# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2007 data_global _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 _publ_section_title ;The reaction of [Bu4N]2[Pd2Br6(Se2N2)] with [14]aneS4; an effective source of the diselenium dinitride unit ; loop_ _publ_author_name P.Kelly S.M.Aucott D.Drennan S.L.M.James A.Slawin _publ_contact_author_name 'Paul Kelly' _publ_contact_author_email P.F.KELLY@LBORO.AC.UK # Attachment 'B707450F_revised_cif.cif' data_kelly24 _database_code_depnum_ccdc_archive 'CCDC 647930' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety 'C16 H22 Br2 Cl2 N2 P2 Pt2 Se2' _chemical_formula_sum 'C16 H22 Br2 Cl2 N2 P2 Pt2 Se2' _chemical_formula_weight 1083.12 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pt Pt -1.7033 8.3905 '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' _symmetry_cell_setting Triclinic _symmetry_space_group_name_H-M P-1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.2846(14) _cell_length_b 14.2595(17) _cell_length_c 17.271(2) _cell_angle_alpha 74.752(3) _cell_angle_beta 89.924(5) _cell_angle_gamma 78.084(5) _cell_volume 2619.4(6) _cell_formula_units_Z 4 _cell_measurement_temperature 93(2) _cell_measurement_reflns_used 7468 _cell_measurement_theta_min 2.9485 _cell_measurement_theta_max 27.8884 _exptl_crystal_description Prism _exptl_crystal_colour brown _exptl_crystal_size_max 0.1000 _exptl_crystal_size_mid 0.1000 _exptl_crystal_size_min 0.1000 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 2.747 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1960 _exptl_absorpt_coefficient_mu 16.833 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.168 _exptl_absorpt_correction_T_max 0.186 _exptl_absorpt_process_details 'Jacobson, R. (1998) Private communication' _exptl_special_details ; ? ; _diffrn_ambient_temperature 93(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'rotating anode' _diffrn_radiation_monochromator confocal _diffrn_radiation_detector ccd _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 23716 _diffrn_reflns_av_R_equivalents 0.0777 _diffrn_reflns_av_sigmaI/netI 0.0706 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 17 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 20 _diffrn_reflns_theta_min 2.95 _diffrn_reflns_theta_max 25.35 _reflns_number_total 9231 _reflns_number_gt 8517 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'CrystalClear (Rigaku Corp., 2004)' _computing_cell_refinement 'CrystalClear (Rigaku Corp., 2004)' _computing_data_reduction 'CrystalClear (Rigaku Corp., 2004)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. The halide positions are refined as 50/50 occupancies bromine atoms and chlorine atoms, with isotropic thermal parameters and eadp instructions. An ISOR restarint was also applied to C(17) and C(30) ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0884P)^2^+14.4849P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 9231 _refine_ls_number_parameters 490 _refine_ls_number_restraints 28 _refine_ls_R_factor_all 0.0585 _refine_ls_R_factor_gt 0.0554 _refine_ls_wR_factor_ref 0.1443 _refine_ls_wR_factor_gt 0.1405 _refine_ls_goodness_of_fit_ref 1.063 _refine_ls_restrained_S_all 1.088 _refine_ls_shift/su_max 0.011 _refine_ls_shift/su_mean 0.000 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_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pt1 Pt -0.13830(2) 0.26611(2) 0.076022(17) 0.00736(12) Uani 1 1 d D . . Br1 Br -0.1839(2) 0.44431(12) 0.02758(17) 0.0122(3) Uiso 0.50 1 d PD A 1 Br2 Br -0.0769(2) 0.08650(12) 0.10624(17) 0.0093(3) Uiso 0.50 1 d PD A 1 Cl1 Cl -0.1668(6) 0.4405(2) 0.0327(4) 0.0122(3) Uiso 0.50 1 d PD A 2 Cl2 Cl -0.0678(6) 0.0930(2) 0.1115(4) 0.0093(3) Uiso 0.50 1 d PD A 2 N1 N -0.0138(6) 0.2677(5) -0.0093(4) 0.0104(13) Uani 1 1 d . A . Se1 Se 0.03328(7) 0.36885(6) -0.08100(5) 0.01004(18) Uani 1 1 d . . . N2 N 0.1233(6) 0.2686(5) -0.1141(4) 0.0084(13) Uani 1 1 d . A . Se2 Se 0.07623(7) 0.16755(6) -0.04260(5) 0.01049(18) Uani 1 1 d . A . Pt2 Pt 0.25122(3) 0.26571(2) -0.197204(17) 0.00710(12) Uani 1 1 d D . . Br3 Br 0.2009(3) 0.44344(13) -0.22548(18) 0.0174(4) Uiso 0.50 1 d PD A 1 Br4 Br 0.2764(3) 0.08835(13) -0.1511(2) 0.0172(4) Uiso 0.50 1 d PD A 1 Cl3 Cl 0.1947(7) 0.4405(2) -0.2351(5) 0.0174(4) Uiso 0.50 1 d PD A 2 Cl4 Cl 0.2883(8) 0.0915(2) -0.1554(6) 0.0172(4) Uiso 0.50 1 d PD A 2 P1 P -0.27394(18) 0.25922(15) 0.17096(12) 0.0103(4) Uani 1 1 d . A . C1 C -0.2013(7) 0.2179(6) 0.2712(5) 0.0126(16) Uani 1 1 d . . . C2 C -0.1643(8) 0.1167(7) 0.3098(5) 0.0203(19) Uani 1 1 d . A . H2A H -0.1813 0.0681 0.2854 0.024 Uiso 1 1 calc R . . C3 C -0.1015(8) 0.0880(7) 0.3855(5) 0.023(2) Uani 1 1 d . . . H3A H -0.0745 0.0194 0.4120 0.028 Uiso 1 1 calc R A . C4 C -0.0789(8) 0.1577(8) 0.4212(6) 0.029(2) Uani 1 1 d . A . H4A H -0.0376 0.1370 0.4727 0.035 Uiso 1 1 calc R . . C5 C -0.1150(8) 0.2567(8) 0.3839(5) 0.023(2) Uani 1 1 d . . . H5A H -0.0994 0.3043 0.4098 0.028 Uiso 1 1 calc R A . C6 C -0.1743(8) 0.2882(7) 0.3083(5) 0.0170(18) Uani 1 1 d . A . H6A H -0.1965 0.3572 0.2816 0.020 Uiso 1 1 calc R . . C7 C -0.3801(7) 0.3750(6) 0.1657(5) 0.0181(18) Uani 1 1 d . . . H7A H -0.4356 0.3647 0.2094 0.027 Uiso 1 1 calc R A . H7B H -0.4268 0.3976 0.1139 0.027 Uiso 1 1 calc R . . H7C H -0.3356 0.4254 0.1710 0.027 Uiso 1 1 calc R . . C8 C -0.3695(8) 0.1732(7) 0.1671(5) 0.0218(19) Uani 1 1 d . . . H8A H -0.4272 0.1727 0.2096 0.033 Uiso 1 1 calc R A . H8B H -0.3191 0.1063 0.1750 0.033 Uiso 1 1 calc R . . H8C H -0.4140 0.1939 0.1147 0.033 Uiso 1 1 calc R . . P2 P 0.38834(18) 0.25962(16) -0.28999(13) 0.0123(4) Uani 1 1 d . A . C9 C 0.3228(7) 0.2382(7) -0.3773(5) 0.0159(17) Uani 1 1 d . . . C10 C 0.2508(9) 0.3180(7) -0.4356(6) 0.027(2) Uani 1 1 d . A . H10A H 0.2385 0.3835 -0.4293 0.032 Uiso 1 1 calc R . . C11 C 0.1979(11) 0.3022(12) -0.5019(6) 0.049(4) Uani 1 1 d . . . H11A H 0.1516 0.3572 -0.5413 0.059 Uiso 1 1 calc R A . C12 C 0.2111(11) 0.2097(12) -0.5114(7) 0.050(4) Uani 1 1 d . A . H12A H 0.1730 0.1998 -0.5568 0.060 Uiso 1 1 calc R . . C13 C 0.2813(9) 0.1279(11) -0.4541(8) 0.048(4) Uani 1 1 d . . . H13A H 0.2906 0.0628 -0.4607 0.058 Uiso 1 1 calc R A . C14 C 0.3374(8) 0.1424(8) -0.3874(7) 0.032(2) Uani 1 1 d . A . H14A H 0.3854 0.0872 -0.3490 0.039 Uiso 1 1 calc R . . C15 C 0.5218(8) 0.1614(8) -0.2573(6) 0.027(2) Uani 1 1 d . . . H15A H 0.5776 0.1634 -0.3009 0.041 Uiso 1 1 calc R A . H15B H 0.4981 0.0969 -0.2428 0.041 Uiso 1 1 calc R . . H15C H 0.5620 0.1706 -0.2104 0.041 Uiso 1 1 calc R . . C16 C 0.4461(9) 0.3719(7) -0.3254(6) 0.027(2) Uani 1 1 d . . . H16A H 0.5055 0.3631 -0.3657 0.040 Uiso 1 1 calc R A . H16B H 0.4852 0.3856 -0.2801 0.040 Uiso 1 1 calc R . . H16C H 0.3790 0.4279 -0.3495 0.040 Uiso 1 1 calc R . . Pt3 Pt 0.75285(3) 0.26409(2) 0.579124(17) 0.00693(12) Uani 1 1 d D . . Br5 Br 0.6975(2) 0.44177(12) 0.53298(13) 0.0106(3) Uiso 0.50 1 d PD B 1 Br6 Br 0.7881(2) 0.08638(12) 0.60816(16) 0.0166(4) Uiso 0.50 1 d PD B 1 Cl5 Cl 0.7149(5) 0.4379(2) 0.5249(3) 0.0106(3) Uiso 0.50 1 d PD B 2 Cl6 Cl 0.7726(6) 0.0911(2) 0.6163(4) 0.0166(4) Uiso 0.50 1 d PD B 2 N3 N 0.6266(6) 0.2648(5) 0.4939(4) 0.0098(13) Uani 1 1 d . B . Se3 Se 0.52782(7) 0.36426(6) 0.42175(5) 0.01084(19) Uani 1 1 d . . . N4 N 0.4886(6) 0.2628(5) 0.3909(4) 0.0122(14) Uani 1 1 d . B . Se4 Se 0.58737(7) 0.16290(6) 0.46435(5) 0.01135(19) Uani 1 1 d . B . Pt4 Pt 0.36441(3) 0.25923(2) 0.307237(18) 0.00753(12) Uani 1 1 d D . . Br7 Br 0.3215(2) 0.43613(13) 0.27951(16) 0.0190(4) Uiso 0.50 1 d PD B 1 Br8 Br 0.42625(19) 0.08007(11) 0.35546(13) 0.0075(3) Uiso 0.50 1 d PD B 1 Cl7 Cl 0.3351(6) 0.4340(2) 0.2686(4) 0.0190(4) Uiso 0.50 1 d PD B 2 Cl8 Cl 0.4392(5) 0.0855(2) 0.3447(3) 0.0075(3) Uiso 0.50 1 d PD B 2 P3 P 0.88840(18) 0.25848(16) 0.67545(12) 0.0109(4) Uani 1 1 d . B . C17 C 0.8279(7) 0.2243(6) 0.7736(5) 0.0118(16) Uani 1 1 d U . . C18 C 0.8386(7) 0.1240(6) 0.8164(5) 0.0172(18) Uani 1 1 d . B . H18A H 0.8805 0.0729 0.7943 0.021 Uiso 1 1 calc R . . C19 C 0.7886(8) 0.0989(7) 0.8905(6) 0.024(2) Uani 1 1 d . . . H19A H 0.7963 0.0309 0.9188 0.029 Uiso 1 1 calc R B . C20 C 0.7281(8) 0.1719(8) 0.9231(5) 0.027(2) Uani 1 1 d . B . H20A H 0.6943 0.1541 0.9740 0.033 Uiso 1 1 calc R . . C21 C 0.7161(9) 0.2709(8) 0.8827(6) 0.029(2) Uani 1 1 d . . . H21A H 0.6742 0.3211 0.9057 0.035 Uiso 1 1 calc R B . C22 C 0.7657(8) 0.2975(7) 0.8077(5) 0.0196(19) Uani 1 1 d . B . H22A H 0.7570 0.3658 0.7799 0.024 Uiso 1 1 calc R . . C23 C 1.0259(7) 0.1664(7) 0.6787(6) 0.024(2) Uani 1 1 d . . . H23A H 1.0820 0.1670 0.7218 0.036 Uiso 1 1 calc R B . H23B H 1.0638 0.1818 0.6271 0.036 Uiso 1 1 calc R . . H23C H 1.0066 0.1004 0.6891 0.036 Uiso 1 1 calc R . . C24 C 0.9377(8) 0.3731(7) 0.6679(6) 0.0232(19) Uani 1 1 d . . . H24A H 0.9967 0.3634 0.7123 0.035 Uiso 1 1 calc R B . H24B H 0.8677 0.4255 0.6705 0.035 Uiso 1 1 calc R . . H24C H 0.9756 0.3924 0.6166 0.035 Uiso 1 1 calc R . . P4 P 0.22825(18) 0.25343(16) 0.21567(12) 0.0105(4) Uani 1 1 d . B . C25 C 0.3002(7) 0.2217(6) 0.1296(5) 0.0125(16) Uani 1 1 d . . . C26 C 0.3408(8) 0.1222(7) 0.1298(6) 0.022(2) Uani 1 1 d . B . H26A H 0.3282 0.0704 0.1744 0.026 Uiso 1 1 calc R . . C27 C 0.3995(9) 0.0996(8) 0.0642(6) 0.029(2) Uani 1 1 d . . . H27A H 0.4262 0.0320 0.0640 0.035 Uiso 1 1 calc R B . C28 C 0.4199(8) 0.1738(9) -0.0005(6) 0.034(3) Uani 1 1 d . B . H28A H 0.4605 0.1569 -0.0448 0.040 Uiso 1 1 calc R . . C29 C 0.3816(9) 0.2725(9) -0.0014(6) 0.036(3) Uani 1 1 d . . . H29A H 0.3953 0.3234 -0.0464 0.044 Uiso 1 1 calc R B . C30 C 0.3233(8) 0.2972(7) 0.0632(5) 0.0199(19) Uani 1 1 d U B . H30A H 0.2987 0.3651 0.0631 0.024 Uiso 1 1 calc R . . C31 C 0.1371(8) 0.1616(7) 0.2526(5) 0.0221(19) Uani 1 1 d . . . H31A H 0.0796 0.1633 0.2096 0.033 Uiso 1 1 calc R B . H31B H 0.0924 0.1768 0.2981 0.033 Uiso 1 1 calc R . . H31C H 0.1901 0.0953 0.2702 0.033 Uiso 1 1 calc R . . C32 C 0.1186(8) 0.3684(7) 0.1763(6) 0.0215(19) Uani 1 1 d . . . H32A H 0.0625 0.3596 0.1368 0.032 Uiso 1 1 calc R B . H32B H 0.1607 0.4211 0.1505 0.032 Uiso 1 1 calc R . . H32C H 0.0730 0.3868 0.2204 0.032 Uiso 1 1 calc 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 Pt1 0.00577(17) 0.00940(18) 0.00382(18) 0.00157(13) -0.00175(12) 0.00095(12) N1 0.010(3) 0.010(3) 0.009(3) 0.000(3) -0.003(3) 0.001(3) Se1 0.0117(4) 0.0071(4) 0.0087(4) 0.0007(3) 0.0019(3) 0.0000(3) N2 0.010(3) 0.006(3) 0.009(3) -0.001(3) 0.000(3) 0.000(2) Se2 0.0120(4) 0.0072(4) 0.0091(4) 0.0016(3) 0.0012(3) 0.0003(3) Pt2 0.00605(17) 0.00835(18) 0.00533(18) 0.00009(12) -0.00084(12) -0.00054(12) P1 0.0067(9) 0.0141(10) 0.0059(10) 0.0013(8) -0.0010(7) 0.0019(8) C1 0.007(3) 0.019(4) 0.009(4) -0.002(3) 0.002(3) 0.003(3) C2 0.017(4) 0.018(4) 0.015(4) 0.008(4) -0.003(3) 0.004(3) C3 0.017(4) 0.027(5) 0.016(5) 0.007(4) 0.002(3) 0.004(4) C4 0.015(4) 0.052(7) 0.015(5) -0.004(5) -0.001(4) -0.003(4) C5 0.020(4) 0.037(6) 0.009(4) -0.008(4) -0.005(3) 0.003(4) C6 0.019(4) 0.017(4) 0.016(4) -0.007(4) -0.001(3) -0.001(3) C7 0.013(4) 0.017(4) 0.015(4) 0.004(3) 0.000(3) 0.010(3) C8 0.013(4) 0.033(5) 0.019(5) -0.004(4) 0.005(3) -0.008(4) P2 0.0079(9) 0.0186(11) 0.0094(10) -0.0024(9) 0.0002(8) -0.0024(8) C9 0.012(4) 0.026(5) 0.010(4) -0.003(4) 0.001(3) -0.008(3) C10 0.031(5) 0.024(5) 0.017(5) 0.014(4) -0.007(4) -0.012(4) C11 0.051(7) 0.092(11) 0.006(5) 0.010(6) -0.009(5) -0.047(7) C12 0.046(7) 0.102(12) 0.026(6) -0.029(7) 0.018(5) -0.052(8) C13 0.019(5) 0.086(10) 0.070(9) -0.066(9) 0.021(6) -0.018(6) C14 0.013(4) 0.042(6) 0.050(7) -0.033(5) 0.004(4) 0.002(4) C15 0.013(4) 0.039(6) 0.025(5) -0.009(4) -0.002(4) 0.006(4) C16 0.026(5) 0.032(5) 0.029(5) -0.012(4) 0.012(4) -0.017(4) Pt3 0.00573(17) 0.00813(18) 0.00464(18) 0.00095(12) -0.00333(12) 0.00019(12) N3 0.007(3) 0.006(3) 0.016(4) -0.003(3) -0.002(3) 0.000(2) Se3 0.0119(4) 0.0072(4) 0.0104(4) -0.0009(3) -0.0075(3) 0.0029(3) N4 0.011(3) 0.011(3) 0.012(3) -0.004(3) -0.004(3) 0.004(3) Se4 0.0126(4) 0.0065(4) 0.0118(4) 0.0005(3) -0.0078(3) 0.0012(3) Pt4 0.00535(17) 0.00896(18) 0.00597(18) -0.00104(13) -0.00381(12) 0.00243(12) P3 0.0069(9) 0.0157(10) 0.0080(10) -0.0009(8) -0.0037(7) -0.0008(8) C17 0.009(3) 0.019(3) 0.006(3) -0.003(3) -0.006(2) -0.001(3) C18 0.014(4) 0.013(4) 0.016(4) 0.007(3) -0.008(3) 0.003(3) C19 0.019(4) 0.031(5) 0.016(5) 0.008(4) -0.004(4) -0.009(4) C20 0.018(4) 0.055(7) 0.009(4) 0.003(4) 0.002(3) -0.022(4) C21 0.029(5) 0.041(6) 0.020(5) -0.018(5) 0.006(4) -0.002(5) C22 0.028(5) 0.016(4) 0.013(4) -0.004(4) -0.004(4) -0.001(4) C23 0.007(4) 0.039(6) 0.020(5) -0.006(4) -0.002(3) 0.005(4) C24 0.019(4) 0.026(5) 0.022(5) -0.002(4) -0.001(4) -0.007(4) P4 0.0061(9) 0.0146(10) 0.0082(10) -0.0017(8) -0.0048(7) 0.0021(8) C25 0.009(4) 0.016(4) 0.007(4) 0.003(3) -0.005(3) 0.002(3) C26 0.014(4) 0.022(5) 0.035(6) -0.020(4) -0.003(4) -0.001(3) C27 0.021(5) 0.047(6) 0.029(6) -0.026(5) -0.002(4) -0.004(4) C28 0.017(5) 0.056(7) 0.029(6) -0.023(5) -0.011(4) 0.004(4) C29 0.027(5) 0.059(8) 0.012(5) 0.003(5) -0.005(4) -0.002(5) C30 0.015(3) 0.023(4) 0.013(3) 0.004(3) -0.004(3) 0.004(3) C31 0.023(5) 0.025(5) 0.017(5) 0.000(4) -0.005(4) -0.010(4) C32 0.011(4) 0.025(5) 0.020(5) 0.000(4) -0.008(3) 0.006(3) _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 Pt1 N1 2.034(7) . ? Pt1 P1 2.239(2) . ? Pt1 Cl2 2.345(3) . ? Pt1 Cl1 2.354(3) . ? Pt1 Br1 2.4008(16) . ? Pt1 Br2 2.4243(16) . ? N1 Se2 1.798(6) . ? N1 Se1 1.808(7) . ? Se1 N2 1.797(6) . ? Se1 Se2 2.7091(12) . ? N2 Se2 1.806(6) . ? N2 Pt2 2.037(6) . ? Pt2 P2 2.232(2) . ? Pt2 Cl4 2.345(3) . ? Pt2 Cl3 2.352(3) . ? Pt2 Br3 2.3957(17) . ? Pt2 Br4 2.3990(17) . ? P1 C8 1.806(9) . ? P1 C7 1.810(8) . ? P1 C1 1.813(8) . ? C1 C2 1.395(11) . ? C1 C6 1.404(12) . ? C2 C3 1.407(13) . ? C2 H2A 0.9500 . ? C3 C4 1.363(15) . ? C3 H3A 0.9500 . ? C4 C5 1.364(14) . ? C4 H4A 0.9500 . ? C5 C6 1.387(12) . ? C5 H5A 0.9500 . ? C6 H6A 0.9500 . ? C7 H7A 0.9800 . ? C7 H7B 0.9800 . ? C7 H7C 0.9800 . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? P2 C9 1.804(9) . ? P2 C15 1.807(9) . ? P2 C16 1.811(9) . ? C9 C14 1.399(13) . ? C9 C10 1.410(12) . ? C10 C11 1.381(15) . ? C10 H10A 0.9500 . ? C11 C12 1.350(19) . ? C11 H11A 0.9500 . ? C12 C13 1.407(19) . ? C12 H12A 0.9500 . ? C13 C14 1.395(15) . ? C13 H13A 0.9500 . ? C14 H14A 0.9500 . ? C15 H15A 0.9800 . ? C15 H15B 0.9800 . ? C15 H15C 0.9800 . ? C16 H16A 0.9800 . ? C16 H16B 0.9800 . ? C16 H16C 0.9800 . ? Pt3 N3 2.047(7) . ? Pt3 P3 2.236(2) . ? Pt3 Cl6 2.343(3) . ? Pt3 Cl5 2.355(3) . ? Pt3 Br5 2.3939(16) . ? Pt3 Br6 2.3972(17) . ? N3 Se4 1.796(6) . ? N3 Se3 1.796(6) . ? Se3 N4 1.801(7) . ? Se3 Se4 2.7075(12) . ? N4 Se4 1.810(7) . ? N4 Pt4 2.032(7) . ? Pt4 P4 2.235(2) . ? Pt4 Cl7 2.356(3) . ? Pt4 Cl8 2.359(3) . ? Pt4 Br7 2.3849(17) . ? Pt4 Br8 2.4193(15) . ? P3 C23 1.804(8) . ? P3 C24 1.806(9) . ? P3 C17 1.810(8) . ? C17 C22 1.397(11) . ? C17 C18 1.406(11) . ? C18 C19 1.388(13) . ? C18 H18A 0.9500 . ? C19 C20 1.371(15) . ? C19 H19A 0.9500 . ? C20 C21 1.379(15) . ? C20 H20A 0.9500 . ? C21 C22 1.400(13) . ? C21 H21A 0.9500 . ? C22 H22A 0.9500 . ? C23 H23A 0.9800 . ? C23 H23B 0.9800 . ? C23 H23C 0.9800 . ? C24 H24A 0.9800 . ? C24 H24B 0.9800 . ? C24 H24C 0.9800 . ? P4 C32 1.805(8) . ? P4 C25 1.810(8) . ? P4 C31 1.815(9) . ? C25 C26 1.397(11) . ? C25 C30 1.417(12) . ? C26 C27 1.388(13) . ? C26 H26A 0.9500 . ? C27 C28 1.378(16) . ? C27 H27A 0.9500 . ? C28 C29 1.381(16) . ? C28 H28A 0.9500 . ? C29 C30 1.382(14) . ? C29 H29A 0.9500 . ? C30 H30A 0.9500 . ? C31 H31A 0.9800 . ? C31 H31B 0.9800 . ? C31 H31C 0.9800 . ? C32 H32A 0.9800 . ? C32 H32B 0.9800 . ? C32 H32C 0.9800 . ? 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 N1 Pt1 P1 178.23(19) . . ? N1 Pt1 Cl2 85.1(3) . . ? P1 Pt1 Cl2 93.13(19) . . ? N1 Pt1 Cl1 84.5(3) . . ? P1 Pt1 Cl1 97.26(19) . . ? Cl2 Pt1 Cl1 167.9(2) . . ? N1 Pt1 Br1 86.33(19) . . ? P1 Pt1 Br1 95.43(9) . . ? Cl2 Pt1 Br1 171.25(19) . . ? Cl1 Pt1 Br1 4.8(2) . . ? N1 Pt1 Br2 85.3(2) . . ? P1 Pt1 Br2 92.90(9) . . ? Cl2 Pt1 Br2 4.1(2) . . ? Cl1 Pt1 Br2 169.63(19) . . ? Br1 Pt1 Br2 171.35(10) . . ? Se2 N1 Se1 97.4(3) . . ? Se2 N1 Pt1 130.6(4) . . ? Se1 N1 Pt1 131.9(3) . . ? N2 Se1 N1 82.5(3) . . ? Se1 N2 Se2 97.5(3) . . ? Se1 N2 Pt2 132.1(3) . . ? Se2 N2 Pt2 130.1(3) . . ? N1 Se2 N2 82.6(3) . . ? N2 Pt2 P2 178.18(19) . . ? N2 Pt2 Cl4 88.3(3) . . ? P2 Pt2 Cl4 90.7(2) . . ? N2 Pt2 Cl3 86.8(3) . . ? P2 Pt2 Cl3 94.2(2) . . ? Cl4 Pt2 Cl3 174.4(3) . . ? N2 Pt2 Br3 85.12(19) . . ? P2 Pt2 Br3 95.93(10) . . ? Cl4 Pt2 Br3 173.2(2) . . ? Cl3 Pt2 Br3 4.7(2) . . ? N2 Pt2 Br4 84.87(19) . . ? P2 Pt2 Br4 94.07(10) . . ? Br3 Pt2 Br4 169.99(12) . . ? C8 P1 C7 104.0(4) . . ? C8 P1 C1 106.0(4) . . ? C7 P1 C1 106.4(4) . . ? C8 P1 Pt1 112.4(3) . . ? C7 P1 Pt1 115.4(3) . . ? C1 P1 Pt1 111.9(2) . . ? C2 C1 C6 119.5(8) . . ? C2 C1 P1 120.7(7) . . ? C6 C1 P1 119.7(6) . . ? C1 C2 C3 118.7(9) . . ? C1 C2 H2A 120.7 . . ? C3 C2 H2A 120.7 . . ? C4 C3 C2 120.8(9) . . ? C4 C3 H3A 119.6 . . ? C2 C3 H3A 119.6 . . ? C3 C4 C5 120.8(9) . . ? C3 C4 H4A 119.6 . . ? C5 C4 H4A 119.6 . . ? C4 C5 C6 120.4(9) . . ? C4 C5 H5A 119.8 . . ? C6 C5 H5A 119.8 . . ? C5 C6 C1 119.8(8) . . ? C5 C6 H6A 120.1 . . ? C1 C6 H6A 120.1 . . ? P1 C7 H7A 109.5 . . ? P1 C7 H7B 109.5 . . ? H7A C7 H7B 109.5 . . ? P1 C7 H7C 109.5 . . ? H7A C7 H7C 109.5 . . ? H7B C7 H7C 109.5 . . ? P1 C8 H8A 109.5 . . ? P1 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? P1 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C9 P2 C15 106.3(4) . . ? C9 P2 C16 106.4(4) . . ? C15 P2 C16 104.8(5) . . ? C9 P2 Pt2 110.0(3) . . ? C15 P2 Pt2 114.1(3) . . ? C16 P2 Pt2 114.6(3) . . ? C14 C9 C10 118.3(9) . . ? C14 C9 P2 121.4(7) . . ? C10 C9 P2 120.3(7) . . ? C11 C10 C9 120.8(11) . . ? C11 C10 H10A 119.6 . . ? C9 C10 H10A 119.6 . . ? C12 C11 C10 121.0(12) . . ? C12 C11 H11A 119.5 . . ? C10 C11 H11A 119.5 . . ? C11 C12 C13 119.9(11) . . ? C11 C12 H12A 120.0 . . ? C13 C12 H12A 120.0 . . ? C14 C13 C12 120.1(11) . . ? C14 C13 H13A 119.9 . . ? C12 C13 H13A 119.9 . . ? C13 C14 C9 119.9(11) . . ? C13 C14 H14A 120.1 . . ? C9 C14 H14A 120.1 . . ? P2 C15 H15A 109.5 . . ? P2 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? P2 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? P2 C16 H16A 109.5 . . ? P2 C16 H16B 109.5 . . ? H16A C16 H16B 109.5 . . ? P2 C16 H16C 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? N3 Pt3 P3 177.82(19) . . ? N3 Pt3 Cl6 85.3(3) . . ? P3 Pt3 Cl6 92.94(19) . . ? N3 Pt3 Cl5 86.1(2) . . ? P3 Pt3 Cl5 95.67(16) . . ? Cl6 Pt3 Cl5 171.3(2) . . ? N3 Pt3 Br5 85.76(19) . . ? P3 Pt3 Br5 95.90(8) . . ? Cl6 Pt3 Br5 170.00(19) . . ? Cl5 Pt3 Br5 5.88(17) . . ? N3 Pt3 Br6 85.37(19) . . ? P3 Pt3 Br6 92.99(9) . . ? Cl6 Pt3 Br6 5.5(2) . . ? Cl5 Pt3 Br6 169.05(16) . . ? Br5 Pt3 Br6 171.08(9) . . ? Se4 N3 Se3 97.8(3) . . ? Se4 N3 Pt3 129.9(3) . . ? Se3 N3 Pt3 132.2(3) . . ? N3 Se3 N4 82.6(3) . . ? Se3 N4 Se4 97.1(3) . . ? Se3 N4 Pt4 131.9(4) . . ? Se4 N4 Pt4 130.8(4) . . ? N3 Se4 N4 82.4(3) . . ? N4 Pt4 P4 179.3(2) . . ? N4 Pt4 Cl7 85.8(3) . . ? P4 Pt4 Cl7 94.87(19) . . ? N4 Pt4 Cl8 85.8(2) . . ? P4 Pt4 Cl8 93.60(15) . . ? Cl7 Pt4 Cl8 167.4(2) . . ? N4 Pt4 Br7 84.9(2) . . ? P4 Pt4 Br7 95.77(9) . . ? N4 Pt4 Br8 85.8(2) . . ? P4 Pt4 Br8 93.59(8) . . ? Br7 Pt4 Br8 170.38(9) . . ? C23 P3 C24 105.1(5) . . ? C23 P3 C17 105.7(4) . . ? C24 P3 C17 106.7(4) . . ? C23 P3 Pt3 112.8(3) . . ? C24 P3 Pt3 115.4(3) . . ? C17 P3 Pt3 110.6(3) . . ? C22 C17 C18 118.2(8) . . ? C22 C17 P3 120.4(7) . . ? C18 C17 P3 121.3(6) . . ? C19 C18 C17 120.6(8) . . ? C19 C18 H18A 119.7 . . ? C17 C18 H18A 119.7 . . ? C20 C19 C18 120.3(9) . . ? C20 C19 H19A 119.8 . . ? C18 C19 H19A 119.8 . . ? C19 C20 C21 120.5(8) . . ? C19 C20 H20A 119.8 . . ? C21 C20 H20A 119.8 . . ? C20 C21 C22 120.0(9) . . ? C20 C21 H21A 120.0 . . ? C22 C21 H21A 120.0 . . ? C17 C22 C21 120.4(9) . . ? C17 C22 H22A 119.8 . . ? C21 C22 H22A 119.8 . . ? P3 C23 H23A 109.5 . . ? P3 C23 H23B 109.5 . . ? H23A C23 H23B 109.5 . . ? P3 C23 H23C 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? P3 C24 H24A 109.5 . . ? P3 C24 H24B 109.5 . . ? H24A C24 H24B 109.5 . . ? P3 C24 H24C 109.5 . . ? H24A C24 H24C 109.5 . . ? H24B C24 H24C 109.5 . . ? C32 P4 C25 106.1(4) . . ? C32 P4 C31 104.3(4) . . ? C25 P4 C31 105.5(4) . . ? C32 P4 Pt4 114.6(3) . . ? C25 P4 Pt4 111.7(3) . . ? C31 P4 Pt4 113.9(3) . . ? C26 C25 C30 119.0(8) . . ? C26 C25 P4 120.4(7) . . ? C30 C25 P4 120.4(6) . . ? C27 C26 C25 119.4(9) . . ? C27 C26 H26A 120.3 . . ? C25 C26 H26A 120.3 . . ? C28 C27 C26 121.0(10) . . ? C28 C27 H27A 119.5 . . ? C26 C27 H27A 119.5 . . ? C27 C28 C29 120.4(9) . . ? C27 C28 H28A 119.8 . . ? C29 C28 H28A 119.8 . . ? C28 C29 C30 119.9(10) . . ? C28 C29 H29A 120.1 . . ? C30 C29 H29A 120.1 . . ? C29 C30 C25 120.3(9) . . ? C29 C30 H30A 119.9 . . ? C25 C30 H30A 119.9 . . ? P4 C31 H31A 109.5 . . ? P4 C31 H31B 109.5 . . ? H31A C31 H31B 109.5 . . ? P4 C31 H31C 109.5 . . ? H31A C31 H31C 109.5 . . ? H31B C31 H31C 109.5 . . ? P4 C32 H32A 109.5 . . ? P4 C32 H32B 109.5 . . ? H32A C32 H32B 109.5 . . ? P4 C32 H32C 109.5 . . ? H32A C32 H32C 109.5 . . ? H32B C32 H32C 109.5 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag Cl2 Pt1 N1 Se2 10.2(4) . . . . ? Cl1 Pt1 N1 Se2 -176.0(5) . . . . ? Br1 Pt1 N1 Se2 -171.6(4) . . . . ? Br2 Pt1 N1 Se2 6.1(4) . . . . ? Cl2 Pt1 N1 Se1 -175.4(5) . . . . ? Cl1 Pt1 N1 Se1 -1.6(5) . . . . ? Br1 Pt1 N1 Se1 2.8(4) . . . . ? Br2 Pt1 N1 Se1 -179.5(5) . . . . ? Se2 N1 Se1 N2 -0.1(3) . . . . ? Pt1 N1 Se1 N2 -175.7(5) . . . . ? N1 Se1 N2 Se2 0.1(3) . . . . ? N1 Se1 N2 Pt2 -174.3(5) . . . . ? Se2 Se1 N2 Pt2 -174.4(7) . . . . ? Se1 N1 Se2 N2 0.1(3) . . . . ? Pt1 N1 Se2 N2 175.8(5) . . . . ? Pt1 N1 Se2 Se1 175.8(6) . . . . ? Se1 N2 Se2 N1 -0.1(3) . . . . ? Pt2 N2 Se2 N1 174.5(5) . . . . ? Pt2 N2 Se2 Se1 174.6(6) . . . . ? Se1 N2 Pt2 Cl4 173.8(5) . . . . ? Se2 N2 Pt2 Cl4 1.1(5) . . . . ? Se1 N2 Pt2 Cl3 -8.8(5) . . . . ? Se2 N2 Pt2 Cl3 178.5(5) . . . . ? Se1 N2 Pt2 Br3 -4.4(4) . . . . ? Se2 N2 Pt2 Br3 -177.2(4) . . . . ? Se1 N2 Pt2 Br4 175.2(5) . . . . ? Se2 N2 Pt2 Br4 2.4(4) . . . . ? Cl2 Pt1 P1 C8 -51.9(4) . . . . ? Cl1 Pt1 P1 C8 134.3(4) . . . . ? Br1 Pt1 P1 C8 129.9(3) . . . . ? Br2 Pt1 P1 C8 -47.8(3) . . . . ? Cl2 Pt1 P1 C7 -171.0(4) . . . . ? Cl1 Pt1 P1 C7 15.3(4) . . . . ? Br1 Pt1 P1 C7 10.8(3) . . . . ? Br2 Pt1 P1 C7 -166.8(3) . . . . ? Cl2 Pt1 P1 C1 67.3(3) . . . . ? Cl1 Pt1 P1 C1 -106.5(3) . . . . ? Br1 Pt1 P1 C1 -110.9(3) . . . . ? Br2 Pt1 P1 C1 71.4(3) . . . . ? C8 P1 C1 C2 37.3(7) . . . . ? C7 P1 C1 C2 147.6(7) . . . . ? Pt1 P1 C1 C2 -85.6(7) . . . . ? C8 P1 C1 C6 -147.2(6) . . . . ? C7 P1 C1 C6 -36.9(7) . . . . ? Pt1 P1 C1 C6 89.9(6) . . . . ? C6 C1 C2 C3 0.5(12) . . . . ? P1 C1 C2 C3 176.0(6) . . . . ? C1 C2 C3 C4 1.2(13) . . . . ? C2 C3 C4 C5 -1.1(14) . . . . ? C3 C4 C5 C6 -0.7(14) . . . . ? C4 C5 C6 C1 2.3(13) . . . . ? C2 C1 C6 C5 -2.2(12) . . . . ? P1 C1 C6 C5 -177.8(6) . . . . ? Cl4 Pt2 P2 C9 80.4(4) . . . . ? Cl3 Pt2 P2 C9 -96.8(4) . . . . ? Br3 Pt2 P2 C9 -101.2(3) . . . . ? Br4 Pt2 P2 C9 79.0(3) . . . . ? Cl4 Pt2 P2 C15 -38.8(5) . . . . ? Cl3 Pt2 P2 C15 143.9(4) . . . . ? Br3 Pt2 P2 C15 139.6(4) . . . . ? Br4 Pt2 P2 C15 -40.3(4) . . . . ? Cl4 Pt2 P2 C16 -159.7(5) . . . . ? Cl3 Pt2 P2 C16 23.0(4) . . . . ? Br3 Pt2 P2 C16 18.7(4) . . . . ? Br4 Pt2 P2 C16 -161.1(4) . . . . ? C15 P2 C9 C14 28.5(8) . . . . ? C16 P2 C9 C14 139.8(7) . . . . ? Pt2 P2 C9 C14 -95.5(7) . . . . ? C15 P2 C9 C10 -154.2(7) . . . . ? C16 P2 C9 C10 -42.9(8) . . . . ? Pt2 P2 C9 C10 81.9(7) . . . . ? C14 C9 C10 C11 -1.2(14) . . . . ? P2 C9 C10 C11 -178.6(8) . . . . ? C9 C10 C11 C12 1.8(16) . . . . ? C10 C11 C12 C13 -1.1(17) . . . . ? C11 C12 C13 C14 0.0(16) . . . . ? C12 C13 C14 C9 0.6(15) . . . . ? C10 C9 C14 C13 0.0(13) . . . . ? P2 C9 C14 C13 177.4(7) . . . . ? Cl6 Pt3 N3 Se4 -8.6(4) . . . . ? Cl5 Pt3 N3 Se4 170.0(5) . . . . ? Br5 Pt3 N3 Se4 175.9(4) . . . . ? Br6 Pt3 N3 Se4 -3.1(4) . . . . ? Cl6 Pt3 N3 Se3 175.8(5) . . . . ? Cl5 Pt3 N3 Se3 -5.6(5) . . . . ? Br5 Pt3 N3 Se3 0.3(4) . . . . ? Br6 Pt3 N3 Se3 -178.7(5) . . . . ? Se4 N3 Se3 N4 -0.5(3) . . . . ? Pt3 N3 Se3 N4 176.1(5) . . . . ? N3 Se3 N4 Se4 0.5(3) . . . . ? N3 Se3 N4 Pt4 176.1(6) . . . . ? Se4 Se3 N4 Pt4 175.7(7) . . . . ? Se3 N3 Se4 N4 0.5(3) . . . . ? Pt3 N3 Se4 N4 -176.3(5) . . . . ? Pt3 N3 Se4 Se3 -176.7(6) . . . . ? Se3 N4 Se4 N3 -0.5(3) . . . . ? Pt4 N4 Se4 N3 -176.2(5) . . . . ? Se3 N4 Pt4 Cl7 7.8(5) . . . . ? Se4 N4 Pt4 Cl7 -177.9(5) . . . . ? Se3 N4 Pt4 Cl8 178.5(5) . . . . ? Se4 N4 Pt4 Cl8 -7.2(4) . . . . ? Se3 N4 Pt4 Br7 1.9(5) . . . . ? Se4 N4 Pt4 Br7 176.2(5) . . . . ? Se3 N4 Pt4 Br8 -175.9(5) . . . . ? Se4 N4 Pt4 Br8 -1.6(4) . . . . ? Cl6 Pt3 P3 C23 48.1(4) . . . . ? Cl5 Pt3 P3 C23 -130.7(4) . . . . ? Br5 Pt3 P3 C23 -136.6(4) . . . . ? Br6 Pt3 P3 C23 42.6(4) . . . . ? Cl6 Pt3 P3 C24 168.9(4) . . . . ? Cl5 Pt3 P3 C24 -9.9(4) . . . . ? Br5 Pt3 P3 C24 -15.8(3) . . . . ? Br6 Pt3 P3 C24 163.4(3) . . . . ? Cl6 Pt3 P3 C17 -70.0(3) . . . . ? Cl5 Pt3 P3 C17 111.2(3) . . . . ? Br5 Pt3 P3 C17 105.3(3) . . . . ? Br6 Pt3 P3 C17 -75.5(3) . . . . ? C23 P3 C17 C22 146.4(7) . . . . ? C24 P3 C17 C22 35.0(8) . . . . ? Pt3 P3 C17 C22 -91.2(7) . . . . ? C23 P3 C17 C18 -35.5(8) . . . . ? C24 P3 C17 C18 -147.0(7) . . . . ? Pt3 P3 C17 C18 86.8(6) . . . . ? C22 C17 C18 C19 0.0(12) . . . . ? P3 C17 C18 C19 -178.1(6) . . . . ? C17 C18 C19 C20 -0.1(13) . . . . ? C18 C19 C20 C21 0.1(14) . . . . ? C19 C20 C21 C22 0.1(15) . . . . ? C18 C17 C22 C21 0.2(13) . . . . ? P3 C17 C22 C21 178.3(7) . . . . ? C20 C21 C22 C17 -0.2(14) . . . . ? Cl7 Pt4 P4 C32 -20.2(4) . . . . ? Cl8 Pt4 P4 C32 169.2(4) . . . . ? Br7 Pt4 P4 C32 -14.3(3) . . . . ? Br8 Pt4 P4 C32 163.5(3) . . . . ? Cl7 Pt4 P4 C25 100.5(3) . . . . ? Cl8 Pt4 P4 C25 -70.2(3) . . . . ? Br7 Pt4 P4 C25 106.3(3) . . . . ? Br8 Pt4 P4 C25 -75.9(3) . . . . ? Cl7 Pt4 P4 C31 -140.2(4) . . . . ? Cl8 Pt4 P4 C31 49.1(4) . . . . ? Br7 Pt4 P4 C31 -134.3(4) . . . . ? Br8 Pt4 P4 C31 43.5(4) . . . . ? C32 P4 C25 C26 -147.9(7) . . . . ? C31 P4 C25 C26 -37.6(7) . . . . ? Pt4 P4 C25 C26 86.7(7) . . . . ? C32 P4 C25 C30 36.3(8) . . . . ? C31 P4 C25 C30 146.6(7) . . . . ? Pt4 P4 C25 C30 -89.1(6) . . . . ? C30 C25 C26 C27 -1.9(12) . . . . ? P4 C25 C26 C27 -177.7(7) . . . . ? C25 C26 C27 C28 0.9(13) . . . . ? C26 C27 C28 C29 -0.2(15) . . . . ? C27 C28 C29 C30 0.5(15) . . . . ? C28 C29 C30 C25 -1.5(14) . . . . ? C26 C25 C30 C29 2.2(13) . . . . ? P4 C25 C30 C29 178.0(7) . . . . ? _diffrn_measured_fraction_theta_max 0.962 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.962 _refine_diff_density_max 3.627 _refine_diff_density_min -3.587 _refine_diff_density_rms 0.429