#------------------------------------------------------------------------------ #$Date: 2022-07-03 17:12:12 +0100 (Sun, 03 Jul 2022) $ #$Revision: 276506 $ #$URL: svn://www.crystallography.net/cod/cif/3/00/03/3000397.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_3000397 loop_ _publ_author_name 'Vinci, Doriana' 'Chateigner, Daniel' _journal_name_full 'Personal communication to COD' _journal_year 2022 _chemical_formula_moiety 'C5 H12 Cl3 N2 Pt1' _chemical_formula_sum 'C5 H12 Cl3 N2 Pt' _chemical_formula_weight 401.61 _space_group_IT_number 15 _space_group_name_Hall '-C 2yc' _space_group_name_H-M_alt 'C 1 2/c 1' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 1 2/c 1' _atom_sites_solution_hydrogens difmap _atom_sites_solution_primary direct _cell_angle_alpha 90 _cell_angle_beta 105.654(2) _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 37.154(2) _cell_length_b 5.9294(3) _cell_length_c 21.8080(12) _cell_measurement_reflns_used 2780 _cell_measurement_temperature 293 _cell_measurement_theta_max 40 _cell_measurement_theta_min 5 _cell_volume 4626.1(4) _computing_cell_refinement 'DENZO/SCALEPACK (Otwinowski & Minor, 1997)' _computing_data_collection 'COLLECT (Nonius, 2001).' _computing_data_reduction 'Apex2 (Bruker AXS, 2006)' _computing_molecular_graphics 'CAMERON (Watkin et al., 1996)' _computing_publication_material 'CRYSTALS (Betteridge et al., 2003)' _computing_structure_refinement 'CRYSTALS (Betteridge et al., 2003)' _computing_structure_solution 'SIR92 (Altomare et al., 1994)' _diffrn_ambient_temperature 293 _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.999 _diffrn_measurement_device Area _diffrn_measurement_device_type 'Nonius KappaCCD' _diffrn_measurement_method '\f & \w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.084 _diffrn_reflns_limit_h_max 40 _diffrn_reflns_limit_h_min -40 _diffrn_reflns_limit_k_max 6 _diffrn_reflns_limit_k_min -5 _diffrn_reflns_limit_l_max 22 _diffrn_reflns_limit_l_min -24 _diffrn_reflns_number 22391 _diffrn_reflns_theta_full 23.266 _diffrn_reflns_theta_max 23.266 _diffrn_reflns_theta_min 1.940 _diffrn_standards_interval_count . _diffrn_standards_interval_time . _diffrn_standards_number 0 _exptl_absorpt_coefficient_mu 12.775 _exptl_absorpt_correction_T_max 0.63 _exptl_absorpt_correction_T_min 0.47 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details 'DENZO/SCALEPACK (Otwinowski & Minor, 1997)' _exptl_crystal_colour yellow _exptl_crystal_density_diffrn 2.306 _exptl_crystal_density_method 'not measured' _exptl_crystal_description lamellar _exptl_crystal_F_000 2960 _exptl_crystal_size_max 0.210 _exptl_crystal_size_mid 0.080 _exptl_crystal_size_min 0.036 _refine_diff_density_max 1.56 _refine_diff_density_min -2.07 _refine_ls_extinction_method None _refine_ls_goodness_of_fit_ref 1.0570 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 227 _refine_ls_number_reflns 1840 _refine_ls_number_restraints 54 _refine_ls_R_factor_all 0.0907 _refine_ls_R_factor_gt 0.0422 _refine_ls_shift/su_max 0.0022650 _refine_ls_shift/su_mean 0.0001637 _refine_ls_structure_factor_coef F _refine_ls_weighting_scheme calc _refine_ls_wR_factor_all 0.0784 _refine_ls_wR_factor_gt 0.0445 _refine_ls_wR_factor_ref 0.0416 _reflns_limit_h_max 39 _reflns_limit_h_min -40 _reflns_limit_k_max 6 _reflns_limit_k_min 0 _reflns_limit_l_max 24 _reflns_limit_l_min 0 _reflns_number_gt 2060 _reflns_number_total 3328 _reflns_threshold_expression I>2.0\s(I) _cod_data_source_file pivalonitrili.cif _cod_data_source_block platinum_pivnit _cod_depositor_comments ;Releasing structure 3000397 into public domain as personal communication to COD. ; _cod_original_cell_volume 4626.2(4) _cod_original_sg_symbol_H-M 'C 1 2/c 1 ' _cod_original_formula_sum 'C5 H12 Cl3 N2 Pt1' _cod_database_code 3000397 _cod_database_fobs_code 3000397 _iucr_refine_instructions_details_constraints ; #LIST 12 BLOCK SCALE X'S, U'S EQUIV PART(1001, OCC) PART(1002, OCC) WEIGHT -1 PART(1002, OCC) RIDE N ( 3,X'S) H ( 36,X'S) H ( 34,X'S) H ( 35,X'S) RIDE N ( 1,X'S) H ( 13,X'S) H ( 12,X'S) H ( 11,X'S) RIDE C ( 3,X'S) H ( 33,X'S) H ( 31,X'S) H ( 32,X'S) RIDE C ( 4,X'S) H ( 41,X'S) H ( 42,X'S) H ( 43,X'S) RIDE C ( 5,X'S) H ( 51,X'S) H ( 53,X'S) H ( 52,X'S) RIDE C ( 81,X'S) H ( 812,X'S) H ( 811,X'S) H ( 813,X'S) RIDE C ( 91,X'S) H ( 911,X'S) H ( 913,X'S) H ( 912,X'S) RIDE C ( 80,X'S) H ( 802,X'S) H ( 801,X'S) H ( 803,X'S) RIDE C ( 90,X'S) H ( 901,X'S) H ( 903,X'S) H ( 902,X'S) RIDE C ( 100,X'S) H (1002,X'S) H (1001,X'S) H (1003,X'S) RIDE C ( 101,X'S) H (1011,X'S) H (1013,X'S) H (1012,X'S) END ; _iucr_refine_instructions_details_restraints ; #LIST 16 SAME C(7) C(80) C(90) C(101) AND CONT C(7) C(81) C(91) C(100) SIMU C(7) C(80) C(90) C(101) AND CONT C(7) C(81) C(91) C(100) DELU C(7) C(80) C(90) C(101) AND CONT C(7) C(81) C(91) C(100) REM HREST START (DO NOT REMOVE THIS LINE) REM HREST END (DO NOT REMOVE THIS LINE) END ; loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,-z x+1/2,y+1/2,z -x+1/2,-y+1/2,-z -x,y,-z+1/2 x,-y,z+1/2 -x+1/2,y+1/2,-z+1/2 x+1/2,-y+1/2,z+1/2 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_occupancy _atom_site_adp_type _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_attached_hydrogens N3 N 0.3644(4) 0.547(3) -0.1881(7) 0.0617 1.0000 Uani . . . . . . H31 H 0.3167 1.2162 -0.0242 0.1128 1.0000 Uiso R . . . . . H32 H 0.2887 1.2578 0.0162 0.1128 1.0000 Uiso R . . . . . H33 H 0.2844 1.0470 -0.0273 0.1128 1.0000 Uiso R . . . . . H36 H 0.3533 0.5207 -0.2337 0.0851 1.0000 Uiso R . . . . . H34 H 0.3469 0.4917 -0.1668 0.0851 1.0000 Uiso R . . . . . H35 H 0.3717 0.6943 -0.1776 0.0821 1.0000 Uiso R . . . . . N1 N 0.2173(4) 0.491(2) 0.1967(6) 0.0495 1.0000 Uani . . . . . . N2 N 0.2851(4) 0.814(3) 0.1175(7) 0.0459 1.0000 Uani . . . . . . N4 N 0.4530(5) 0.127(3) -0.1421(9) 0.0698 1.0000 Uani . . . . . . C1 C 0.3035(6) 0.906(3) 0.0908(9) 0.0530 1.0000 Uani . . . . . . C2 C 0.3275(6) 1.008(4) 0.0551(9) 0.0561 1.0000 Uani . . . . . . C3 C 0.3016(7) 1.151(4) 0.0008(10) 0.0931 1.0000 Uani . . . . . . C4 C 0.3573(6) 1.151(4) 0.0958(11) 0.0822 1.0000 Uani . . . . . . C5 C 0.3465(8) 0.819(4) 0.0284(11) 0.1054 1.0000 Uani . . . . . . C6 C 0.4817(7) 0.056(4) -0.1312(13) 0.0863 1.0000 Uani . . . . . . Pt2 Pt 0.40727(2) 0.32619(13) -0.16505(3) 0.0448 1.0000 Uani . . . . . . Cl1 Cl 0.20930(15) 0.9456(8) 0.1331(2) 0.0565 1.0000 Uani . . . . . . Cl2 Cl 0.29378(14) 0.3684(8) 0.1856(2) 0.0536 1.0000 Uani . . . . . . Cl3 Cl 0.37836(19) 0.1322(11) -0.0997(3) 0.0923 1.0000 Uani . . . . . . Cl4 Cl 0.4336(2) 0.5225(12) -0.2323(4) 0.1074 1.0000 Uani . . . . . . Cl5 Cl 0.4351(2) 0.5603(11) -0.0818(4) 0.1181 1.0000 Uani . . . . . . Cl6 Cl 0.3760(2) 0.0965(10) -0.2474(3) 0.0971 1.0000 Uani . . . . . . Pt1 Pt 0.25204(2) 0.65811(12) 0.15893(3) 0.0360 1.0000 Uani . . . . . . C7 C 0.5205(4) -0.019(4) -0.1106(10) 0.0924 1.0000 Uani D . . . . . C81 C 0.5324(14) -0.058(11) -0.1716(16) 0.1175 0.45(3) Uani D . P 1 2 . C91 C 0.5466(11) 0.142(7) -0.069(2) 0.1066 0.45(3) Uani D . P 1 2 . C80 C 0.5422(11) 0.181(6) -0.127(3) 0.1216 0.55(3) Uani D . P 1 1 . C90 C 0.5354(12) -0.076(9) -0.0422(12) 0.1218 0.55(3) Uani D . P 1 1 . C100 C 0.5197(14) -0.256(6) -0.084(3) 0.1239 0.45(3) Uani D . P 1 2 . C101 C 0.5248(12) -0.201(6) -0.1575(18) 0.0992 0.55(3) Uani D . P 1 1 . H51 H 0.3622 0.8805 0.0047 0.1183 1.0000 Uiso R . . . . . H53 H 0.3610 0.7293 0.0622 0.1183 1.0000 Uiso R . . . . . H52 H 0.3278 0.7279 0.0012 0.1183 1.0000 Uiso R . . . . . H812 H 0.5576 -0.1091 -0.1594 0.1428 0.45(3) Uiso R . P 1 2 . H811 H 0.5300 0.0623 -0.2011 0.1428 0.45(3) Uiso R . P 1 2 . H813 H 0.5165 -0.1789 -0.1909 0.1428 0.45(3) Uiso R . P 1 2 . H911 H 0.5714 0.0839 -0.0574 0.1422 0.45(3) Uiso R . P 1 2 . H913 H 0.5452 0.2675 -0.0965 0.1422 0.45(3) Uiso R . P 1 2 . H912 H 0.5401 0.1887 -0.0315 0.1422 0.45(3) Uiso R . P 1 2 . H802 H 0.5682 0.1485 -0.1175 0.1430 0.55(3) Uiso R . P 1 1 . H801 H 0.5325 0.1963 -0.1722 0.1430 0.55(3) Uiso R . P 1 1 . H803 H 0.5384 0.3169 -0.1071 0.1430 0.55(3) Uiso R . P 1 1 . H901 H 0.5604 -0.1259 -0.0355 0.1516 0.55(3) Uiso R . P 1 1 . H903 H 0.5352 0.0613 -0.0198 0.1516 0.55(3) Uiso R . P 1 1 . H902 H 0.5215 -0.1870 -0.0270 0.1516 0.55(3) Uiso R . P 1 1 . H1002 H 0.5443 -0.3166 -0.0700 0.1576 0.45(3) Uiso R . P 1 2 . H1001 H 0.5038 -0.3620 -0.1108 0.1576 0.45(3) Uiso R . P 1 2 . H1003 H 0.5106 -0.2247 -0.0482 0.1576 0.45(3) Uiso R . P 1 2 . H1011 H 0.5497 -0.2569 -0.1467 0.1302 0.55(3) Uiso R . P 1 1 . H1013 H 0.5182 -0.1484 -0.2002 0.1302 0.55(3) Uiso R . P 1 1 . H1012 H 0.5082 -0.3185 -0.1533 0.1302 0.55(3) Uiso R . P 1 1 . H13 H 0.1947 0.4600 0.1875 0.0500 1.0000 Uiso R . . . . . H12 H 0.2259 0.4010 0.2182 0.0500 1.0000 Uiso R . . . . . H11 H 0.2105 0.5400 0.2293 0.0500 1.0000 Uiso R . . . . . H41 H 0.3722 1.2149 0.0709 0.1011 1.0000 Uiso R . . . . . H42 H 0.3726 1.0597 0.1283 0.1011 1.0000 Uiso R . . . . . H43 H 0.3466 1.2690 0.1146 0.1011 1.0000 Uiso R . . . . . 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 N3 0.065(13) 0.058(11) 0.068(11) 0.021(9) 0.027(10) 0.017(10) N1 0.051(11) 0.045(9) 0.058(10) 0.009(9) 0.024(8) 0.007(9) N2 0.052(11) 0.046(10) 0.044(10) -0.006(9) 0.021(8) 0.001(9) N4 0.050(12) 0.084(14) 0.077(13) 0.008(11) 0.019(11) 0.009(12) C1 0.054(15) 0.056(14) 0.043(13) 0.016(10) 0.002(11) 0.012(11) C2 0.057(14) 0.077(14) 0.051(13) 0.004(13) 0.043(12) -0.010(13) C3 0.09(2) 0.12(2) 0.076(17) 0.028(17) 0.031(15) -0.033(18) C4 0.066(16) 0.098(18) 0.092(18) -0.002(16) 0.038(14) -0.036(16) C5 0.15(3) 0.10(2) 0.09(2) 0.022(18) 0.078(19) -0.01(2) C6 0.052(17) 0.083(19) 0.12(2) 0.001(16) 0.008(16) 0.008(15) Pt2 0.0376(5) 0.0421(5) 0.0559(6) 0.0067(4) 0.0148(4) 0.0046(4) Cl1 0.058(4) 0.050(3) 0.067(3) 0.016(3) 0.026(3) 0.005(3) Cl2 0.051(3) 0.048(3) 0.064(3) -0.003(3) 0.019(3) 0.005(3) Cl3 0.085(5) 0.101(5) 0.107(5) 0.059(4) 0.053(4) 0.023(4) Cl4 0.101(5) 0.089(5) 0.164(7) 0.055(5) 0.090(5) 0.023(4) Cl5 0.123(7) 0.077(5) 0.119(6) -0.024(4) -0.028(5) -0.004(4) Cl6 0.115(6) 0.070(4) 0.083(4) -0.020(3) -0.015(4) 0.005(4) Pt1 0.0388(5) 0.0366(4) 0.0351(4) -0.0026(4) 0.0143(4) -0.0054(4) C7 0.047(13) 0.118(18) 0.109(17) 0.028(14) 0.017(12) 0.037(13) C81 0.07(3) 0.17(4) 0.11(3) 0.00(3) 0.01(2) 0.04(3) C91 0.08(3) 0.13(3) 0.11(3) -0.01(3) 0.02(3) 0.04(2) C80 0.07(3) 0.14(3) 0.17(3) 0.05(3) 0.05(3) 0.04(2) C90 0.08(3) 0.16(4) 0.11(2) 0.03(3) 0.00(3) 0.04(3) C100 0.06(3) 0.12(3) 0.15(4) 0.04(3) -0.04(3) 0.01(3) C101 0.08(3) 0.10(3) 0.10(3) 0.03(2) 0.01(2) 0.02(3) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Pt -1.7033 8.3905 27.0059 1.5129 17.7639 8.8117 15.7131 0.4246 5.7837 38.6103 11.6883 'International Tables Vol C 4.2.6.8 and 6.1.1.4' Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784 -9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4' N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826 -11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4' C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512 0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4' H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998 0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4' loop_ _geom_angle_atom_site_label_1 _geom_angle_site_symmetry_1 _geom_angle_atom_site_label_2 _geom_angle_site_symmetry_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag H36 . N3 . H34 . 106.5 no H36 . N3 . H35 . 114.7 no H34 . N3 . H35 . 113.5 no H36 . N3 . Pt2 . 103.6 no H34 . N3 . Pt2 . 104.5 no H35 . N3 . Pt2 . 113.0 no Pt1 . N1 . H13 . 138.0 no Pt1 . N1 . H12 . 114.5 no H13 . N1 . H12 . 103.6 no Pt1 . N1 . H11 . 122.7 no H13 . N1 . H11 . 77.1 no H12 . N1 . H11 . 83.7 no C1 . N2 . Pt1 . 177.3(16) yes C6 . N4 . Pt2 . 166(2) yes N2 . C1 . C2 . 176(2) yes C1 . C2 . C3 . 106.9(17) yes C1 . C2 . C4 . 112.5(17) yes C3 . C2 . C4 . 110.6(19) yes C1 . C2 . C5 . 108.0(18) yes C3 . C2 . C5 . 111.3(18) yes C4 . C2 . C5 . 107.5(20) yes C2 . C3 . H33 . 107.6 no C2 . C3 . H31 . 108.4 no H33 . C3 . H31 . 106.4 no C2 . C3 . H32 . 112.0 no H33 . C3 . H32 . 110.6 no H31 . C3 . H32 . 111.7 no C2 . C4 . H41 . 109.9 no C2 . C4 . H42 . 108.4 no H41 . C4 . H42 . 109.5 no C2 . C4 . H43 . 110.0 no H41 . C4 . H43 . 109.5 no H42 . C4 . H43 . 109.5 no C2 . C5 . H51 . 109.9 no C2 . C5 . H53 . 109.9 no H51 . C5 . H53 . 109.5 no C2 . C5 . H52 . 108.6 no H51 . C5 . H52 . 109.5 no H53 . C5 . H52 . 109.5 no N4 . C6 . C7 . 173(3) yes N3 . Pt2 . N4 . 175.3(7) yes N3 . Pt2 . Cl3 . 90.6(5) yes N4 . Pt2 . Cl3 . 93.2(5) yes N3 . Pt2 . Cl4 . 87.4(5) yes N4 . Pt2 . Cl4 . 88.9(5) yes Cl3 . Pt2 . Cl4 . 177.7(2) yes N3 . Pt2 . Cl5 . 87.8(5) yes N4 . Pt2 . Cl5 . 89.4(6) yes Cl3 . Pt2 . Cl5 . 89.9(3) yes Cl4 . Pt2 . Cl5 . 91.1(3) yes N3 . Pt2 . Cl6 . 89.5(5) yes N4 . Pt2 . Cl6 . 93.5(6) yes Cl3 . Pt2 . Cl6 . 88.0(3) yes Cl4 . Pt2 . Cl6 . 90.8(3) yes Cl5 . Pt2 . Cl6 . 176.6(3) yes Cl1 . Pt1 . N1 . 89.3(4) yes Cl1 . Pt1 . Cl2 . 178.82(17) yes N1 . Pt1 . Cl2 . 89.5(4) yes Cl1 . Pt1 . N2 . 90.9(5) yes N1 . Pt1 . N2 . 176.9(6) yes Cl2 . Pt1 . N2 . 90.3(5) yes C6 . C7 . C80 . 103(2) yes C6 . C7 . C90 . 117(2) yes C80 . C7 . C90 . 109.80(10) yes C6 . C7 . C101 . 106(2) yes C80 . C7 . C101 . 103.27(10) yes C90 . C7 . C101 . 115.79(10) yes C6 . C7 . C81 . 106(3) yes C6 . C7 . C91 . 115(2) yes C81 . C7 . C91 . 109.79(10) yes C6 . C7 . C100 . 106(2) yes C81 . C7 . C100 . 103.27(10) yes C91 . C7 . C100 . 115.79(10) yes C7 . C81 . H812 . 107.3 no C7 . C81 . H811 . 118.5 no H812 . C81 . H811 . 109.5 no C7 . C81 . H813 . 102.1 no H812 . C81 . H813 . 109.5 no H811 . C81 . H813 . 109.5 no C7 . C91 . H911 . 110.7 no C7 . C91 . H913 . 101.4 no H911 . C91 . H913 . 109.5 no C7 . C91 . H912 . 115.9 no H911 . C91 . H912 . 109.5 no H913 . C91 . H912 . 109.5 no C7 . C80 . H802 . 111.1 no C7 . C80 . H801 . 104.1 no H802 . C80 . H801 . 109.5 no C7 . C80 . H803 . 113.1 no H802 . C80 . H803 . 109.5 no H801 . C80 . H803 . 109.5 no C7 . C90 . H901 . 108.0 no C7 . C90 . H903 . 105.6 no H901 . C90 . H903 . 109.5 no C7 . C90 . H902 . 114.6 no H901 . C90 . H902 . 109.5 no H903 . C90 . H902 . 109.5 no C7 . C100 . H1002 . 110.9 no C7 . C100 . H1001 . 116.7 no H1002 . C100 . H1001 . 109.5 no C7 . C100 . H1003 . 100.4 no H1002 . C100 . H1003 . 109.5 no H1001 . C100 . H1003 . 109.5 no C7 . C101 . H1011 . 110.6 no C7 . C101 . H1013 . 112.3 no H1011 . C101 . H1013 . 109.5 no C7 . C101 . H1012 . 105.5 no H1011 . C101 . H1012 . 109.5 no H1013 . C101 . H1012 . 109.5 no loop_ _geom_bond_atom_site_label_1 _geom_bond_site_symmetry_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag N3 . H36 . 0.981 no N3 . H34 . 0.956 no N3 . H35 . 0.923 no N3 . Pt2 . 2.020(14) yes H31 . C3 . 0.963 no H32 . C3 . 0.912 no H33 . C3 . 0.975 no N1 . Pt1 . 1.977(13) yes N1 . H13 . 0.827 no N1 . H12 . 0.725 no N1 . H11 . 0.866 no N2 . C1 . 1.15(2) yes N2 . Pt1 . 1.943(16) yes N4 . C6 . 1.11(3) yes N4 . Pt2 . 2.018(19) yes C1 . C2 . 1.46(3) yes C2 . C3 . 1.56(3) yes C2 . C4 . 1.49(3) yes C2 . C5 . 1.52(3) yes C4 . H41 . 0.950 no C4 . H42 . 0.950 no C4 . H43 . 0.950 no C5 . H51 . 0.950 no C5 . H53 . 0.950 no C5 . H52 . 0.950 no C6 . C7 . 1.46(3) yes Pt2 . Cl3 . 2.309(5) yes Pt2 . Cl4 . 2.289(6) yes Pt2 . Cl5 . 2.298(6) yes Pt2 . Cl6 . 2.304(6) yes Cl1 . Pt1 . 2.294(5) yes Cl2 . Pt1 . 2.282(5) yes C7 . C80 . 1.531(10) yes C7 . C90 . 1.484(10) yes C7 . C101 . 1.525(10) yes C7 . C81 . 1.528(10) yes C7 . C91 . 1.486(10) yes C7 . C100 . 1.524(10) yes C81 . H812 . 0.950 no C81 . H811 . 0.950 no C81 . H813 . 0.950 no C91 . H911 . 0.950 no C91 . H913 . 0.950 no C91 . H912 . 0.950 no C80 . H802 . 0.950 no C80 . H801 . 0.950 no C80 . H803 . 0.950 no C90 . H901 . 0.950 no C90 . H903 . 0.950 no C90 . H902 . 0.950 no C100 . H1002 . 0.950 no C100 . H1001 . 0.950 no C100 . H1003 . 0.950 no C101 . H1011 . 0.950 no C101 . H1013 . 0.950 no C101 . H1012 . 0.950 no