4 -9 0.50 6.20 -4 4 -9 4.30 1.00 -5 -4 -9 57.19 7.90 -5 -4 -9 58.19 2.80 5 -4 9 58.89 2.50 -5 -4 -9 56.19 2.20 -5 -4 -9 52.29 8.40 5 -4 9 56.49 2.90 5 4 9 52.99 2.90 -5 4 -9 47.90 11.30 -5 4 -9 61.79 11.40 -5 4 -9 55.69 2.70 5 4 9 59.39 9.60 5 4 9 54.79 8.30 -5 4 -9 57.19 2.60 -5 4 -9 51.39 2.60 -5 4 -9 60.19 11.30 -6 -4 -9 2.90 1.10 -6 -4 -9 -4.10 5.80 -6 -4 -9 2.70 0.80 6 -4 9 3.70 1.10 -6 -4 -9 3.30 0.90 -6 -4 -9 3.00 1.20 6 -4 9 6.00 2.10 -6 -4 -9 5.70 6.50 -6 -4 -9 3.70 0.90 -6 4 -9 4.50 1.20 -6 4 -9 3.40 1.10 6 4 9 3.20 0.90 6 4 9 4.80 7.10 -6 4 -9 17.50 11.30 6 4 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116.69 5.10 9 4 -19 108.89 4.90 -9 4 19 107.99 4.60 9 4 -19 100.99 5.00 8 -4 -19 -1.80 1.30 8 -4 -19 1.30 1.60 -8 -4 19 1.80 1.70 8 -4 -19 0.60 1.00 8 -4 -19 -0.70 1.40 -8 -4 19 1.10 1.40 8 4 -19 1.00 1.50 8 4 -19 1.50 2.80 7 -4 -19 89.69 4.90 7 -4 -19 78.69 3.90 7 -4 -19 84.89 3.10 -7 -4 19 91.59 4.60 7 -4 -19 71.29 4.50 -7 -4 19 91.29 3.70 7 4 -19 83.99 4.20 -7 4 19 87.09 4.40 -6 -4 19 0.80 1.70 6 -4 -19 -1.20 0.90 6 -4 -19 1.50 1.60 -6 -4 19 1.10 1.30 6 -4 -19 -0.70 1.30 6 -4 -19 1.30 1.40 -6 4 19 2.10 1.60 6 4 -19 -0.50 1.40 -5 -4 19 144.29 4.80 -5 -4 19 148.29 5.80 5 -4 -19 140.89 5.60 5 -4 -19 142.09 4.30 5 -4 -19 136.09 5.40 5 -4 -19 138.59 5.20 -5 4 19 144.49 5.10 5 4 -19 123.39 7.30 5 4 -19 141.79 5.40 4 -4 -19 1.50 1.30 -4 -4 19 2.60 1.20 -4 -4 19 2.50 2.20 4 -4 -19 1.40 1.40 4 -4 -19 2.70 1.60 4 -4 -19 1.10 1.00 4 4 -19 0.80 1.40 -4 4 19 0.60 1.40 4 4 -19 1.80 1.80 -10 0 20 116.89 5.50 10 0 -20 99.69 3.80 10 0 -20 116.89 4.60 10 0 -20 116.59 5.30 -10 0 20 105.69 4.40 9 0 -20 0.40 1.00 -9 0 20 0.70 1.90 9 0 -20 2.40 1.70 9 0 -20 2.50 1.50 8 0 -20 55.09 2.60 8 0 -20 65.59 3.50 -8 0 20 66.39 4.50 -8 0 20 60.69 3.30 8 0 -20 65.99 4.10 7 0 -20 44.30 3.70 7 0 -20 42.90 2.30 7 0 -20 40.70 3.00 -7 0 20 44.20 2.90 -7 0 20 42.30 4.00 6 0 -20 253.07 35.50 6 0 -20 238.18 7.80 -6 0 20 224.78 8.00 -6 0 20 224.08 6.90 6 0 -20 230.08 7.10 6 0 -20 216.08 7.30 6 0 -20 190.88 31.00 5 0 -20 21.70 2.60 5 0 -20 23.00 2.60 -5 0 20 20.20 2.40 5 0 -20 19.00 2.30 5 0 -20 20.00 1.90 -4 0 20 114.89 4.20 4 0 -20 107.59 3.80 -10 -1 20 83.19 4.70 10 -1 -20 85.59 4.50 10 -1 -20 70.59 3.40 10 -1 -20 80.89 3.70 -10 -1 20 74.79 3.70 -10 1 20 70.59 3.70 10 1 -20 83.89 4.00 -10 1 20 76.69 4.80 10 1 -20 76.79 4.40 9 -1 -20 10.90 1.50 9 -1 -20 16.00 2.30 9 -1 -20 13.10 1.80 -9 -1 20 12.20 2.20 -9 1 20 9.80 2.70 9 1 -20 13.60 1.90 9 1 -20 11.10 2.10 -9 1 20 10.90 2.40 8 -1 -20 36.10 2.40 -8 -1 20 42.00 4.00 -8 -1 20 37.70 2.80 8 -1 -20 39.90 3.60 8 -1 -20 41.30 2.90 8 1 -20 42.00 3.20 8 1 -20 38.10 3.50 8 1 -20 37.20 2.10 -8 1 20 37.00 2.90 -8 1 20 39.60 4.00 -7 -1 20 68.89 4.30 7 -1 -20 59.19 2.90 7 -1 -20 66.09 3.30 -7 -1 20 59.19 3.20 7 -1 -20 67.09 4.10 7 -1 -20 82.69 28.70 7 -1 -20 57.99 3.70 7 -1 -20 92.69 30.00 7 1 -20 67.59 3.70 -7 1 20 63.69 4.50 7 1 -20 60.49 2.50 7 1 -20 71.19 4.20 -7 1 20 64.69 3.40 -6 -1 20 7.90 1.50 6 -1 -20 9.30 1.70 -6 -1 20 10.70 2.10 6 -1 -20 8.30 1.60 6 -1 -20 9.70 1.40 6 -1 -20 8.50 1.90 6 1 -20 8.60 1.90 6 1 -20 10.20 1.10 -6 1 20 10.20 1.60 6 1 -20 9.10 1.80 5 -1 -20 196.98 7.00 -5 -1 20 189.08 6.00 5 -1 -20 188.18 6.10 5 -1 -20 187.98 5.80 5 -1 -20 185.48 6.50 -5 1 20 198.08 6.10 5 1 -20 194.88 6.40 5 1 -20 192.98 6.90 5 1 -20 183.48 5.50 9 -2 -20 8.80 1.50 9 -2 -20 8.10 1.90 9 -2 -20 5.20 1.50 -9 -2 20 6.60 2.00 -9 -2 20 6.00 2.50 9 2 -20 7.30 1.90 9 2 -20 5.70 1.90 -9 2 20 3.60 2.10 -9 2 20 4.50 1.60 8 -2 -20 111.09 4.40 -8 -2 20 125.89 5.40 8 -2 -20 129.49 5.40 -8 -2 20 118.39 4.50 8 -2 -20 122.69 4.40 -8 2 20 111.09 6.00 8 2 -20 126.89 5.10 8 2 -20 124.09 5.40 -7 -2 20 54.59 3.00 7 -2 -20 45.50 2.80 7 -2 -20 47.50 3.30 -7 -2 20 57.29 4.00 7 -2 -20 59.39 3.90 7 -2 -20 49.90 2.80 7 2 -20 50.49 3.90 7 2 -20 49.40 3.50 -7 2 20 51.49 3.20 6 -2 -20 -0.60 1.20 6 -2 -20 2.20 1.40 6 -2 -20 -0.50 1.50 6 -2 -20 0.50 1.20 -6 -2 20 2.40 1.30 -6 -2 20 2.50 1.80 -6 2 20 1.90 1.40 6 2 -20 3.20 1.60 6 2 -20 1.90 1.60 -5 -2 20 -1.10 1.20 -5 2 20 1.00 1.40 0 0 0 0.00 0.00 _computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)' ; _shelx_hkl_checksum 48336 _shelx_res_file ; TITL GNHDS1262024_0m_a.res in P2(1)/c GNHDS1262024_0m_a.res created by SHELXL-2018/3 at 17:29:39 on 22-Jun-2024 REM Old TITL GNHDS1262024_0m in P2(1)/c REM SHELXT solution in P2(1)/c: R1 0.110, Rweak 0.005, Alpha 0.025 REM 2.660 for 228 systematic absences, Orientation as input REM Formula found by SHELXT: C9 Cl6 Ga2 O2 Ru CELL 0.71073 13.1598 9.7142 15.3369 90.000 115.257 90.000 ZERR 4.000 0.0006 0.0004 0.0007 0.000 0.001 0.000 LATT 1 SYMM -X, 1/2+Y, 1/2-Z SFAC C H CL GA O RU UNIT 36 32 24 8 8 4 ACTA TEMP -25.150 SIZE 0.31 0.34 0.36 L.S. 10 BOND LIST 6 FMAP 2 PLAN 20 WGHT 0.017900 1.056600 FVAR 0.28468 RU1 6 0.243006 0.667764 0.550049 11.00000 0.02522 0.02903 = 0.02071 0.00055 0.01024 -0.00104 GA1 4 0.375873 0.529470 0.684547 11.00000 0.02861 0.03056 = 0.02508 0.00206 0.01183 0.00314 GA2 4 0.218614 0.260354 0.774621 11.00000 0.03015 0.03326 = 0.03336 0.00417 0.01347 -0.00027 CL1 3 0.534339 0.471045 0.680303 11.00000 0.03328 0.04718 = 0.04577 0.00391 0.02130 0.00639 CL2 3 0.412546 0.580766 0.832472 11.00000 0.05592 0.04677 = 0.02809 -0.00377 0.01608 0.00906 CL3 3 0.319934 0.288553 0.688506 11.00000 0.04760 0.02933 = 0.04240 0.00116 0.02727 -0.00163 CL4 3 0.095595 0.421803 0.730782 11.00000 0.04673 0.04898 = 0.06096 0.00804 0.02285 0.01574 CL5 3 0.136728 0.064989 0.726197 11.00000 0.05536 0.04046 = 0.06234 0.00402 0.01919 -0.01552 CL6 3 0.325718 0.253573 0.925934 11.00000 0.03891 0.08640 = 0.03227 0.00598 0.01448 0.00412 O1 5 0.127895 0.737713 0.676842 11.00000 0.07207 0.04589 = 0.06074 0.00033 0.05031 0.00505 O2 5 0.103362 0.409837 0.483525 11.00000 0.05000 0.04490 = 0.06259 -0.00921 0.01029 -0.01517 C1 1 0.172259 0.707073 0.631301 11.00000 0.04081 0.02950 = 0.03487 0.00358 0.01979 0.00015 C2 1 0.157131 0.504704 0.510024 11.00000 0.03343 0.03869 = 0.03338 -0.00104 0.00992 -0.00193 C3 1 0.136964 1.002609 0.483055 11.00000 0.05449 0.04642 = 0.05666 0.01027 0.03035 0.01160 AFIX 137 H3A 2 0.151190 1.085031 0.454310 11.00000 -1.50000 H3B 2 0.148544 1.022284 0.548647 11.00000 -1.50000 H3C 2 0.060080 0.972800 0.445748 11.00000 -1.50000 AFIX 0 C4 1 0.216070 0.890653 0.483769 11.00000 0.03649 0.03390 = 0.03023 0.00507 0.01754 -0.00267 C5 1 0.186672 0.795757 0.409244 11.00000 0.04218 0.04737 = 0.02328 0.00598 0.01011 -0.00550 AFIX 13 H5 2 0.107892 0.790389 0.359964 11.00000 -1.20000 AFIX 0 C6 1 0.265585 0.693524 0.411572 11.00000 0.07545 0.04754 = 0.03212 -0.00272 0.03416 -0.00447 AFIX 13 H6 2 0.241232 0.618942 0.362932 11.00000 -1.20000 AFIX 0 C7 1 0.372331 0.688091 0.488175 11.00000 0.05189 0.04970 = 0.05318 0.01468 0.03917 0.01218 AFIX 13 H7 2 0.423488 0.610611 0.493398 11.00000 -1.20000 AFIX 0 C8 1 0.400899 0.783426 0.563214 11.00000 0.03080 0.05204 = 0.04725 0.01007 0.01723 -0.00526 AFIX 13 H8 2 0.471964 0.772111 0.622005 11.00000 -1.20000 AFIX 0 C9 1 0.324046 0.881081 0.561502 11.00000 0.03711 0.03778 = 0.03430 0.00004 0.01327 -0.01108 AFIX 13 H9 2 0.340902 0.937264 0.619916 11.00000 -1.20000 AFIX 0 HKLF 4 REM GNHDS1262024_0m_a.res in P2(1)/c REM wR2 = 0.041088, GooF = S = 1.08952, Restrained GooF = 1.08952 for all data REM R1 = 0.016333 for 4133 Fo > 4sig(Fo) and 0.018236 for all 4424 data REM 182 parameters refined using 0 restraints END WGHT 0.0179 1.0564 REM Highest difference peak 0.650, deepest hole -0.430, 1-sigma level 0.087 Q1 1 0.3436 0.6889 0.5899 11.00000 0.05 0.65 Q2 1 0.4940 0.7670 0.7441 11.00000 0.05 0.53 Q3 1 0.0748 0.3789 0.7611 11.00000 0.05 0.44 Q4 1 0.4985 0.4031 0.6706 11.00000 0.05 0.40 Q5 1 0.0886 0.3726 0.6896 11.00000 0.05 0.40 Q6 1 0.1911 0.6979 0.3857 11.00000 0.05 0.40 Q7 1 0.3520 0.8262 0.5531 11.00000 0.05 0.35 Q8 1 0.3793 0.7274 0.5344 11.00000 0.05 0.35 Q9 1 0.5087 0.6247 0.8616 11.00000 0.05 0.32 Q10 1 0.2722 0.8767 0.5165 11.00000 0.05 0.31 Q11 1 0.3145 0.6349 0.4513 11.00000 0.05 0.30 Q12 1 0.4795 0.5013 0.7117 11.00000 0.05 0.30 Q13 1 0.0992 0.1088 0.6887 11.00000 0.05 0.26 Q14 1 0.4514 0.5018 0.6617 11.00000 0.05 0.26 Q15 1 0.3588 0.6147 0.8147 11.00000 0.05 0.25 Q16 1 0.0816 0.7460 0.6245 11.00000 0.05 0.24 Q17 1 0.4734 0.8410 0.6318 11.00000 0.05 0.23 Q18 1 0.1385 0.3292 0.7536 11.00000 0.05 0.23 Q19 1 0.5034 0.5192 0.6420 11.00000 0.05 0.23 Q20 1 0.1845 0.0516 0.7145 11.00000 0.05 0.22 ; _shelx_res_checksum 400 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Ru Ru1 0.24301(2) 0.66776(2) 0.55005(2) 0.02484(4) Uani d 1 . . Ga Ga1 0.37587(2) 0.52947(2) 0.68455(2) 0.02795(5) Uani d 1 . . Ga Ga2 0.21861(2) 0.26035(2) 0.77462(2) 0.03228(5) Uani d 1 . . Cl Cl1 0.53434(4) 0.47105(6) 0.68030(4) 0.04053(11) Uani d 1 . . Cl Cl2 0.41255(5) 0.58077(6) 0.83247(3) 0.04424(12) Uani d 1 . . Cl Cl3 0.31993(4) 0.28855(5) 0.68851(4) 0.03697(10) Uani d 1 . . Cl Cl4 0.09559(5) 0.42180(6) 0.73078(5) 0.05227(13) Uani d 1 . . Cl Cl5 0.13673(5) 0.06499(6) 0.72620(5) 0.05478(14) Uani d 1 . . Cl Cl6 0.32572(4) 0.25357(7) 0.92593(4) 0.05277(15) Uani d 1 . . O O1 0.12790(15) 0.73771(17) 0.67684(13) 0.0519(4) Uani d 1 . . O O2 0.10336(14) 0.40984(18) 0.48352(13) 0.0573(4) Uani d 1 . . C C1 0.17226(16) 0.7071(2) 0.63130(14) 0.0338(4) Uani d 1 . . C C2 0.15713(16) 0.5047(2) 0.51002(14) 0.0367(4) Uani d 1 . . C C3 0.1370(2) 1.0026(3) 0.48306(18) 0.0502(5) Uani d 1 . . H H3A 0.151190 1.085031 0.454310 0.075000 Uiso calc 1 . . H H3B 0.148544 1.022284 0.548647 0.075000 Uiso calc 1 . . H H3C 0.060080 0.972800 0.445748 0.075000 Uiso calc 1 . . C C4 0.21607(15) 0.8907(2) 0.48377(13) 0.0324(4) Uani d 1 . . C C5 0.18667(17) 0.7958(2) 0.40924(13) 0.0389(4) Uani d 1 . . H H5 0.107892 0.790389 0.359964 0.047000 Uiso calc 1 . . C C6 0.2656(2) 0.6935(3) 0.41157(15) 0.0478(5) Uani d 1 . . H H6 0.241232 0.618942 0.362932 0.057000 Uiso calc 1 . . C C7 0.37233(19) 0.6881(2) 0.48817(17) 0.0458(5) Uani d 1 . . H H7 0.423488 0.610611 0.493398 0.055000 Uiso calc 1 . . C C8 0.40090(17) 0.7834(2) 0.56321(16) 0.0432(5) Uani d 1 . . H H8 0.471964 0.772111 0.622005 0.052000 Uiso calc 1 . . C C9 0.32405(16) 0.8811(2) 0.56150(14) 0.0371(4) Uani d 1 . . H H9 0.340902 0.937264 0.619916 0.044000 Uiso calc 1 . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ru1 0.02522(6) 0.02903(7) 0.02071(6) -0.00104(5) 0.01024(5) 0.00055(5) Ga1 0.02861(9) 0.03056(10) 0.02508(9) 0.00314(7) 0.01183(7) 0.00206(7) Ga2 0.03015(10) 0.03326(11) 0.03336(10) -0.00027(8) 0.01347(8) 0.00417(8) Cl1 0.0333(2) 0.0472(3) 0.0458(3) 0.00639(19) 0.0213(2) 0.0039(2) Cl2 0.0559(3) 0.0468(3) 0.0281(2) 0.0091(2) 0.0161(2) -0.00377(19) Cl3 0.0476(2) 0.0293(2) 0.0424(2) -0.00163(19) 0.0273(2) 0.00116(18) Cl4 0.0467(3) 0.0490(3) 0.0610(3) 0.0157(2) 0.0228(3) 0.0080(3) Cl5 0.0554(3) 0.0405(3) 0.0623(3) -0.0155(2) 0.0192(3) 0.0040(3) Cl6 0.0389(2) 0.0864(4) 0.0323(2) 0.0041(3) 0.0145(2) 0.0060(3) O1 0.0721(11) 0.0459(9) 0.0607(10) 0.0051(8) 0.0503(9) 0.0003(8) O2 0.0500(9) 0.0449(9) 0.0626(10) -0.0152(8) 0.0103(8) -0.0092(8) C1 0.0408(9) 0.0295(9) 0.0349(9) 0.0002(7) 0.0198(8) 0.0036(7) C2 0.0334(9) 0.0387(10) 0.0334(9) -0.0019(8) 0.0099(7) -0.0010(8) C3 0.0545(13) 0.0464(12) 0.0567(14) 0.0116(10) 0.0304(11) 0.0103(10) C4 0.0365(9) 0.0339(9) 0.0302(8) -0.0027(7) 0.0175(7) 0.0051(7) C5 0.0422(10) 0.0474(11) 0.0233(8) -0.0055(9) 0.0101(7) 0.0060(8) C6 0.0754(15) 0.0475(12) 0.0321(10) -0.0045(11) 0.0342(11) -0.0027(9) C7 0.0519(12) 0.0497(12) 0.0532(12) 0.0122(10) 0.0392(11) 0.0147(10) C8 0.0308(9) 0.0520(12) 0.0473(11) -0.0053(9) 0.0172(8) 0.0101(10) C9 0.0371(9) 0.0378(10) 0.0343(9) -0.0111(8) 0.0133(8) 0.0000(8) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 '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' Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C1 Ru1 C2 . . 89.37(9) ? C1 Ru1 C6 . . 152.94(9) ? C2 Ru1 C6 . . 94.99(9) ? C1 Ru1 C7 . . 157.35(9) ? C2 Ru1 C7 . . 112.70(9) ? C6 Ru1 C7 . . 35.62(9) ? C1 Ru1 C8 . . 121.78(9) ? C2 Ru1 C8 . . 146.39(9) ? C6 Ru1 C8 . . 63.59(9) ? C7 Ru1 C8 . . 35.56(9) ? C1 Ru1 C9 . . 96.35(8) ? C2 Ru1 C9 . . 166.51(8) ? C6 Ru1 C9 . . 74.46(8) ? C7 Ru1 C9 . . 63.31(8) ? C8 Ru1 C9 . . 34.91(8) ? C1 Ru1 C5 . . 117.03(8) ? C2 Ru1 C5 . . 103.73(8) ? C6 Ru1 C5 . . 36.09(8) ? C7 Ru1 C5 . . 64.28(8) ? C8 Ru1 C5 . . 74.78(7) ? C9 Ru1 C5 . . 62.79(7) ? C1 Ru1 C4 . . 94.20(7) ? C2 Ru1 C4 . . 132.21(8) ? C6 Ru1 C4 . . 63.40(8) ? C7 Ru1 C4 . . 75.08(7) ? C8 Ru1 C4 . . 63.34(7) ? C9 Ru1 C4 . . 35.37(7) ? C5 Ru1 C4 . . 34.55(7) ? C1 Ru1 Ga1 . . 86.05(6) ? C2 Ru1 Ga1 . . 85.82(6) ? C6 Ru1 Ga1 . . 120.86(7) ? C7 Ru1 Ga1 . . 90.38(6) ? C8 Ru1 Ga1 . . 84.29(6) ? C9 Ru1 Ga1 . . 106.70(5) ? C5 Ru1 Ga1 . . 154.66(5) ? C4 Ru1 Ga1 . . 141.95(5) ? Cl2 Ga1 Cl1 . . 107.54(2) ? Cl2 Ga1 Ru1 . . 120.934(17) ? Cl1 Ga1 Ru1 . . 117.546(16) ? Cl2 Ga1 Cl3 . . 97.36(2) ? Cl1 Ga1 Cl3 . . 93.035(19) ? Ru1 Ga1 Cl3 . . 115.292(15) ? Cl6 Ga2 Cl4 . . 114.95(3) yes Cl6 Ga2 Cl5 . . 110.36(3) yes Cl4 Ga2 Cl5 . . 109.67(3) yes Cl6 Ga2 Cl3 . . 110.96(2) yes Cl4 Ga2 Cl3 . . 106.43(2) yes Cl5 Ga2 Cl3 . . 103.82(2) yes Ga2 Cl3 Ga1 . . 112.77(2) ? O1 C1 Ru1 . . 175.86(18) ? O2 C2 Ru1 . . 177.7(2) ? C5 C4 C9 . . 118.47(18) ? C5 C4 C3 . . 121.72(19) ? C9 C4 C3 . . 119.81(19) ? C5 C4 Ru1 . . 71.49(11) ? C9 C4 Ru1 . . 70.35(11) ? C3 C4 Ru1 . . 130.19(13) ? C4 C5 C6 . . 119.83(19) ? C4 C5 Ru1 . . 73.96(11) ? C6 C5 Ru1 . . 70.35(11) ? C7 C6 C5 . . 120.5(2) ? C7 C6 Ru1 . . 72.31(11) ? C5 C6 Ru1 . . 73.56(11) ? C6 C7 C8 . . 119.2(2) ? C6 C7 Ru1 . . 72.07(12) ? C8 C7 Ru1 . . 72.63(11) ? C9 C8 C7 . . 120.2(2) ? C9 C8 Ru1 . . 72.89(11) ? C7 C8 Ru1 . . 71.81(12) ? C8 C9 C4 . . 121.73(19) ? C8 C9 Ru1 . . 72.20(12) ? C4 C9 Ru1 . . 74.28(11) ? loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Ru1 C1 . 1.8856(19) ? Ru1 C2 . 1.890(2) ? Ru1 C6 . 2.2803(19) ? Ru1 C7 . 2.2834(19) ? Ru1 C8 . 2.294(2) ? Ru1 C9 . 2.3027(19) ? Ru1 C5 . 2.3223(19) ? Ru1 C4 . 2.3536(19) ? Ru1 Ga1 . 2.4575(2) yes Ga1 Cl2 . 2.1665(5) yes Ga1 Cl1 . 2.1888(5) yes Ga1 Cl3 . 2.4619(5) yes Ga2 Cl6 . 2.1413(6) yes Ga2 Cl4 . 2.1456(6) yes Ga2 Cl5 . 2.1521(6) yes Ga2 Cl3 . 2.2583(5) yes O1 C1 . 1.125(2) ? O2 C2 . 1.127(3) ? C3 C4 . 1.502(3) ? C4 C5 . 1.389(3) ? C4 C9 . 1.415(3) ? C5 C6 . 1.426(3) ? C6 C7 . 1.396(3) ? C7 C8 . 1.398(3) ? C8 C9 . 1.379(3) ?