#------------------------------------------------------------------------------ #$Date: 2016-02-16 20:30:59 +0000 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: svn://www.crystallography.net/cod/cif/4/30/87/4308736.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_4308736 loop_ _publ_author_name 'Yu Chikamoto' 'Tatsuya Kawamoto' 'Asako Igashira-Kamiyama' 'Takumi Konno' _publ_contact_author ; Takumi Konno Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043, Japan ; _publ_contact_author_email ' konno@ch.wani.osaka-u.ac.jp ' _publ_contact_author_fax ' +81-6-6850-5765 ' _publ_contact_author_phone ' +81-6-6850-5765 ' _publ_section_title ; Two Stereoisomers of an S-Bridged RhIII2PtII2 Tetranuclear Complex [{Pt(NH3)2}2{Rh(aet)3}2]4+ That Lead to a Discrete and a 1D RhIII2PtII2AgI Structures by Reacting with AgI (aet = 2-Aminoethanethiolate) ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1601 _journal_page_last 1610 _journal_paper_doi 10.1021/ic048680k _journal_volume 44 _journal_year 2005 _chemical_formula_moiety 'C12 H48 Cl4 O16 Pt2 Rh2 N10 S6' _chemical_formula_sum 'C12 H48 Cl4 N10 O16 Pt2 Rh2 S6' _chemical_formula_weight 1518.80 _space_group_IT_number 2 _symmetry_cell_setting triclinic _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _atom_type_scat_source 'International Tables (1974)' _cell_angle_alpha 103.89(3) _cell_angle_beta 93.10(3) _cell_angle_gamma 98.12(1) _cell_formula_units_Z 2 _cell_length_a 14.423(3) _cell_length_b 18.010(3) _cell_length_c 8.903(6) _cell_measurement_reflns_used 22 _cell_measurement_temperature 298 _cell_measurement_theta_max 17.5 _cell_measurement_theta_min 15.8 _cell_volume 2213.2(16) _computing_cell_refinement 'MXC(MAC Science)' _computing_data_collection 'MXC(MAC Science)' _computing_data_reduction Crystan _computing_molecular_graphics Crystan _computing_publication_material Crystan _computing_structure_refinement Crystan _computing_structure_solution Crystan _diffrn_measurement_device 'Mac Science MXC3' _diffrn_measurement_method theta/2theta _diffrn_orient_matrix_type standard _diffrn_orient_matrix_UB_11 0.04264 _diffrn_orient_matrix_UB_12 -0.03790 _diffrn_orient_matrix_UB_13 -0.04082 _diffrn_orient_matrix_UB_21 0.05171 _diffrn_orient_matrix_UB_22 0.04382 _diffrn_orient_matrix_UB_23 0.00334 _diffrn_orient_matrix_UB_31 0.02130 _diffrn_orient_matrix_UB_32 -0.00006 _diffrn_orient_matrix_UB_33 0.10873 _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.033 _diffrn_reflns_limit_h_max 18 _diffrn_reflns_limit_h_min -18 _diffrn_reflns_limit_k_max 22 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 10 _diffrn_reflns_limit_l_min 0 _diffrn_reflns_number 8984 _diffrn_reflns_theta_max 26.43 _diffrn_standards_decay_% 33.887 _diffrn_standards_interval_count 100 _diffrn_standards_number 3 _exptl_absorpt_coefficient_mu 7.671 _exptl_absorpt_correction_T_max 0.994 _exptl_absorpt_correction_T_min 0.568 _exptl_absorpt_correction_type empirical _exptl_crystal_colour Yellow _exptl_crystal_density_diffrn 2.279 _exptl_crystal_description Needle _exptl_crystal_size_max 0.30 _exptl_crystal_size_mid 0.10 _exptl_crystal_size_min 0.08 _refine_diff_density_max 4.00 _refine_diff_density_min -3.22 _refine_ls_extinction_method None _refine_ls_goodness_of_fit_obs 4.561 _refine_ls_hydrogen_treatment refU _refine_ls_number_parameters 313 _refine_ls_number_reflns 6147 _refine_ls_R_factor_obs 0.073 _refine_ls_shift/esd_max 1.3284 _refine_ls_shift/esd_mean 0.0159 _refine_ls_structure_factor_coef F^2 _refine_ls_weighting_scheme calc _refine_ls_wR_factor_obs 0.089 _reflns_number_observed 6147 _reflns_number_total 7364 _reflns_observed_criterion refl_observed_if_I_>_2.00_sigma(I) _cod_data_source_file ic048680ksi20041205_091750_2.cif _cod_data_source_block '[1b](ClO4)4*2H2O' _cod_depositor_comments ; The following automatic conversions were performed: '_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic' according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29. Automatic conversion script Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius The following automatic conversions were performed: '_atom_site_thermal_displace_type' tag value 'Uij' was replaced with 'Uani' value 32 times. Automatic conversion script Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana ; _cod_original_cell_volume 2213(2) _cod_original_sg_symbol_H-M 'P -1 ' _cod_original_formula_sum 'C12 H48 Cl4 O16 Pt2 Rh2 N10 S6' _cod_database_code 4308736 loop_ _symmetry_equiv_pos_as_xyz +X,+Y,+Z -X,-Y,-Z 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 Pt1 0.0286(7) 0.0421(7) 0.0318(7) 0.0068(5) 0.0028(6) 0.0148(6) Pt2 0.0331(8) 0.0433(8) 0.0307(7) 0.0086(6) 0.0045(6) 0.0116(6) Rh1 0.029(1) 0.040(1) 0.035(1) 0.004(1) 0.002(1) 0.011(1) Rh2 0.030(1) 0.044(1) 0.035(1) 0.008(1) 0.000(1) 0.012(1) S1 0.030(4) 0.053(5) 0.040(5) 0.008(4) 0.003(4) 0.020(4) S2 0.036(5) 0.057(5) 0.038(5) 0.012(4) 0.005(4) 0.012(4) S3 0.055(6) 0.042(5) 0.066(6) 0.012(4) 0.007(5) 0.003(5) S4 0.029(4) 0.050(5) 0.036(4) 0.006(4) 0.003(4) 0.015(4) S5 0.036(5) 0.054(5) 0.034(4) 0.009(4) 0.004(4) 0.009(4) S6 0.039(5) 0.045(5) 0.068(6) 0.010(4) 0.002(5) 0.018(5) N1 0.04(2) 0.07(2) 0.04(2) -0.01(2) -0.01(1) 0.00(2) N2 0.04(2) 0.05(2) 0.06(2) 0.02(1) 0.00(2) 0.01(2) N3 0.04(2) 0.04(2) 0.06(2) 0.00(1) 0.01(2) 0.02(1) N4 0.04(2) 0.07(2) 0.04(2) 0.01(2) -0.01(1) 0.00(2) N5 0.04(2) 0.07(2) 0.06(2) 0.01(2) -0.01(2) 0.02(2) N6 0.05(2) 0.06(2) 0.05(2) 0.01(2) -0.01(2) 0.01(2) N7 0.03(2) 0.06(2) 0.08(2) 0.02(1) 0.01(2) 0.03(2) N8 0.03(2) 0.06(2) 0.06(2) 0.01(1) 0.01(1) 0.02(2) N9 0.06(2) 0.08(2) 0.04(2) 0.02(2) 0.00(2) 0.01(2) N10 0.03(2) 0.05(2) 0.06(2) 0.00(1) 0.00(1) 0.01(1) C1 0.05(2) 0.09(3) 0.04(2) 0.02(2) 0.00(2) 0.02(2) C2 0.04(2) 0.07(2) 0.05(2) 0.00(2) 0.00(2) 0.02(2) C3 0.07(3) 0.06(3) 0.13(4) 0.05(2) -0.04(3) -0.04(3) C4 0.2(1) 0.1(0) 0.2(1) 0.1(0) -0.1(1) -0.1(0) C5 0.06(3) 0.05(3) 0.41(13) 0.02(2) 0.07(5) 0.08(5) C6 0.15(6) 0.05(3) 0.21(7) -0.02(3) 0.11(6) 0.01(4) C7 0.02(2) 0.08(3) 0.13(4) -0.01(2) -0.01(2) 0.07(3) C8 0.05(2) 0.04(2) 0.05(2) 0.00(2) 0.00(2) 0.01(2) C9 0.05(3) 0.09(3) 0.04(2) 0.01(2) 0.00(2) 0.02(2) C10 0.04(2) 0.08(3) 0.05(2) 0.01(2) -0.01(2) 0.02(2) C11 0.10(5) 0.10(4) 0.15(6) 0.03(3) 0.07(4) -0.01(4) C12 0.07(4) 0.11(4) 0.14(5) 0.02(3) 0.02(4) 0.04(4) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_occupancy _atom_site_thermal_displace_type Pt1 0.19676(9) -0.21028(8) 0.03509(15) 0.0348(6) 1.000 Uani Pt2 0.11521(10) -0.22138(8) 0.36794(15) 0.0365(6) 1.000 Uani Rh1 -0.08932(18) -0.28235(14) 0.02682(29) 0.036(1) 1.000 Uani Rh2 0.39583(18) -0.24289(15) 0.32259(30) 0.037(1) 1.000 Uani Cl1 0.6740(8) 0.0109(6) 0.2171(13) 0.071(3) 1.000 Uiso Cl2 0.3072(9) 0.1300(7) 0.3523(14) 0.077(3) 1.000 Uiso Cl3 0.4130(12) 0.3982(10) 0.3038(20) 0.119(5) 1.000 Uiso Cl4 1.0059(13) 0.0260(10) 0.1603(21) 0.125(5) 1.000 Uiso S1 0.0399(6) -0.2117(5) -0.0455(10) 0.042(4) 1.000 Uani S2 -0.0453(6) -0.2456(5) 0.2943(10) 0.045(5) 1.000 Uani S3 -0.0308(7) -0.3984(5) -0.0123(12) 0.057(5) 1.000 Uani S4 0.3557(6) -0.2104(5) 0.0922(9) 0.039(4) 1.000 Uani S5 0.2727(6) -0.1990(5) 0.4579(10) 0.043(4) 1.000 Uani S6 0.3254(6) -0.3707(5) 0.2304(12) 0.052(5) 1.000 Uani O1 0.668(3) -0.015(2) 0.354(5) 0.06(3) 1.000 Uiso O2 0.594(3) 0.055(2) 0.226(5) 0.13(3) 1.000 Uiso O3 0.763(3) 0.060(2) 0.234(4) 0.12(4) 1.000 Uiso O4 0.670(3) -0.041(2) 0.076(4) 0.12(3) 1.000 Uiso O5 0.336(4) 0.173(4) 0.504(7) 0.11(5) 1.000 Uiso O6 0.393(3) 0.126(3) 0.297(5) 0.20(5) 1.000 Uiso O7 0.253(3) 0.053(3) 0.356(6) 0.15(4) 1.000 Uiso O8 0.251(3) 0.171(4) 0.284(5) 0.2(1) 1.000 Uiso O9 0.396(4) 0.425(3) 0.466(6) 0.17(4) 0.500 Uiso O10 0.336(3) 0.416(2) 0.214(5) 0.13(9) 1.000 Uiso O11 0.5011(18) 0.4355(16) 0.2675(31) 0.1(1) 0.500 Uiso O12 0.405(2) 0.322(2) 0.336(3) 0.18(3) 0.500 Uiso O13 0.4378(18) 0.4453(14) 0.1966(33) 0.34(4) 0.500 Uiso O14 0.338(2) 0.332(1) 0.271(3) 0.22(5) 0.500 Uiso O15 0.349(2) 0.446(2) 0.387(5) 0.17(5) 0.500 Uiso O17 0.997(2) 0.089(1) 0.292(3) 0.12(3) 1.000 Uiso O18 1.0435(19) -0.0192(15) 0.2568(32) 0.135(8) 1.000 Uiso O19 1.071(3) 0.028(2) 0.043(5) 0.15(1) 1.000 Uiso O20 0.915(19) -0.013(15) 0.080(29) 0.2(3) 1.000 Uiso O21 0.941(2) 0.493(2) 0.479(3) 0.072(8) 1.000 Uiso O22 0.373(3) 0.211(2) 0.995(5) 0.13(1) 1.000 Uiso N1 -0.134(2) -0.315(2) -0.217(3) 0.06(2) 1.000 Uani N2 -0.153(2) -0.179(2) 0.067(4) 0.05(2) 1.000 Uani N3 -0.214(2) -0.346(2) 0.074(4) 0.05(2) 1.000 Uani N4 0.464(2) -0.126(2) 0.401(3) 0.06(2) 1.000 Uani N5 0.437(2) -0.270(2) 0.529(4) 0.06(2) 1.000 Uani N6 0.517(2) -0.279(2) 0.230(3) 0.06(2) 1.000 Uani N7 0.205(2) -0.091(2) 0.090(4) 0.06(2) 1.000 Uani N8 0.1904(19) -0.3289(17) -0.0400(35) 0.05(2) 1.000 Uani N9 0.123(2) -0.104(2) 0.445(3) 0.06(2) 1.000 Uani N10 0.1077(19) -0.3381(16) 0.3152(34) 0.05(2) 1.000 Uani C1 0.023(3) -0.260(2) -0.257(4) 0.06(2) 1.000 Uani C2 -0.078(3) -0.267(2) -0.310(4) 0.05(2) 1.000 Uani C3 -0.097(3) -0.158(2) 0.348(7) 0.09(3) 1.000 Uani C4 -0.174(6) -0.156(3) 0.240(8) 0.16(6) 1.000 Uani C5 -0.127(4) -0.451(3) 0.051(12) 0.17(5) 1.000 Uani C6 -0.206(5) -0.429(3) 0.057(9) 0.14(5) 1.000 Uani C7 0.427(2) -0.112(2) 0.150(6) 0.08(3) 1.000 Uani C8 0.426(3) -0.075(2) 0.321(4) 0.05(2) 1.000 Uani C9 0.285(3) -0.250(2) 0.610(4) 0.06(2) 1.000 Uani C10 0.386(2) -0.244(2) 0.660(4) 0.06(2) 1.000 Uani C11 0.417(4) -0.404(3) 0.120(8) 0.12(4) 1.000 Uani C12 0.510(4) -0.357(4) 0.187(7) 0.11(4) 1.000 Uani H1A 0.03961 -0.31092 -0.27138 0.05(9) 1.000 Uiso H1B 0.06201 -0.23152 -0.31428 0.1(2) 1.000 Uiso H2A -0.09498 -0.21660 -0.29116 0.1(1) 1.000 Uiso H2B -0.08838 -0.29160 -0.41936 0.1(2) 1.000 Uiso H3A -0.04802 -0.11405 0.36334 0.1(5) 1.000 Uiso H3B -0.12512 -0.15635 0.44374 0.1(5) 1.000 Uiso H4A -0.23081 -0.18628 0.25602 0.2(286 1.000 Uiso H4B -0.18151 -0.10298 0.25812 0.2(32) 1.000 Uiso H5A -0.10675 -0.45394 0.15454 0.1(42) 1.000 Uiso H5B -0.13575 -0.50244 -0.01636 0.2(3) 1.000 Uiso H6A -0.24196 -0.45631 -0.03875 0.1(43) 1.000 Uiso H6B -0.23526 -0.44351 0.14165 0.1(22) 1.000 Uiso H7A 0.40274 -0.08084 0.08727 0.04(9) 1.000 Uiso H7B 0.49064 -0.11624 0.12937 0.1(1) 1.000 Uiso H8A 0.46341 -0.02397 0.34692 0.05(6) 1.000 Uiso H8B 0.36271 -0.06987 0.34472 0.05(5) 1.000 Uiso H9A 0.26203 -0.30395 0.56985 0.1(1) 1.000 Uiso H9B 0.25153 -0.22835 0.69565 0.03(9) 1.000 Uiso H10A 0.41047 -0.19008 0.70231 0.2(2) 1.000 Uiso H10B 0.39667 -0.27148 0.73721 0.03(6) 1.000 Uiso H11A 0.40828 -0.39463 0.01868 0.1(19) 1.000 Uiso H11B 0.41848 -0.45833 0.10828 0.1(1) 1.000 Uiso H12A 0.52853 -0.37419 0.27682 0.1(24) 1.000 Uiso H12B 0.55723 -0.36949 0.11602 0.10(9) 1.000 Uiso H13A -0.19870 -0.31078 -0.22981 0.1(4) 1.000 Uiso H13B -0.12640 -0.36868 -0.25621 0.1(4) 1.000 Uiso H14A -0.21206 -0.18950 0.00628 0.1(1) 1.000 Uiso H14B -0.11246 -0.13890 0.03598 0.04(9) 1.000 Uiso H15A -0.26426 -0.34180 0.00337 0.1(2) 1.000 Uiso H15B -0.22646 -0.32430 0.17817 0.05(8) 1.000 Uiso H16A 0.52954 -0.12376 0.38614 0.1(1) 1.000 Uiso H16B 0.45724 -0.10806 0.51014 0.1(1) 1.000 Uiso H17A 0.50287 -0.24993 0.55560 0.02(8) 1.000 Uiso H17B 0.42987 -0.32533 0.51000 0.03(7) 1.000 Uiso H18A 0.57093 -0.25860 0.30457 0.1(1) 1.000 Uiso H18B 0.52823 -0.25900 0.14047 0.1(5) 1.000 Uiso H19A 0.15254 -0.07004 0.13505 0.1(2) 1.000 Uiso H19B 0.26544 -0.06244 0.13745 0.03(8) 1.000 Uiso H19C 0.21944 -0.06864 0.00435 0.1(2) 1.000 Uiso H20A 0.21203 -0.34024 -0.14222 0.1(2) 1.000 Uiso H20B 0.13533 -0.35204 -0.00352 0.05(5) 1.000 Uiso H20C 0.21073 -0.35044 0.04288 0.04(8) 1.000 Uiso H21A 0.108(4) -0.078(3) 0.368(6) 0.04(8) 1.000 Uiso H21B 0.164(3) -0.093(3) 0.539(6) 0.1(6) 1.000 Uiso H21C 0.091(4) -0.090(3) 0.537(8) 0.1(1) 1.000 Uiso H22A 0.087(3) -0.356(3) 0.402(5) 0.02(7) 1.000 Uiso H22B 0.158(5) -0.335(4) 0.249(9) 0.0(1) 1.000 Uiso H22C 0.06408 -0.33945 0.22959 0.1(1) 1.000 Uiso loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l 11 4 4 -2 -10 -13 2 6 3 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_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag S1 Pt1 S4 174.9(3) . . . yes S1 Pt1 N7 84.7(9) . . . yes S1 Pt1 N8 94.8(9) . . . yes S4 Pt1 N7 96.0(9) . . . yes S4 Pt1 N8 84.1(9) . . . yes N7 Pt1 N8 174.8(13) . . . yes S2 Pt2 S5 176.0(4) . . . yes S2 Pt2 N9 95.2(10) . . . yes S2 Pt2 N10 85.8(9) . . . yes S5 Pt2 N9 85.2(10) . . . yes S5 Pt2 N10 93.4(9) . . . yes N9 Pt2 N10 173.8(12) . . . yes S1 Rh1 S2 96.8(4) . . . yes S1 Rh1 S3 96.6(4) . . . yes S1 Rh1 N1 84.5(9) . . . yes S1 Rh1 N2 87.4(9) . . . yes S1 Rh1 N3 174.7(9) . . . yes S2 Rh1 S3 94.4(4) . . . yes S2 Rh1 N1 178.3(9) . . . yes S2 Rh1 N2 85.4(9) . . . yes S2 Rh1 N3 88.1(9) . . . yes S3 Rh1 N1 86.6(9) . . . yes S3 Rh1 N2 176.0(9) . . . yes S3 Rh1 N3 85.2(8) . . . yes N1 Rh1 N2 93.5(12) . . . yes N1 Rh1 N3 90.6(12) . . . yes N2 Rh1 N3 90.7(11) . . . yes S4 Rh2 S5 97.5(4) . . . yes S4 Rh2 S6 93.6(4) . . . yes S4 Rh2 N4 85.5(9) . . . yes S4 Rh2 N5 178.0(9) . . . yes S4 Rh2 N6 89.2(9) . . . yes S5 Rh2 S6 97.0(4) . . . yes S5 Rh2 N4 84.8(9) . . . yes S5 Rh2 N5 83.7(9) . . . yes S5 Rh2 N6 172.3(9) . . . yes S6 Rh2 N4 178.0(9) . . . yes S6 Rh2 N5 87.8(9) . . . yes S6 Rh2 N6 86.2(10) . . . yes N4 Rh2 N5 93.1(12) . . . yes N4 Rh2 N6 92.0(12) . . . yes N5 Rh2 N6 89.5(12) . . . yes O1 Cl1 O2 100.7(24) . . . yes O1 Cl1 O3 106.0(25) . . . yes O1 Cl1 O4 120.4(24) . . . yes O2 Cl1 O3 112.6(24) . . . yes O2 Cl1 O4 111.3(24) . . . yes O3 Cl1 O4 105.9(24) . . . yes O5 Cl2 O6 99.3(31) . . . yes O5 Cl2 O7 108.9(32) . . . yes O5 Cl2 O8 108.2(34) . . . yes O6 Cl2 O7 114.3(28) . . . yes O6 Cl2 O8 114.7(29) . . . yes O7 Cl2 O8 110.6(31) . . . yes O9 Cl3 O10 105.9(29) . . . yes O9 Cl3 O11 113.0(26) . . . yes O9 Cl3 O12 84.8(26) . . . yes O9 Cl3 O13 127.2(27) . . . yes O9 Cl3 O14 94.6(26) . . . yes O9 Cl3 O15 44.9(27) . . . yes O10 Cl3 O11 109.6(23) . . . yes O10 Cl3 O12 119.2(24) . . . yes O10 Cl3 O13 63.1(21) . . . yes O10 Cl3 O14 72.4(22) . . . yes O10 Cl3 O15 61.9(24) . . . yes O11 Cl3 O12 120.7(20) . . . yes O11 Cl3 O13 46.5(16) . . . yes O11 Cl3 O14 149.7(20) . . . yes O11 Cl3 O15 119.1(23) . . . yes O12 Cl3 O13 147.3(20) . . . yes O12 Cl3 O14 46.9(17) . . . yes O12 Cl3 O15 112.9(23) . . . yes O13 Cl3 O14 124.7(19) . . . yes O13 Cl3 O15 97.0(22) . . . yes O14 Cl3 O15 89.1(22) . . . yes O17 Cl4 O18 93.5(18) . . . yes O17 Cl4 O19 126.4(24) . . . yes O17 Cl4 O19 135.5(21) . . 2_755 yes O17 Cl4 O20 112.1(104) . . . yes O18 Cl4 O19 104.8(24) . . . yes O18 Cl4 O19 119.9(20) . . 2_755 yes O18 Cl4 O20 111.4(103) . . . yes O19 Cl4 O19 75.4(23) . . 2_755 yes O19 Cl4 O20 107.0(103) . . . yes O19 Cl4 O20 31.6(102) 2_755 . . yes Pt1 S1 Rh1 125.9(4) . . . yes Pt1 S1 C1 106.8(13) . . . yes Rh1 S1 C1 97.1(13) . . . yes Pt2 S2 Rh1 116.1(4) . . . yes Pt2 S2 C3 111.3(16) . . . yes Rh1 S2 C3 100.0(19) . . . yes Rh1 S3 C5 96.8(18) . . . yes Pt1 S4 Rh2 115.9(4) . . . yes Pt1 S4 C7 113.4(12) . . . yes Rh2 S4 C7 95.1(16) . . . yes Pt2 S5 Rh2 127.1(4) . . . yes Pt2 S5 C9 107.7(14) . . . yes Rh2 S5 C9 96.4(13) . . . yes Rh2 S6 C11 97.4(20) . . . yes Cl3 O9 O15 67.8(34) . . . yes Cl3 O10 O13 58.2(19) . . . yes Cl3 O10 O15 59.1(23) . . . yes O13 O10 O15 92.3(29) . . . yes Cl3 O11 O13 67.1(20) . . . yes Cl3 O12 O14 66.7(21) . . . yes Cl3 O13 O10 58.7(20) . . . yes Cl3 O13 O11 66.4(21) . . . yes O10 O13 O11 125.0(30) . . . yes Cl3 O14 O12 66.4(22) . . . yes Cl3 O15 O9 67.3(34) . . . yes Cl3 O15 O10 59.0(23) . . . yes O9 O15 O10 125.1(44) . . . yes Cl4 O19 Cl4 104.6(26) . . 2_755 yes Cl4 O19 O20 148.5(146) . . 2_755 yes Cl4 O19 O20 43.9(142) 2_755 . 2_755 yes Cl4 O20 O19 104.5(198) . . 2_755 yes Rh1 N1 C2 113.6(22) . . . yes Rh1 N2 C4 108.7(29) . . . yes Rh1 N3 C6 112.1(32) . . . yes Rh2 N4 C8 113.1(22) . . . yes Rh2 N5 C10 116.9(24) . . . yes Rh2 N6 C12 112.6(30) . . . yes S1 C1 C2 108.5(26) . . . yes N1 C2 C1 107.2(30) . . . yes S2 C3 C4 112.8(41) . . . yes N2 C4 C3 114.2(61) . . . yes S3 C5 C6 120.9(46) . . . yes N3 C6 C5 120.8(52) . . . yes S4 C7 C8 112.0(29) . . . yes N4 C8 C7 105.7(30) . . . yes S5 C9 C10 109.5(28) . . . yes N5 C10 C9 110.8(31) . . . yes S6 C11 C12 110.8(44) . . . yes N6 C12 C11 118.5(47) . . . yes loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pt1 S1 2.332(9) . . yes Pt1 S4 2.321(9) . . yes Pt1 N7 2.07(4) . . yes Pt1 N8 2.07(3) . . yes Pt1 Pt2 3.286(2) . . yes Pt2 S2 2.322(9) . . yes Pt2 S5 2.314(9) . . yes Pt2 N9 2.04(4) . . yes Pt2 N10 2.03(3) . . yes Rh1 S1 2.315(9) . . yes Rh1 S2 2.339(9) . . yes Rh1 S3 2.320(10) . . yes Rh1 N1 2.14(3) . . yes Rh1 N2 2.15(3) . . yes Rh1 N3 2.11(3) . . yes Rh2 S4 2.330(9) . . yes Rh2 S5 2.324(10) . . yes Rh2 S6 2.312(10) . . yes Rh2 N4 2.13(4) . . yes Rh2 N5 2.09(4) . . yes Rh2 N6 2.09(4) . . yes Cl1 O1 1.41(5) . . yes Cl1 O2 1.48(5) . . yes Cl1 O3 1.42(5) . . yes Cl1 O4 1.37(4) . . yes Cl2 O5 1.39(6) . . yes Cl2 O6 1.37(6) . . yes Cl2 O7 1.51(5) . . yes Cl2 O8 1.38(6) . . yes Cl3 O9 1.45(6) . . yes Cl3 O10 1.46(5) . . yes Cl3 O11 1.44(4) . . yes Cl3 O12 1.45(4) . . yes Cl3 O13 1.45(4) . . yes Cl3 O14 1.45(4) . . yes Cl3 O15 1.46(5) . . yes Cl4 O17 1.45(4) . . yes Cl4 O18 1.45(4) . . yes Cl4 O19 1.45(5) . . yes Cl4 O19 2.02(5) . 2_755 yes Cl4 O20 1.45(27) . . yes S1 C1 1.86(4) . . yes S2 C3 1.82(5) . . yes S3 C5 1.76(7) . . yes S4 C7 1.86(5) . . yes S5 C9 1.82(4) . . yes S6 C11 1.78(7) . . yes O9 O15 1.11(7) . . yes O10 O13 1.52(5) . . yes O10 O15 1.50(6) . . yes O11 O13 1.14(4) . . yes O12 O14 1.16(5) . . yes O19 O20 1.10(26) . 2_755 yes N1 C2 1.53(5) . . yes N2 C4 1.55(9) . . yes N3 C6 1.48(6) . . yes N4 C8 1.45(5) . . yes N5 C10 1.43(5) . . yes N6 C12 1.35(7) . . yes C1 C2 1.47(6) . . yes C3 C4 1.44(10) . . yes C5 C6 1.27(9) . . yes C7 C8 1.51(7) . . yes C9 C10 1.47(6) . . yes C11 C12 1.49(9) . . yes