# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 186/1434 
data_mj004b 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C28 H42 N2 O4 Pt Se Sn' 
_chemical_formula_weight          863.38 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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' 
 'O'  'O'   0.0106   0.0060 
 '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' 
 'Sn'  'Sn'  -0.6537   1.4246 
 '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' 
 
_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    Pca2(1) 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, z+1/2' 
 'x+1/2, -y, z' 
 '-x+1/2, y, z+1/2' 
 
_cell_length_a                    30.899(6) 
_cell_length_b                    12.156(2) 
_cell_length_c                    17.311(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      6502.1(23) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.25 
_exptl_crystal_size_mid           0.17 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.764 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              3344 
_exptl_absorpt_coefficient_mu     6.218 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Nonius Kappa CCD' 
_diffrn_measurement_method        'phi/omega scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             6852 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0368 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        38 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          4.10 
_diffrn_reflns_theta_max          26.37 
_reflns_number_total              6852 
_reflns_number_observed           6137 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        'Nonius COLLECT' 
_computing_cell_refinement        'Nonius DENZO' 
_computing_data_reduction         'Nonius DENZO' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL 5.0' 
_computing_publication_material   'Siemens SHELXTL 5.0' 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 0 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0411P)^2^+0.0000P] 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     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.492(11) 
_refine_ls_number_reflns          6852 
_refine_ls_number_parameters      692 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0366 
_refine_ls_R_factor_obs           0.0293 
_refine_ls_wR_factor_all          0.0651 
_refine_ls_wR_factor_obs          0.0630 
_refine_ls_goodness_of_fit_all    1.045 
_refine_ls_goodness_of_fit_obs    1.075 
_refine_ls_restrained_S_all       1.045 
_refine_ls_restrained_S_obs       1.075 
_refine_ls_shift/esd_max          -0.002 
_refine_ls_shift/esd_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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Pt1 Pt 0.879393(9) 0.80337(2) 0.65300(3) 0.02072(7) Uani 1 d . . 
C1 C 0.9191(3) 0.7664(7) 0.5609(6) 0.032(2) Uani 1 d . . 
H1A H 0.9483(5) 0.7947(43) 0.5709(16) 0.048 Uiso 1 calc R . 
H1B H 0.9075(10) 0.8004(40) 0.5139(8) 0.048 Uiso 1 calc R . 
H1C H 0.9204(16) 0.6864(7) 0.5541(22) 0.048 Uiso 1 calc R . 
C2 C 0.8514(3) 0.9291(6) 0.5874(5) 0.033(2) Uani 1 d . . 
H2A H 0.8731(6) 0.9858(24) 0.5768(29) 0.050 Uiso 1 calc R . 
H2B H 0.8273(12) 0.9616(32) 0.6162(15) 0.050 Uiso 1 calc R . 
H2C H 0.8407(17) 0.8988(11) 0.5386(16) 0.050 Uiso 1 calc R . 
Sn1 Sn 0.83145(2) 0.65945(4) 0.58747(4) 0.02179(13) Uani 1 d . . 
C3 C 0.8318(3) 0.6674(7) 0.4639(5) 0.037(2) Uani 1 d . . 
H3A H 0.8042(8) 0.6398(47) 0.4439(5) 0.056 Uiso 1 calc R . 
H3B H 0.8555(12) 0.6222(41) 0.4437(5) 0.056 Uiso 1 calc R . 
H3C H 0.8358(20) 0.7439(10) 0.4474(5) 0.056 Uiso 1 calc R . 
C4 C 0.7648(3) 0.6427(7) 0.6205(5) 0.028(2) Uani 1 d . . 
H4A H 0.7504(5) 0.5907(34) 0.5857(20) 0.043 Uiso 1 calc R . 
H4B H 0.7504(5) 0.7145(11) 0.6172(30) 0.043 Uiso 1 calc R . 
H4C H 0.7631(3) 0.6153(41) 0.6736(12) 0.043 Uiso 1 calc R . 
C5 C 0.8415(4) 0.2138(7) 0.6060(8) 0.063(4) Uani 1 d . . 
H5A H 0.8521(22) 0.1537(11) 0.6386(31) 0.094 Uiso 1 calc R . 
H5B H 0.8505(22) 0.2011(34) 0.5524(18) 0.094 Uiso 1 calc R . 
H5C H 0.8099(5) 0.2169(26) 0.6086(46) 0.094 Uiso 1 calc R . 
O5 O 0.8595(2) 0.3175(5) 0.6330(4) 0.047(2) Uani 1 d . . 
C6 C 0.8454(3) 0.4093(6) 0.5983(5) 0.027(2) Uani 1 d . . 
O6 O 0.8184(2) 0.4041(5) 0.5469(4) 0.046(2) Uani 1 d . . 
C7 C 0.8633(3) 0.5130(6) 0.6279(5) 0.024(2) Uani 1 d . . 
C8 C 0.8940(3) 0.5189(7) 0.6822(4) 0.020(2) Uani 1 d . . 
C9 C 0.9181(3) 0.4217(7) 0.7149(5) 0.027(2) Uani 1 d . . 
O9 O 0.9144(2) 0.3861(5) 0.7785(3) 0.0290(14) Uani 1 d . . 
C10 C 0.9699(4) 0.2856(9) 0.6845(6) 0.056(3) Uani 1 d . . 
H10A H 0.9895(18) 0.2649(36) 0.6424(18) 0.084 Uiso 1 calc R . 
H10B H 0.9497(4) 0.2252(19) 0.6945(41) 0.084 Uiso 1 calc R . 
H10C H 0.9868(19) 0.3008(20) 0.7312(25) 0.084 Uiso 1 calc R . 
O10 O 0.9462(2) 0.3820(5) 0.6630(4) 0.0347(14) Uani 1 d . . 
Se1 Se 0.91430(3) 0.65000(6) 0.72970(5) 0.0249(2) Uani 1 d . . 
N1 N 0.8439(2) 0.8576(5) 0.7524(4) 0.0213(15) Uani 1 d . . 
N2 N 0.9239(2) 0.9201(5) 0.7143(4) 0.024(2) Uani 1 d . . 
C11 C 0.8020(3) 0.8368(6) 0.7642(5) 0.024(2) Uani 1 d . . 
H11A H 0.7868(3) 0.7956(6) 0.7263(5) 0.029 Uiso 1 calc R . 
C12 C 0.7795(3) 0.8721(6) 0.8285(5) 0.030(2) Uani 1 d . . 
H12A H 0.7499(3) 0.8535(6) 0.8350(5) 0.036 Uiso 1 calc R . 
C13 C 0.8010(3) 0.9358(6) 0.8844(5) 0.023(2) Uani 1 d . . 
C14 C 0.8443(3) 0.9585(6) 0.8709(5) 0.023(2) Uani 1 d . . 
H14A H 0.8600(3) 1.0016(6) 0.9070(5) 0.027 Uiso 1 calc R . 
C15 C 0.8649(3) 0.9193(6) 0.8051(4) 0.023(2) Uani 1 d . . 
C16 C 0.9105(3) 0.9480(6) 0.7863(5) 0.024(2) Uani 1 d . . 
C17 C 0.9377(3) 1.0031(6) 0.8372(5) 0.025(2) Uani 1 d . . 
H17A H 0.9280(3) 1.0195(6) 0.8880(5) 0.030 Uiso 1 calc R . 
C18 C 0.9791(3) 1.0344(6) 0.8142(5) 0.024(2) Uani 1 d . . 
C19 C 0.9918(3) 1.0093(6) 0.7386(5) 0.028(2) Uani 1 d . . 
H19A H 1.0193(3) 1.0315(6) 0.7199(5) 0.034 Uiso 1 calc R . 
C20 C 0.9637(3) 0.9517(6) 0.6918(5) 0.027(2) Uani 1 d . . 
H20A H 0.9730(3) 0.9334(6) 0.6410(5) 0.032 Uiso 1 calc R . 
C21 C 0.7770(3) 0.9762(6) 0.9558(5) 0.024(2) Uani 1 d . . 
C22 C 0.7345(3) 1.0302(7) 0.9320(5) 0.037(2) Uani 1 d . . 
H22A H 0.7183(9) 0.9802(21) 0.8983(28) 0.056 Uiso 1 calc R . 
H22B H 0.7406(3) 1.0987(26) 0.9042(30) 0.056 Uiso 1 calc R . 
H22C H 0.7173(9) 1.0465(44) 0.9782(6) 0.056 Uiso 1 calc R . 
C23 C 0.7668(3) 0.8775(7) 1.0086(6) 0.042(2) Uani 1 d . . 
H23A H 0.7473(17) 0.8267(28) 0.9818(15) 0.062 Uiso 1 calc R . 
H23B H 0.7529(20) 0.9037(9) 1.0561(18) 0.062 Uiso 1 calc R . 
H23C H 0.7937(4) 0.8392(33) 1.0217(31) 0.062 Uiso 1 calc R . 
C24 C 0.8040(3) 1.0593(8) 1.0015(5) 0.041(2) Uani 1 d . . 
H24A H 0.8296(11) 1.0225(14) 1.0228(31) 0.061 Uiso 1 calc R . 
H24B H 0.7866(7) 1.0895(39) 1.0438(23) 0.061 Uiso 1 calc R . 
H24C H 0.8132(17) 1.1191(28) 0.9672(10) 0.061 Uiso 1 calc R . 
C25 C 1.0102(3) 1.0889(6) 0.8723(5) 0.026(2) Uani 1 d . . 
C26 C 1.0193(3) 1.0062(7) 0.9379(5) 0.032(2) Uani 1 d . . 
H26A H 1.0318(17) 0.9388(19) 0.9161(6) 0.048 Uiso 1 calc R . 
H26B H 0.9922(4) 0.9885(35) 0.9645(21) 0.048 Uiso 1 calc R . 
H26C H 1.0397(14) 1.0387(19) 0.9747(18) 0.048 Uiso 1 calc R . 
C27 C 0.9885(3) 1.1927(7) 0.9053(5) 0.034(2) Uani 1 d . . 
H27A H 0.9622(11) 1.1719(8) 0.9333(30) 0.050 Uiso 1 calc R . 
H27B H 0.9810(18) 1.2427(23) 0.8630(6) 0.050 Uiso 1 calc R . 
H27C H 1.0085(8) 1.2297(28) 0.9407(27) 0.050 Uiso 1 calc R . 
C28 C 1.0525(3) 1.1229(7) 0.8343(5) 0.036(2) Uani 1 d . . 
H28A H 1.0660(10) 1.0585(12) 0.8101(30) 0.054 Uiso 1 calc R . 
H28B H 1.0721(8) 1.1532(47) 0.8735(8) 0.054 Uiso 1 calc R . 
H28C H 1.0468(4) 1.1788(37) 0.7949(25) 0.054 Uiso 1 calc R . 
Pt2 Pt 0.605064(9) 0.26966(2) 0.65404(3) 0.01987(7) Uani 1 d . . 
C31 C 0.5610(3) 0.2248(6) 0.7365(5) 0.025(2) Uani 1 d . . 
H31A H 0.5652(11) 0.2697(30) 0.7829(12) 0.038 Uiso 1 calc R . 
H31B H 0.5650(11) 0.1470(13) 0.7495(22) 0.038 Uiso 1 calc R . 
H31C H 0.5316(3) 0.2362(40) 0.7166(12) 0.038 Uiso 1 calc R . 
C32 C 0.6249(3) 0.4030(6) 0.7199(5) 0.029(2) Uani 1 d . . 
H32A H 0.6532(9) 0.4284(29) 0.7017(21) 0.043 Uiso 1 calc R . 
H32B H 0.6271(17) 0.3809(13) 0.7742(7) 0.043 Uiso 1 calc R . 
H32C H 0.6038(10) 0.4627(17) 0.7149(25) 0.043 Uiso 1 calc R . 
Sn2 Sn 0.65275(2) 0.14311(4) 0.73597(4) 0.02023(12) Uani 1 d . . 
C33 C 0.6409(3) 0.1532(8) 0.8581(5) 0.033(2) Uani 1 d . . 
H33A H 0.6424(19) 0.0794(10) 0.8807(7) 0.050 Uiso 1 calc R . 
H33B H 0.6121(8) 0.1844(46) 0.8671(5) 0.050 Uiso 1 calc R . 
H33C H 0.6628(12) 0.2004(40) 0.8821(7) 0.050 Uiso 1 calc R . 
C34 C 0.7226(3) 0.1510(7) 0.7212(5) 0.029(2) Uani 1 d . . 
H34A H 0.7365(3) 0.1022(34) 0.7588(21) 0.043 Uiso 1 calc R . 
H34B H 0.7324(3) 0.2267(11) 0.7295(30) 0.043 Uiso 1 calc R . 
H34C H 0.7301(3) 0.1276(41) 0.6688(11) 0.043 Uiso 1 calc R . 
C35 C 0.6519(4) -0.3048(7) 0.7448(7) 0.058(3) Uani 1 d . . 
H35A H 0.6329(14) -0.3676(15) 0.7344(39) 0.088 Uiso 1 calc R . 
H35B H 0.6537(25) -0.2926(25) 0.8007(9) 0.088 Uiso 1 calc R . 
H35C H 0.6808(11) -0.3200(38) 0.7242(34) 0.088 Uiso 1 calc R . 
O35 O 0.6345(3) -0.2077(5) 0.7080(4) 0.048(2) Uani 1 d . . 
C36 C 0.6510(3) -0.1106(6) 0.7314(5) 0.026(2) Uani 1 d . . 
O36 O 0.6779(2) -0.1044(5) 0.7802(4) 0.047(2) Uani 1 d . . 
C37 C 0.6315(3) -0.0137(6) 0.6914(4) 0.021(2) Uani 1 d . . 
C38 C 0.6051(3) -0.0189(7) 0.6298(5) 0.023(2) Uani 1 d . . 
C39 C 0.5902(3) -0.1246(7) 0.5926(5) 0.027(2) Uani 1 d . . 
O39 O 0.5556(2) -0.1659(5) 0.6022(4) 0.046(2) Uani 1 d . . 
C40 C 0.6123(4) -0.2684(9) 0.5092(8) 0.069(4) Uani 1 d . . 
H40A H 0.6395(4) -0.3040(37) 0.4945(51) 0.104 Uiso 1 calc R . 
H40B H 0.5945(26) -0.2567(11) 0.4630(32) 0.104 Uiso 1 calc R . 
H40C H 0.5966(28) -0.3154(30) 0.5456(21) 0.104 Uiso 1 calc R . 
O40 O 0.6214(2) -0.1636(5) 0.5452(4) 0.041(2) Uani 1 d . . 
Se2 Se 0.58113(3) 0.10307(6) 0.57718(5) 0.0242(2) Uani 1 d . . 
N3 N 0.6456(2) 0.3324(5) 0.5628(4) 0.023(2) Uani 1 d . . 
N4 N 0.5615(2) 0.3712(5) 0.5808(4) 0.0244(15) Uani 1 d . . 
C41 C 0.6886(3) 0.3230(6) 0.5601(5) 0.025(2) Uani 1 d . . 
H41A H 0.7029(3) 0.2883(6) 0.6021(5) 0.030 Uiso 1 calc R . 
C42 C 0.7132(3) 0.3611(6) 0.4997(5) 0.026(2) Uani 1 d . . 
H42A H 0.7439(3) 0.3564(6) 0.5020(5) 0.031 Uiso 1 calc R . 
C43 C 0.6931(3) 0.4068(6) 0.4349(4) 0.022(2) Uani 1 d . . 
C44 C 0.6488(3) 0.4189(7) 0.4391(4) 0.026(2) Uani 1 d . . 
H44A H 0.6340(3) 0.4531(7) 0.3974(4) 0.031 Uiso 1 calc R . 
C45 C 0.6252(3) 0.3827(6) 0.5022(4) 0.020(2) Uani 1 d . . 
C46 C 0.5785(3) 0.4054(6) 0.5121(4) 0.022(2) Uani 1 d . . 
C47 C 0.5532(3) 0.4650(6) 0.4617(4) 0.023(2) Uani 1 d . . 
H47A H 0.5655(3) 0.4879(6) 0.4140(4) 0.027 Uiso 1 calc R . 
C48 C 0.5109(3) 0.4930(6) 0.4774(5) 0.023(2) Uani 1 d . . 
C49 C 0.4948(3) 0.4566(6) 0.5484(5) 0.028(2) Uani 1 d . . 
H49A H 0.4659(3) 0.4737(6) 0.5632(5) 0.033 Uiso 1 calc R . 
C50 C 0.5207(3) 0.3961(6) 0.5966(5) 0.027(2) Uani 1 d . . 
H50A H 0.5087(3) 0.3707(6) 0.6439(5) 0.033 Uiso 1 calc R . 
C51 C 0.7186(3) 0.4452(7) 0.3645(4) 0.026(2) Uani 1 d . . 
C52 C 0.6994(3) 0.3909(8) 0.2926(5) 0.038(2) Uani 1 d . . 
H52A H 0.7008(19) 0.3108(8) 0.2980(17) 0.057 Uiso 1 calc R . 
H52B H 0.7159(13) 0.4137(42) 0.2469(7) 0.057 Uiso 1 calc R . 
H52C H 0.6691(7) 0.4136(41) 0.2867(21) 0.057 Uiso 1 calc R . 
C53 C 0.7139(3) 0.5721(8) 0.3582(6) 0.045(3) Uani 1 d . . 
H53A H 0.6838(6) 0.5907(8) 0.3455(38) 0.068 Uiso 1 calc R . 
H53B H 0.7330(16) 0.5996(10) 0.3175(27) 0.068 Uiso 1 calc R . 
H53C H 0.7218(21) 0.6060(9) 0.4076(13) 0.068 Uiso 1 calc R . 
C54 C 0.7666(3) 0.4168(7) 0.3691(5) 0.031(2) Uani 1 d . . 
H54A H 0.7700(3) 0.3370(8) 0.3744(32) 0.047 Uiso 1 calc R . 
H54B H 0.7795(5) 0.4536(37) 0.4139(20) 0.047 Uiso 1 calc R . 
H54C H 0.7812(4) 0.4416(42) 0.3219(15) 0.047 Uiso 1 calc R . 
C55 C 0.4836(3) 0.5608(6) 0.4199(5) 0.027(2) Uani 1 d . . 
C56 C 0.4817(3) 0.5013(8) 0.3421(5) 0.033(2) Uani 1 d . . 
H56A H 0.4650(16) 0.5453(23) 0.3053(11) 0.050 Uiso 1 calc R . 
H56B H 0.4679(17) 0.4294(21) 0.3488(8) 0.050 Uiso 1 calc R . 
H56C H 0.5112(4) 0.4911(42) 0.3224(16) 0.050 Uiso 1 calc R . 
C57 C 0.4373(3) 0.5773(8) 0.4499(5) 0.040(2) Uani 1 d . . 
H57A H 0.4205(7) 0.6192(46) 0.4120(18) 0.060 Uiso 1 calc R . 
H57B H 0.4382(3) 0.6178(46) 0.4989(20) 0.060 Uiso 1 calc R . 
H57C H 0.4237(8) 0.5055(8) 0.4582(35) 0.060 Uiso 1 calc R . 
C58 C 0.5047(3) 0.6732(7) 0.4109(5) 0.037(2) Uani 1 d . . 
H58A H 0.4878(12) 0.7178(20) 0.3746(29) 0.056 Uiso 1 calc R . 
H58B H 0.5342(8) 0.6642(8) 0.3911(36) 0.056 Uiso 1 calc R . 
H58C H 0.5057(19) 0.7101(23) 0.4612(9) 0.056 Uiso 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 0.0227(2) 0.01782(13) 0.02161(14) -0.0034(2) 0.0007(2) -0.00121(11) 
C1 0.020(5) 0.025(4) 0.050(6) -0.012(4) 0.002(4) -0.009(4) 
C2 0.043(6) 0.023(4) 0.033(5) -0.007(4) -0.004(5) 0.001(4) 
Sn1 0.0256(3) 0.0176(3) 0.0221(3) -0.0012(2) -0.0047(2) 0.0000(2) 
C3 0.050(7) 0.032(5) 0.030(5) 0.005(4) -0.008(5) -0.006(4) 
C4 0.020(5) 0.031(4) 0.035(5) -0.003(4) -0.008(4) -0.004(4) 
C5 0.091(10) 0.019(5) 0.077(9) -0.014(5) -0.026(7) -0.011(5) 
O5 0.071(5) 0.015(3) 0.054(5) -0.004(3) -0.017(4) 0.001(3) 
C6 0.032(5) 0.021(4) 0.027(5) 0.002(4) 0.002(4) 0.004(4) 
O6 0.044(5) 0.037(4) 0.058(5) 0.002(3) -0.021(4) -0.003(3) 
C7 0.023(5) 0.021(4) 0.029(5) -0.002(3) -0.002(4) -0.006(4) 
C8 0.020(5) 0.024(4) 0.017(4) -0.002(3) 0.001(3) 0.002(4) 
C9 0.021(5) 0.034(5) 0.028(5) 0.001(4) 0.000(4) -0.003(4) 
O9 0.040(4) 0.027(3) 0.021(3) 0.005(3) 0.004(3) 0.007(3) 
C10 0.074(9) 0.060(7) 0.033(5) 0.007(5) 0.006(5) 0.048(6) 
O10 0.034(3) 0.041(3) 0.029(3) 0.009(3) 0.012(3) 0.023(3) 
Se1 0.0249(4) 0.0247(4) 0.0251(4) -0.0029(4) -0.0052(4) 0.0019(3) 
N1 0.015(3) 0.018(3) 0.031(4) -0.008(3) 0.008(3) 0.001(3) 
N2 0.020(4) 0.025(4) 0.027(4) -0.003(3) 0.012(3) 0.001(3) 
C11 0.023(5) 0.023(4) 0.026(4) -0.005(3) -0.004(4) -0.008(4) 
C12 0.026(5) 0.024(4) 0.040(5) 0.004(4) 0.005(4) -0.005(4) 
C13 0.018(5) 0.026(4) 0.024(4) 0.001(3) -0.004(3) 0.002(3) 
C14 0.028(5) 0.015(4) 0.026(4) 0.001(3) -0.006(4) -0.007(3) 
C15 0.030(5) 0.019(4) 0.020(4) -0.009(3) 0.002(4) -0.001(3) 
C16 0.026(5) 0.016(4) 0.031(5) -0.004(4) 0.004(4) 0.003(3) 
C17 0.026(5) 0.024(4) 0.026(4) -0.004(4) 0.000(4) -0.003(4) 
C18 0.019(4) 0.021(4) 0.031(5) -0.001(3) 0.004(4) -0.005(3) 
C19 0.029(5) 0.025(4) 0.030(5) -0.006(4) 0.005(4) -0.003(4) 
C20 0.032(5) 0.021(4) 0.027(4) 0.002(3) 0.010(4) 0.004(4) 
C21 0.018(4) 0.027(4) 0.027(4) -0.006(4) 0.001(4) 0.001(3) 
C22 0.043(6) 0.047(6) 0.022(5) -0.008(4) 0.002(4) 0.014(5) 
C23 0.035(6) 0.041(5) 0.049(6) 0.006(5) 0.014(5) 0.013(4) 
C24 0.027(5) 0.060(6) 0.035(5) -0.007(5) 0.005(4) -0.010(5) 
C25 0.026(5) 0.025(4) 0.028(5) -0.008(4) 0.004(4) -0.003(4) 
C26 0.028(5) 0.028(5) 0.039(5) -0.002(4) -0.013(4) 0.005(4) 
C27 0.042(6) 0.032(5) 0.028(5) -0.011(4) 0.003(4) -0.012(4) 
C28 0.032(5) 0.040(5) 0.035(5) -0.010(4) 0.000(4) -0.010(4) 
Pt2 0.01974(15) 0.01977(13) 0.02010(13) 0.0020(2) 0.0009(2) 0.00163(10) 
C31 0.017(4) 0.031(4) 0.028(4) 0.004(4) 0.001(4) 0.003(3) 
C32 0.034(5) 0.021(4) 0.031(5) -0.006(4) 0.000(4) -0.001(4) 
Sn2 0.0213(3) 0.0193(3) 0.0201(3) 0.0004(2) -0.0022(2) 0.0000(2) 
C33 0.029(5) 0.049(5) 0.021(4) -0.004(4) -0.007(4) 0.003(4) 
C34 0.030(5) 0.030(4) 0.026(5) 0.005(4) -0.004(4) -0.007(4) 
C35 0.103(10) 0.009(4) 0.063(7) 0.006(5) -0.004(7) 0.016(5) 
O35 0.074(5) 0.024(3) 0.046(4) 0.004(3) -0.025(4) -0.005(3) 
C36 0.028(5) 0.021(4) 0.030(5) -0.003(4) 0.000(4) 0.003(4) 
O36 0.045(4) 0.028(3) 0.069(5) 0.011(3) -0.030(4) 0.000(3) 
C37 0.022(5) 0.020(4) 0.021(4) 0.004(3) 0.000(4) -0.001(3) 
C38 0.015(4) 0.024(4) 0.031(5) 0.004(3) 0.005(3) -0.004(3) 
C39 0.018(4) 0.031(4) 0.033(5) -0.010(4) -0.001(4) -0.007(4) 
O39 0.027(4) 0.043(4) 0.069(5) -0.017(3) 0.011(3) -0.010(3) 
C40 0.065(9) 0.044(6) 0.099(11) -0.054(7) 0.017(7) -0.022(6) 
O40 0.037(4) 0.040(4) 0.048(4) -0.022(3) 0.003(3) -0.009(3) 
Se2 0.0243(4) 0.0271(4) 0.0213(4) 0.0001(4) -0.0035(3) -0.0009(3) 
N3 0.026(4) 0.017(3) 0.025(4) 0.002(3) -0.004(3) 0.003(3) 
N4 0.021(4) 0.026(3) 0.026(4) 0.000(3) 0.006(3) 0.001(3) 
C41 0.026(5) 0.026(4) 0.023(4) 0.009(4) 0.001(4) -0.001(4) 
C42 0.024(5) 0.023(4) 0.031(5) 0.007(4) -0.002(4) -0.001(4) 
C43 0.019(5) 0.022(4) 0.025(4) -0.002(3) -0.003(3) -0.006(3) 
C44 0.032(5) 0.031(5) 0.015(4) 0.005(3) 0.000(3) 0.002(4) 
C45 0.021(4) 0.023(4) 0.016(4) 0.000(3) 0.000(3) 0.002(3) 
C46 0.027(5) 0.024(4) 0.014(4) 0.000(3) 0.000(3) -0.005(3) 
C47 0.027(5) 0.027(4) 0.014(4) 0.004(3) -0.002(3) -0.007(4) 
C48 0.023(5) 0.014(4) 0.031(5) -0.002(3) -0.006(4) 0.001(4) 
C49 0.016(4) 0.031(4) 0.036(5) -0.008(4) 0.004(4) 0.002(4) 
C50 0.031(5) 0.026(4) 0.025(4) 0.006(4) 0.003(4) 0.003(4) 
C51 0.017(4) 0.037(5) 0.023(4) 0.002(4) 0.003(3) 0.002(4) 
C52 0.021(5) 0.062(6) 0.030(5) 0.001(5) 0.006(4) -0.007(5) 
C53 0.053(7) 0.040(5) 0.043(6) 0.020(5) 0.016(5) 0.000(5) 
C54 0.025(5) 0.036(5) 0.032(5) 0.004(4) 0.003(4) 0.001(4) 
C55 0.033(5) 0.027(4) 0.021(4) 0.001(3) 0.003(4) 0.004(4) 
C56 0.036(6) 0.037(5) 0.027(5) 0.001(4) -0.007(4) 0.011(4) 
C57 0.040(6) 0.049(6) 0.031(5) 0.007(4) -0.004(4) 0.018(5) 
C58 0.049(7) 0.034(5) 0.028(5) -0.001(4) -0.010(4) 0.002(4) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Pt1 C1 2.062(9) . yes 
Pt1 C2 2.091(8) . yes 
Pt1 N1 2.144(6) . yes 
Pt1 N2 2.244(7) . yes 
Pt1 Se1 2.5303(9) . yes 
Pt1 Sn1 2.5578(7) . yes 
Sn1 C3 2.142(9) . yes 
Sn1 C4 2.148(8) . yes 
Sn1 C7 2.152(8) . yes 
C5 O5 1.454(10) . yes 
O5 C6 1.339(10) . yes 
C6 O6 1.222(10) . yes 
C6 C7 1.469(11) . yes 
C7 C8 1.337(11) . yes 
C8 C9 1.507(12) . yes 
C8 Se1 1.900(8) . yes 
C9 O9 1.188(10) . yes 
C9 O10 1.339(10) . yes 
C10 O10 1.431(10) . yes 
N1 C11 1.336(10) . ? 
N1 C15 1.348(10) . ? 
N2 C20 1.345(10) . ? 
N2 C16 1.358(10) . ? 
C11 C12 1.380(12) . ? 
C12 C13 1.406(12) . ? 
C13 C14 1.385(11) . ? 
C13 C21 1.522(11) . ? 
C14 C15 1.390(11) . ? 
C15 C16 1.487(12) . ? 
C16 C17 1.389(11) . ? 
C17 C18 1.392(11) . ? 
C18 C19 1.399(11) . ? 
C18 C25 1.542(11) . ? 
C19 C20 1.378(12) . ? 
C21 C22 1.524(12) . ? 
C21 C24 1.532(12) . ? 
C21 C23 1.541(12) . ? 
C25 C28 1.520(12) . ? 
C25 C27 1.540(11) . ? 
C25 C26 1.542(11) . ? 
Pt2 C31 2.048(8) . yes 
Pt2 C32 2.074(8) . yes 
Pt2 N3 2.156(7) . yes 
Pt2 N4 2.222(7) . yes 
Pt2 Se2 2.5333(9) . yes 
Pt2 Sn2 2.5590(8) . yes 
Sn2 C33 2.149(8) . yes 
Sn2 C37 2.158(8) . yes 
Sn2 C34 2.174(8) . yes 
C35 O35 1.444(11) . yes 
O35 C36 1.347(10) . yes 
C36 O36 1.190(10) . yes 
C36 C37 1.493(11) . yes 
C37 C38 1.344(11) . yes 
C38 C39 1.509(11) . yes 
C38 Se2 1.892(8) . yes 
C39 O39 1.194(10) . yes 
C39 O40 1.353(10) . yes 
C40 O40 1.446(10) . yes 
N3 C41 1.335(11) . ? 
N3 C45 1.368(10) . ? 
N4 C50 1.328(10) . ? 
N4 C46 1.365(10) . ? 
C41 C42 1.373(11) . ? 
C42 C43 1.397(11) . ? 
C43 C44 1.380(12) . ? 
C43 C51 1.523(11) . ? 
C44 C45 1.386(11) . ? 
C45 C46 1.477(11) . ? 
C46 C47 1.377(11) . ? 
C47 C48 1.378(11) . ? 
C48 C49 1.398(11) . ? 
C48 C55 1.545(11) . ? 
C49 C50 1.370(11) . ? 
C51 C54 1.526(11) . ? 
C51 C52 1.529(12) . ? 
C51 C53 1.553(12) . ? 
C55 C58 1.523(12) . ? 
C55 C56 1.529(12) . ? 
C55 C57 1.534(12) . ? 
 
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 
C1 Pt1 C2 89.2(4) . . yes 
C1 Pt1 N1 172.8(3) . . yes 
C2 Pt1 N1 89.9(3) . . yes 
C1 Pt1 N2 98.0(3) . . yes 
C2 Pt1 N2 92.7(3) . . yes 
N1 Pt1 N2 74.9(2) . . yes 
C1 Pt1 Se1 89.5(3) . . yes 
C2 Pt1 Se1 178.7(3) . . yes 
N1 Pt1 Se1 91.4(2) . . yes 
N2 Pt1 Se1 87.5(2) . . yes 
C1 Pt1 Sn1 81.5(2) . . yes 
C2 Pt1 Sn1 91.1(2) . . yes 
N1 Pt1 Sn1 105.7(2) . . yes 
N2 Pt1 Sn1 176.1(2) . . yes 
Se1 Pt1 Sn1 88.60(3) . . yes 
C3 Sn1 C4 105.9(4) . . yes 
C3 Sn1 C7 111.1(3) . . yes 
C4 Sn1 C7 105.9(3) . . yes 
C3 Sn1 Pt1 114.2(3) . . yes 
C4 Sn1 Pt1 120.2(2) . . yes 
C7 Sn1 Pt1 99.0(2) . . yes 
C6 O5 C5 117.0(8) . . yes 
O6 C6 O5 120.3(8) . . yes 
O6 C6 C7 123.7(8) . . yes 
O5 C6 C7 115.9(7) . . yes 
C8 C7 C6 123.9(8) . . yes 
C8 C7 Sn1 120.6(6) . . yes 
C6 C7 Sn1 115.1(6) . . yes 
C7 C8 C9 125.0(7) . . yes 
C7 C8 Se1 125.7(6) . . yes 
C9 C8 Se1 109.4(5) . . yes 
O9 C9 O10 123.7(8) . . yes 
O9 C9 C8 125.8(8) . . yes 
O10 C9 C8 110.5(7) . . yes 
C9 O10 C10 116.9(7) . . yes 
C8 Se1 Pt1 104.5(2) . . yes 
C11 N1 C15 118.0(7) . . ? 
C11 N1 Pt1 124.1(5) . . ? 
C15 N1 Pt1 117.9(5) . . ? 
C20 N2 C16 118.3(7) . . ? 
C20 N2 Pt1 127.2(5) . . ? 
C16 N2 Pt1 113.9(5) . . ? 
N1 C11 C12 123.5(7) . . ? 
C11 C12 C13 119.3(8) . . ? 
C14 C13 C12 116.7(7) . . ? 
C14 C13 C21 123.0(7) . . ? 
C12 C13 C21 120.4(7) . . ? 
C13 C14 C15 121.0(7) . . ? 
N1 C15 C14 121.5(7) . . ? 
N1 C15 C16 116.1(7) . . ? 
C14 C15 C16 122.3(7) . . ? 
N2 C16 C17 121.2(8) . . ? 
N2 C16 C15 115.6(7) . . ? 
C17 C16 C15 123.2(7) . . ? 
C16 C17 C18 120.4(8) . . ? 
C17 C18 C19 117.8(8) . . ? 
C17 C18 C25 120.3(7) . . ? 
C19 C18 C25 121.9(7) . . ? 
C20 C19 C18 118.9(8) . . ? 
N2 C20 C19 123.3(8) . . ? 
C13 C21 C22 109.9(7) . . ? 
C13 C21 C24 111.5(7) . . ? 
C22 C21 C24 109.0(7) . . ? 
C13 C21 C23 109.3(7) . . ? 
C22 C21 C23 108.7(7) . . ? 
C24 C21 C23 108.5(7) . . ? 
C28 C25 C27 108.2(7) . . ? 
C28 C25 C18 111.8(7) . . ? 
C27 C25 C18 108.8(7) . . ? 
C28 C25 C26 109.8(7) . . ? 
C27 C25 C26 109.9(7) . . ? 
C18 C25 C26 108.3(6) . . ? 
C31 Pt2 C32 91.3(3) . . yes 
C31 Pt2 N3 172.7(3) . . yes 
C32 Pt2 N3 87.4(3) . . yes 
C31 Pt2 N4 98.2(3) . . yes 
C32 Pt2 N4 93.4(3) . . yes 
N3 Pt2 N4 74.8(2) . . yes 
C31 Pt2 Se2 87.6(2) . . yes 
C32 Pt2 Se2 178.3(2) . . yes 
N3 Pt2 Se2 93.9(2) . . yes 
N4 Pt2 Se2 88.1(2) . . yes 
C31 Pt2 Sn2 80.6(2) . . yes 
C32 Pt2 Sn2 89.7(2) . . yes 
N3 Pt2 Sn2 106.5(2) . . yes 
N4 Pt2 Sn2 176.7(2) . . yes 
Se2 Pt2 Sn2 88.78(3) . . yes 
C33 Sn2 C37 110.5(3) . . yes 
C33 Sn2 C34 106.4(3) . . yes 
C37 Sn2 C34 107.3(3) . . yes 
C33 Sn2 Pt2 114.4(3) . . yes 
C37 Sn2 Pt2 99.1(2) . . yes 
C34 Sn2 Pt2 118.7(2) . . yes 
C36 O35 C35 116.3(8) . . yes 
O36 C36 O35 122.2(8) . . yes 
O36 C36 C37 124.2(8) . . yes 
O35 C36 C37 113.6(7) . . yes 
C38 C37 C36 125.1(7) . . yes 
C38 C37 Sn2 120.7(6) . . yes 
C36 C37 Sn2 114.1(5) . . yes 
C37 C38 C39 124.3(7) . . yes 
C37 C38 Se2 125.6(6) . . yes 
C39 C38 Se2 110.0(6) . . yes 
O39 C39 O40 125.2(8) . . yes 
O39 C39 C38 125.0(8) . . yes 
O40 C39 C38 109.8(7) . . yes 
C39 O40 C40 115.5(7) . . yes 
C38 Se2 Pt2 105.0(3) . . yes 
C41 N3 C45 118.1(7) . . ? 
C41 N3 Pt2 125.0(5) . . ? 
C45 N3 Pt2 116.8(5) . . ? 
C50 N4 C46 118.4(7) . . ? 
C50 N4 Pt2 125.8(5) . . ? 
C46 N4 Pt2 115.7(5) . . ? 
N3 C41 C42 123.3(8) . . ? 
C41 C42 C43 120.0(8) . . ? 
C44 C43 C42 116.1(7) . . ? 
C44 C43 C51 121.4(7) . . ? 
C42 C43 C51 122.4(7) . . ? 
C43 C44 C45 122.0(7) . . ? 
N3 C45 C44 120.2(7) . . ? 
N3 C45 C46 116.4(7) . . ? 
C44 C45 C46 123.1(7) . . ? 
N4 C46 C47 119.6(7) . . ? 
N4 C46 C45 114.8(7) . . ? 
C47 C46 C45 125.4(7) . . ? 
C46 C47 C48 122.9(7) . . ? 
C47 C48 C49 115.7(7) . . ? 
C47 C48 C55 121.6(7) . . ? 
C49 C48 C55 122.7(7) . . ? 
C50 C49 C48 119.8(8) . . ? 
N4 C50 C49 123.6(8) . . ? 
C43 C51 C54 113.0(7) . . ? 
C43 C51 C52 108.6(7) . . ? 
C54 C51 C52 108.8(7) . . ? 
C43 C51 C53 108.2(7) . . ? 
C54 C51 C53 108.6(7) . . ? 
C52 C51 C53 109.5(8) . . ? 
C58 C55 C56 110.5(7) . . ? 
C58 C55 C57 108.4(7) . . ? 
C56 C55 C57 109.1(8) . . ? 
C58 C55 C48 108.1(7) . . ? 
C56 C55 C48 109.6(7) . . ? 
C57 C55 C48 111.1(7) . . ? 
 
_refine_diff_density_max    2.109 
_refine_diff_density_min   -0.971 
_refine_diff_density_rms    0.132 

  
data_98035 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C30 H40 N2 O6 Pt' 
_chemical_formula_weight          719.73 
  
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' 
 'O'  'O'   0.0106   0.0060 
 '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' 
  
_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
  
_cell_length_a                    10.2375(6) 
_cell_length_b                    16.0350(10) 
_cell_length_c                    18.8895(12) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  102.624(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      3025.9(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     150(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.22 
_exptl_crystal_size_mid           0.18 
_exptl_crystal_size_min           0.07 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.580 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1440 
_exptl_absorpt_coefficient_mu     4.680 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   0.4258 
_exptl_absorpt_correction_T_max   0.7414 
_exptl_absorpt_process_details    ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       150(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Nonius Kappa CCD' 
_diffrn_measurement_method        'phi/omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             11653 
_diffrn_reflns_av_R_equivalents   0.0560 
_diffrn_reflns_av_sigmaI/netI     0.0412 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        15 
_diffrn_reflns_limit_l_min        -18 
_diffrn_reflns_limit_l_max        18 
_diffrn_reflns_theta_min          4.18 
_diffrn_reflns_theta_max          20.64 
_reflns_number_total              3057 
_reflns_number_gt                 2680 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Nonius COLLECT' 
_computing_cell_refinement        'Nonius DENZO' 
_computing_data_reduction         'Nonius DENZO' 
_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. 
; 
  
_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^)+(0.0254P)^2^+26.2632P] 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     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3057 
_refine_ls_number_parameters      363 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0468 
_refine_ls_R_factor_gt            0.0390 
_refine_ls_wR_factor_ref          0.1003 
_refine_ls_wR_factor_gt           0.0959 
_refine_ls_goodness_of_fit_ref    1.125 
_refine_ls_restrained_S_all       1.125 
_refine_ls_shift/su_max           0.003 
_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 
Pt Pt 0.66099(4) 0.85085(2) 0.75152(2) 0.0400(2) Uani 1 1 d . . . 
N1 N 0.5582(7) 0.9456(5) 0.7971(4) 0.040(2) Uani 1 1 d . . . 
C2 C 0.5821(10) 1.0285(6) 0.7948(5) 0.042(3) Uani 1 1 d . . . 
H2A H 0.6474 1.0478 0.7699 0.050 Uiso 1 1 calc R . . 
C3 C 0.5149(10) 1.0851(6) 0.8274(5) 0.042(3) Uani 1 1 d . . . 
H3A H 0.5344 1.1428 0.8245 0.051 Uiso 1 1 calc R . . 
C4 C 0.4190(9) 1.0604(6) 0.8645(5) 0.036(2) Uani 1 1 d . . . 
C5 C 0.3985(9) 0.9755(6) 0.8671(5) 0.038(3) Uani 1 1 d . . . 
H5A H 0.3340 0.9551 0.8921 0.045 Uiso 1 1 calc R . . 
C6 C 0.4691(9) 0.9195(6) 0.8345(5) 0.036(2) Uani 1 1 d . . . 
C7 C 0.4568(10) 0.8271(6) 0.8391(5) 0.037(3) Uani 1 1 d . . . 
C8 C 0.3634(10) 0.7885(6) 0.8706(5) 0.042(3) Uani 1 1 d . . . 
H8A H 0.3045 0.8213 0.8915 0.050 Uiso 1 1 calc R . . 
C9 C 0.3544(10) 0.7010(6) 0.8720(5) 0.043(3) Uani 1 1 d . . . 
C10 C 0.4457(11) 0.6574(6) 0.8434(6) 0.045(3) Uani 1 1 d . . . 
H10A H 0.4444 0.5982 0.8441 0.054 Uiso 1 1 calc R . . 
C11 C 0.5391(11) 0.6979(7) 0.8136(6) 0.048(3) Uani 1 1 d . . . 
H11A H 0.6021 0.6658 0.7950 0.058 Uiso 1 1 calc R . . 
N12 N 0.5440(8) 0.7814(5) 0.8099(4) 0.043(2) Uani 1 1 d . . . 
C13 C 0.3398(10) 1.1205(6) 0.9006(6) 0.046(3) Uani 1 1 d . . . 
C14 C 0.3765(17) 1.2114(8) 0.8880(10) 0.112(6) Uani 1 1 d . . . 
H14A H 0.4671 1.2231 0.9160 0.168 Uiso 1 1 calc R . . 
H14B H 0.3127 1.2488 0.9038 0.168 Uiso 1 1 calc R . . 
H14C H 0.3730 1.2202 0.8363 0.168 Uiso 1 1 calc R . . 
C15 C 0.1926(12) 1.1100(8) 0.8648(7) 0.073(4) Uani 1 1 d . . . 
H15A H 0.1657 1.0521 0.8699 0.109 Uiso 1 1 calc R . . 
H15B H 0.1785 1.1241 0.8132 0.109 Uiso 1 1 calc R . . 
H15C H 0.1387 1.1471 0.8882 0.109 Uiso 1 1 calc R . . 
C16 C 0.3594(15) 1.1005(9) 0.9792(6) 0.087(5) Uani 1 1 d . . . 
H16A H 0.3418 1.0411 0.9851 0.130 Uiso 1 1 calc R . . 
H16B H 0.2975 1.1339 1.0005 0.130 Uiso 1 1 calc R . . 
H16C H 0.4517 1.1134 1.0038 0.130 Uiso 1 1 calc R . . 
C17 C 0.2458(12) 0.6598(6) 0.9041(6) 0.056(3) Uani 1 1 d . . . 
C18 C 0.1090(12) 0.6882(8) 0.8606(7) 0.068(3) Uani 1 1 d . . . 
H18A H 0.1031 0.7491 0.8624 0.102 Uiso 1 1 calc R . . 
H18B H 0.0383 0.6635 0.8815 0.102 Uiso 1 1 calc R . . 
H18C H 0.0978 0.6701 0.8101 0.102 Uiso 1 1 calc R . . 
C19 C 0.2628(14) 0.6848(8) 0.9833(7) 0.076(4) Uani 1 1 d . . . 
H19A H 0.2581 0.7456 0.9869 0.114 Uiso 1 1 calc R . . 
H19B H 0.3499 0.6653 1.0108 0.114 Uiso 1 1 calc R . . 
H19C H 0.1914 0.6595 1.0032 0.114 Uiso 1 1 calc R . . 
C20 C 0.2503(13) 0.5640(7) 0.9000(8) 0.078(4) Uani 1 1 d . . . 
H20A H 0.2384 0.5467 0.8492 0.117 Uiso 1 1 calc R . . 
H20B H 0.1785 0.5403 0.9205 0.117 Uiso 1 1 calc R . . 
H20C H 0.3370 0.5440 0.9276 0.117 Uiso 1 1 calc R . . 
C21 C 0.8218(11) 0.8632(6) 0.8403(6) 0.043(3) Uani 1 1 d . . . 
C22 C 0.9121(11) 0.8723(6) 0.8902(6) 0.046(3) Uani 1 1 d . . . 
C23 C 1.0300(11) 0.8897(6) 0.9456(6) 0.045(3) Uani 1 1 d . . . 
O24 O 1.1427(8) 0.8973(5) 0.9338(4) 0.0546(19) Uani 1 1 d . . . 
O25 O 1.0066(7) 0.8958(5) 1.0115(4) 0.057(2) Uani 1 1 d . . . 
C26 C 1.1214(11) 0.9150(8) 1.0688(6) 0.060(3) Uani 1 1 d . . . 
H26A H 1.0925 0.9226 1.1145 0.090 Uiso 1 1 calc R . . 
H26B H 1.1635 0.9664 1.0567 0.090 Uiso 1 1 calc R . . 
H26C H 1.1859 0.8691 1.0738 0.090 Uiso 1 1 calc R . . 
C27 C 0.4967(10) 0.8333(7) 0.6640(6) 0.054(3) Uani 1 1 d . . . 
H27A H 0.5286 0.8282 0.6189 0.082 Uiso 1 1 calc R . . 
H27B H 0.4361 0.8812 0.6606 0.082 Uiso 1 1 calc R . . 
H27C H 0.4489 0.7823 0.6719 0.082 Uiso 1 1 calc R . . 
C28 C 0.7520(12) 0.7506(7) 0.7127(6) 0.065(3) Uani 1 1 d . . . 
H28A H 0.7890 0.7687 0.6715 0.097 Uiso 1 1 calc R . . 
H28B H 0.6858 0.7065 0.6969 0.097 Uiso 1 1 calc R . . 
H28C H 0.8243 0.7292 0.7513 0.097 Uiso 1 1 calc R . . 
C30 C 0.7074(16) 1.1509(9) 0.5175(7) 0.097(5) Uani 1 1 d . . . 
H30A H 0.6335 1.1862 0.4925 0.146 Uiso 1 1 calc R . . 
H30B H 0.7533 1.1267 0.4820 0.146 Uiso 1 1 calc R . . 
H30C H 0.7708 1.1846 0.5524 0.146 Uiso 1 1 calc R . . 
O31 O 0.6551(9) 1.0843(6) 0.5557(5) 0.079(3) Uani 1 1 d . . . 
C32 C 0.7450(15) 1.0265(7) 0.5902(6) 0.057(3) Uani 1 1 d . . . 
O33 O 0.8593(9) 1.0252(5) 0.5846(4) 0.069(2) Uani 1 1 d . . . 
C34 C 0.6799(12) 0.9685(7) 0.6308(6) 0.054(3) Uani 1 1 d . . . 
H34A H 0.5865 0.9592 0.6147 0.065 Uiso 1 1 calc R . . 
C35 C 0.7453(9) 0.9273(6) 0.6899(6) 0.040(3) Uani 1 1 d . . . 
C36 C 0.8916(11) 0.9478(8) 0.7186(6) 0.049(3) Uani 1 1 d . . . 
O37 O 0.9262(7) 1.0117(5) 0.7508(4) 0.057(2) Uani 1 1 d . . . 
O38 O 0.9739(7) 0.8867(5) 0.7062(4) 0.056(2) Uani 1 1 d . . . 
C39 C 1.1141(10) 0.9024(7) 0.7379(7) 0.064(3) Uani 1 1 d . . . 
H39A H 1.1683 0.8562 0.7262 0.096 Uiso 1 1 calc R . . 
H39B H 1.1267 0.9071 0.7907 0.096 Uiso 1 1 calc R . . 
H39C H 1.1418 0.9544 0.7183 0.096 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 
Pt 0.0413(3) 0.0387(3) 0.0395(3) -0.0047(2) 0.0080(2) 0.0003(2) 
N1 0.030(5) 0.047(6) 0.041(5) -0.002(4) 0.008(4) -0.002(4) 
C2 0.042(6) 0.039(7) 0.047(7) -0.002(5) 0.016(5) -0.011(5) 
C3 0.056(7) 0.026(6) 0.043(6) 0.000(5) 0.006(6) 0.002(5) 
C4 0.040(6) 0.027(6) 0.040(6) -0.001(5) 0.006(5) -0.001(5) 
C5 0.033(6) 0.045(7) 0.034(6) 0.000(5) 0.007(5) 0.002(5) 
C6 0.024(5) 0.045(7) 0.039(6) -0.001(5) 0.003(5) -0.002(5) 
C7 0.045(6) 0.037(6) 0.027(6) -0.001(5) 0.000(5) 0.006(5) 
C8 0.052(7) 0.033(7) 0.042(7) 0.003(5) 0.012(5) 0.004(5) 
C9 0.043(7) 0.042(7) 0.042(7) 0.005(5) 0.005(5) 0.000(6) 
C10 0.053(7) 0.027(6) 0.053(7) 0.000(5) 0.009(6) 0.008(6) 
C11 0.050(7) 0.037(7) 0.056(8) 0.002(6) 0.009(6) 0.014(6) 
N12 0.038(5) 0.043(6) 0.043(5) -0.003(4) -0.004(4) 0.006(4) 
C13 0.049(7) 0.032(6) 0.057(7) -0.009(5) 0.013(6) -0.003(5) 
C14 0.137(14) 0.041(8) 0.189(18) -0.020(9) 0.102(13) -0.004(8) 
C15 0.071(9) 0.073(9) 0.073(9) -0.001(7) 0.010(7) 0.027(7) 
C16 0.121(12) 0.090(10) 0.044(8) -0.011(7) 0.007(8) 0.050(9) 
C17 0.068(8) 0.035(7) 0.066(8) -0.002(6) 0.017(7) -0.001(6) 
C18 0.064(8) 0.061(8) 0.082(9) 0.002(7) 0.020(7) -0.007(7) 
C19 0.099(10) 0.061(8) 0.071(9) -0.004(7) 0.025(8) -0.023(8) 
C20 0.090(10) 0.046(8) 0.105(11) -0.006(7) 0.038(8) -0.008(7) 
C21 0.035(6) 0.044(7) 0.049(7) -0.003(5) 0.005(6) 0.013(5) 
C22 0.041(7) 0.046(7) 0.049(7) -0.004(6) 0.005(7) 0.003(5) 
C23 0.048(8) 0.043(7) 0.043(8) -0.004(5) 0.013(6) 0.001(5) 
O24 0.051(5) 0.062(5) 0.052(5) -0.009(4) 0.011(4) -0.002(4) 
O25 0.052(5) 0.080(6) 0.039(5) -0.003(4) 0.006(4) 0.003(4) 
C26 0.058(8) 0.076(9) 0.041(7) -0.003(6) 0.000(6) 0.002(6) 
C27 0.047(7) 0.059(7) 0.049(7) -0.008(6) -0.009(5) -0.014(6) 
C28 0.085(9) 0.052(7) 0.059(8) -0.013(6) 0.020(7) 0.010(7) 
C30 0.125(13) 0.084(10) 0.068(10) 0.038(8) -0.012(9) -0.033(9) 
O31 0.084(6) 0.078(6) 0.068(6) 0.027(5) 0.004(5) -0.006(5) 
C32 0.072(9) 0.055(8) 0.042(7) -0.004(6) 0.008(7) -0.010(8) 
O33 0.070(6) 0.077(6) 0.060(6) 0.002(4) 0.019(5) -0.012(5) 
C34 0.061(8) 0.055(7) 0.045(7) -0.005(6) 0.010(6) -0.019(6) 
C35 0.031(6) 0.046(6) 0.044(7) -0.021(6) 0.011(5) -0.007(5) 
C36 0.045(7) 0.042(7) 0.050(7) 0.009(6) -0.005(6) -0.006(6) 
O37 0.067(5) 0.047(5) 0.055(5) 0.000(4) 0.006(4) -0.018(4) 
O38 0.045(5) 0.060(5) 0.062(5) -0.007(4) 0.014(4) 0.001(4) 
C39 0.037(7) 0.062(8) 0.091(10) 0.013(7) 0.009(6) -0.013(6) 
  
_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 
Pt C35 2.010(10) . ? 
Pt C28 2.071(10) . ? 
Pt C21 2.086(12) . ? 
Pt C27 2.103(10) . ? 
Pt N12 2.114(9) . ? 
Pt N1 2.134(8) . ? 
N1 C6 1.337(12) . ? 
N1 C2 1.353(12) . ? 
C2 C3 1.364(13) . ? 
C3 C4 1.383(13) . ? 
C4 C5 1.380(13) . ? 
C4 C13 1.513(14) . ? 
C5 C6 1.380(13) . ? 
C6 C7 1.491(14) . ? 
C7 N12 1.363(12) . ? 
C7 C8 1.378(13) . ? 
C8 C9 1.407(14) . ? 
C9 C10 1.368(14) . ? 
C9 C17 1.528(15) . ? 
C10 C11 1.375(14) . ? 
C11 N12 1.342(13) . ? 
C13 C16 1.490(15) . ? 
C13 C15 1.520(15) . ? 
C13 C14 1.536(16) . ? 
C17 C19 1.522(16) . ? 
C17 C18 1.530(16) . ? 
C17 C20 1.539(15) . ? 
C21 C22 1.178(14) . ? 
C22 C23 1.440(16) . ? 
C23 O24 1.229(12) . ? 
C23 O25 1.323(12) . ? 
O25 C26 1.445(12) . ? 
C30 O31 1.455(14) . ? 
O31 C32 1.366(14) . ? 
C32 O33 1.197(13) . ? 
C32 C34 1.457(16) . ? 
C34 C35 1.343(14) . ? 
C35 C36 1.513(14) . ? 
C36 O37 1.205(12) . ? 
C36 O38 1.346(13) . ? 
O38 C39 1.451(12) . ? 
  
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 
C35 Pt C28 89.1(4) . . ? 
C35 Pt C21 92.5(4) . . ? 
C28 Pt C21 91.2(4) . . ? 
C35 Pt C27 89.9(4) . . ? 
C28 Pt C27 87.8(5) . . ? 
C21 Pt C27 177.4(4) . . ? 
C35 Pt N12 170.8(4) . . ? 
C28 Pt N12 97.2(4) . . ? 
C21 Pt N12 93.9(4) . . ? 
C27 Pt N12 83.8(4) . . ? 
C35 Pt N1 96.4(3) . . ? 
C28 Pt N1 174.5(4) . . ? 
C21 Pt N1 88.9(3) . . ? 
C27 Pt N1 91.8(4) . . ? 
N12 Pt N1 77.3(3) . . ? 
C6 N1 C2 118.2(8) . . ? 
C6 N1 Pt 116.3(7) . . ? 
C2 N1 Pt 125.3(6) . . ? 
N1 C2 C3 121.8(9) . . ? 
C2 C3 C4 121.5(9) . . ? 
C5 C4 C3 115.5(9) . . ? 
C5 C4 C13 120.7(9) . . ? 
C3 C4 C13 123.8(9) . . ? 
C6 C5 C4 121.8(9) . . ? 
N1 C6 C5 121.1(9) . . ? 
N1 C6 C7 114.7(9) . . ? 
C5 C6 C7 124.1(9) . . ? 
N12 C7 C8 120.7(9) . . ? 
N12 C7 C6 116.1(9) . . ? 
C8 C7 C6 123.2(9) . . ? 
C7 C8 C9 120.8(10) . . ? 
C10 C9 C8 116.7(10) . . ? 
C10 C9 C17 123.7(9) . . ? 
C8 C9 C17 119.6(10) . . ? 
C9 C10 C11 121.1(10) . . ? 
N12 C11 C10 122.0(10) . . ? 
C11 N12 C7 118.7(9) . . ? 
C11 N12 Pt 125.8(7) . . ? 
C7 N12 Pt 115.1(7) . . ? 
C16 C13 C4 110.1(9) . . ? 
C16 C13 C15 108.9(10) . . ? 
C4 C13 C15 107.9(9) . . ? 
C16 C13 C14 111.9(11) . . ? 
C4 C13 C14 111.2(9) . . ? 
C15 C13 C14 106.8(11) . . ? 
C19 C17 C9 109.9(9) . . ? 
C19 C17 C18 110.1(10) . . ? 
C9 C17 C18 108.6(9) . . ? 
C19 C17 C20 108.3(10) . . ? 
C9 C17 C20 112.3(9) . . ? 
C18 C17 C20 107.7(10) . . ? 
C22 C21 Pt 178.3(9) . . ? 
C21 C22 C23 173.0(12) . . ? 
O24 C23 O25 122.3(10) . . ? 
O24 C23 C22 123.9(10) . . ? 
O25 C23 C22 113.8(10) . . ? 
C23 O25 C26 115.8(9) . . ? 
C32 O31 C30 116.8(10) . . ? 
O33 C32 O31 122.7(11) . . ? 
O33 C32 C34 127.1(12) . . ? 
O31 C32 C34 110.2(12) . . ? 
C35 C34 C32 123.4(11) . . ? 
C34 C35 C36 117.7(9) . . ? 
C34 C35 Pt 125.6(8) . . ? 
C36 C35 Pt 116.2(7) . . ? 
O37 C36 O38 125.5(10) . . ? 
O37 C36 C35 121.6(10) . . ? 
O38 C36 C35 112.8(9) . . ? 
C36 O38 C39 113.7(9) . . ? 
  
_diffrn_measured_fraction_theta_max    0.990 
_diffrn_reflns_theta_full              20.64 
_diffrn_measured_fraction_theta_full   0.990 
_refine_diff_density_max    1.368 
_refine_diff_density_min   -0.761 
_refine_diff_density_rms    0.107 
  
 
data_ptsesn 
  
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C30 H48 N2 O4 Pt Se2 Sn2' 
_chemical_formula_weight          1091.09 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
  
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' 
 'O'  'O'   0.0106   0.0060 
 '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' 
 'Sn'  'Sn'  -0.6537   1.4246 
 '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' 
  
_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                    10.8110(3) 
_cell_length_b                    12.5192(2) 
_cell_length_c                    15.0604(3) 
_cell_angle_alpha                 78.8950(10) 
_cell_angle_beta                  70.8620(10) 
_cell_angle_gamma                 86.7210(10) 
_cell_volume                      1889.60(7) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     294(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
  
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           ? 
_exptl_crystal_size_mid           ? 
_exptl_crystal_size_min           ? 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.918 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1040 
_exptl_absorpt_coefficient_mu     6.963 
_exptl_absorpt_correction_type    empirical 
_exptl_absorpt_correction_T_min   0.3030 
_exptl_absorpt_correction_T_max   0.5432 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       294(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Nonius Kappa CCD' 
_diffrn_measurement_method        'phi/omega scans' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             18905 
_diffrn_reflns_av_R_equivalents   0.0506 
_diffrn_reflns_av_sigmaI/netI     0.0559 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -17 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -21 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          1.46 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              6616 
_reflns_number_observed           5846 
_reflns_observed_criterion        >2sigma(I) 
  
_computing_data_collection        'Nonius COLLECT' 
_computing_cell_refinement        'Nonius DENZO' 
_computing_data_reduction         'Nonius DENZO' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 
  
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 11 with very negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-factors 
 wR and all goodnesses 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 observed criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme 
 'calc w=1/[\s^2^(Fo^2^)+(0.0132P)^2^+2.9141P] 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     ? 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00015(15) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          6605 
_refine_ls_number_parameters      413 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0341 
_refine_ls_R_factor_obs           0.0267 
_refine_ls_wR_factor_all          0.0690 
_refine_ls_wR_factor_obs          0.0621 
_refine_ls_goodness_of_fit_all    0.972 
_refine_ls_goodness_of_fit_obs    0.949 
_refine_ls_restrained_S_all       0.987 
_refine_ls_restrained_S_obs       0.949 
_refine_ls_shift/esd_max          0.632 
_refine_ls_shift/esd_mean         0.029 
  
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
Pt1 Pt 0.03972(2) 0.111251(13) 0.254335(12) 0.03730(8) Uani 1 d . . 
Sn1 Sn 0.47487(4) 0.26835(3) 0.17199(3) 0.06096(12) Uani 1 d . . 
Sn2 Sn 0.24552(3) 0.06256(2) 0.12525(2) 0.04363(10) Uani 1 d . . 
Se1 Se 0.19867(5) 0.13561(3) 0.34113(3) 0.04257(12) Uani 1 d . . 
Se2 Se 0.40715(5) 0.22113(4) 0.03964(4) 0.05346(14) Uani 1 d . . 
O1 O 0.3490(17) 0.4998(10) 0.3341(11) 0.115(5) Uani 0.50 d P 1 
O1' O 0.4443(12) 0.4809(10) 0.2964(10) 0.089(4) Uani 0.50 d P 2 
O2 O 0.3143(5) 0.5271(3) 0.2015(3) 0.0806(13) Uani 1 d . . 
O3 O 0.0641(11) 0.4367(7) 0.3740(6) 0.089(3) Uani 0.55 d P 3 
O3' O 0.1503(16) 0.4337(12) 0.4119(14) 0.162(8) Uani 0.45 d P 4 
O4 O 0.0267(5) 0.2881(4) 0.4629(4) 0.104(2) Uani 1 d . . 
N1 N -0.1396(3) 0.1498(3) 0.3682(3) 0.0406(8) Uani 1 d . . 
N2 N 0.0075(3) 0.2827(3) 0.2141(3) 0.0399(8) Uani 1 d . . 
C1 C -0.0797(5) 0.0771(5) 0.1790(4) 0.069(2) Uani 1 d . . 
H1A H -0.0998(5) 0.1435(5) 0.1426(4) 0.103 Uiso 1 calc R . 
H1B H -0.1593(5) 0.0432(5) 0.2232(4) 0.103 Uiso 1 calc R . 
H1C H -0.0349(5) 0.0288(5) 0.1366(4) 0.103 Uiso 1 calc R . 
C2 C 0.0385(5) -0.0537(4) 0.3074(4) 0.0623(14) Uani 1 d . . 
H2A H 0.0901(5) -0.0678(4) 0.3494(4) 0.093 Uiso 1 calc R . 
H2B H 0.0747(5) -0.0921(4) 0.2553(4) 0.093 Uiso 1 calc R . 
H2C H -0.0499(5) -0.0779(4) 0.3420(4) 0.093 Uiso 1 calc R . 
C3 C 0.3192(6) 0.3445(4) 0.2706(4) 0.0529(12) Uani 1 d . . 
C4 C 0.3443(8) 0.4614(5) 0.2686(4) 0.079(2) Uani 1 d . . 
C5 C 0.3395(8) 0.6418(5) 0.1934(6) 0.101(3) Uani 1 d . . 
H5A H 0.3136(8) 0.6833(5) 0.1418(6) 0.152 Uiso 1 calc R . 
H5B H 0.4312(8) 0.6530(5) 0.1810(6) 0.152 Uiso 1 calc R . 
H5C H 0.2903(8) 0.6651(5) 0.2521(6) 0.152 Uiso 1 calc R . 
C6 C 0.2153(5) 0.2895(4) 0.3317(3) 0.0447(11) Uani 1 d . . 
C7 C 0.1091(7) 0.3459(5) 0.3965(4) 0.071(2) Uani 1 d . . 
C8 C -0.0775(8) 0.3369(6) 0.5308(6) 0.105(3) Uani 1 d . . 
H8A H -0.1315(8) 0.2806(6) 0.5778(6) 0.158 Uiso 1 calc R . 
H8B H -0.1296(8) 0.3820(6) 0.4979(6) 0.158 Uiso 1 calc R . 
H8C H -0.0405(8) 0.3804(6) 0.5619(6) 0.158 Uiso 1 calc R . 
C9 C 0.5614(6) 0.1373(6) 0.2435(5) 0.087(2) Uani 1 d . . 
H9A H 0.4971(6) 0.0811(6) 0.2772(5) 0.131 Uiso 1 calc R . 
H9B H 0.5932(6) 0.1631(6) 0.2881(5) 0.131 Uiso 1 calc R . 
H9C H 0.6329(6) 0.1085(6) 0.1975(5) 0.131 Uiso 1 calc R . 
C10 C 0.6202(8) 0.3926(7) 0.0973(6) 0.120(3) Uani 1 d . . 
H10A H 0.5821(8) 0.4523(7) 0.0650(6) 0.180 Uiso 1 calc R . 
H10B H 0.6915(8) 0.3634(7) 0.0514(6) 0.180 Uiso 1 calc R . 
H10C H 0.6521(8) 0.4178(7) 0.1422(6) 0.180 Uiso 1 calc R . 
C11 C 0.2165(7) 0.0173(6) 0.0028(5) 0.084(2) Uani 1 d . . 
H11A H 0.1643(7) 0.0713(6) -0.0227(5) 0.126 Uiso 1 calc R . 
H11B H 0.1724(7) -0.0519(6) 0.0215(5) 0.126 Uiso 1 calc R . 
H11C H 0.2998(7) 0.0121(6) -0.0451(5) 0.126 Uiso 1 calc R . 
C12 C 0.3623(6) -0.0633(4) 0.1752(5) 0.071(2) Uani 1 d . . 
H12A H 0.3785(6) -0.0469(4) 0.2302(5) 0.107 Uiso 1 calc R . 
H12B H 0.4441(6) -0.0677(4) 0.1255(5) 0.107 Uiso 1 calc R . 
H12C H 0.3167(6) -0.1316(4) 0.1923(5) 0.107 Uiso 1 calc R . 
C13 C -0.2062(5) 0.0812(4) 0.4472(4) 0.0529(12) Uani 1 d . . 
H13A H -0.1705(5) 0.0133(4) 0.4618(4) 0.063 Uiso 1 calc R . 
C14 C -0.3250(5) 0.1068(4) 0.5075(4) 0.0528(12) Uani 1 d . . 
H14A H -0.3670(5) 0.0570(4) 0.5623(4) 0.063 Uiso 1 calc R . 
C15 C -0.3831(4) 0.2058(4) 0.4879(3) 0.0427(10) Uani 1 d . . 
C16 C -0.5182(5) 0.2356(4) 0.5506(3) 0.0497(12) Uani 1 d . . 
C17 C -0.5804(14) 0.1452(15) 0.6386(13) 0.111(7) Uani 0.50 d P 5 
H17A H -0.5218(14) 0.1277(15) 0.6753(13) 0.166 Uiso 0.50 calc PR 5 
H17B H -0.5961(14) 0.0813(15) 0.6172(13) 0.166 Uiso 0.50 calc PR 5 
H17C H -0.6618(14) 0.1706(15) 0.6777(13) 0.166 Uiso 0.50 calc PR 5 
C18 C -0.5071(25) 0.3389(24) 0.5850(22) 0.209(19) Uani 0.50 d P 5 
H18A H -0.4515(25) 0.3268(24) 0.6243(22) 0.314 Uiso 0.50 calc PR 5 
H18B H -0.5925(25) 0.3601(24) 0.6217(22) 0.314 Uiso 0.50 calc PR 5 
H18C H -0.4703(25) 0.3956(24) 0.5310(22) 0.314 Uiso 0.50 calc PR 5 
C19 C -0.6081(11) 0.2562(14) 0.4917(7) 0.140(11) Uani 0.50 d P 5 
H19A H -0.6933(11) 0.2749(14) 0.5306(7) 0.211 Uiso 0.50 calc PR 5 
H19B H -0.6145(11) 0.1918(14) 0.4676(7) 0.211 Uiso 0.50 calc PR 5 
H19C H -0.5740(11) 0.3152(14) 0.4391(7) 0.211 Uiso 0.50 calc PR 5 
C17' C -0.5207(11) 0.2129(14) 0.6552(7) 0.091(5) Uani 0.50 d PR 6 
H17D H -0.4545(11) 0.2561(14) 0.6615(7) 0.136 Uiso 0.50 calc PR 6 
H17E H -0.5040(11) 0.1372(14) 0.6738(7) 0.136 Uiso 0.50 calc PR 6 
H17F H -0.6051(11) 0.2313(14) 0.6956(7) 0.136 Uiso 0.50 calc PR 6 
C18' C -0.5493(19) 0.3545(13) 0.5243(15) 0.104(7) Uani 0.50 d P 6 
H18D H -0.4850(19) 0.3988(13) 0.5317(15) 0.156 Uiso 0.50 calc PR 6 
H18E H -0.6345(19) 0.3700(13) 0.5654(15) 0.156 Uiso 0.50 calc PR 6 
H18F H -0.5480(19) 0.3701(13) 0.4590(15) 0.156 Uiso 0.50 calc PR 6 
C19' C -0.6183(13) 0.1651(16) 0.5415(14) 0.110(6) Uani 0.50 d P 6 
H19D H -0.7037(13) 0.1831(16) 0.5807(14) 0.164 Uiso 0.50 calc PR 6 
H19E H -0.6002(13) 0.0901(16) 0.5618(14) 0.164 Uiso 0.50 calc PR 6 
H19F H -0.6155(13) 0.1768(16) 0.4759(14) 0.164 Uiso 0.50 calc PR 6 
C20 C -0.3113(4) 0.2769(4) 0.4054(3) 0.0422(10) Uani 1 d . . 
H20A H -0.3461(4) 0.3443(4) 0.3881(3) 0.051 Uiso 1 calc R . 
C21 C -0.1901(4) 0.2485(3) 0.3495(3) 0.0381(10) Uani 1 d . . 
C22 C -0.1059(4) 0.3245(3) 0.2666(3) 0.0395(10) Uani 1 d . . 
C23 C -0.1336(5) 0.4338(4) 0.2474(3) 0.0468(11) Uani 1 d . . 
H23A H -0.2117(5) 0.4600(4) 0.2847(3) 0.056 Uiso 1 calc R . 
C24 C -0.0480(5) 0.5062(4) 0.1739(3) 0.0435(10) Uani 1 d . . 
C25 C -0.0789(5) 0.6277(4) 0.1589(4) 0.0526(12) Uani 1 d . . 
C26 C -0.0809(7) 0.6696(5) 0.2477(5) 0.077(2) Uani 1 d . . 
H26A H -0.1450(7) 0.6296(5) 0.3028(5) 0.116 Uiso 1 calc R . 
H26B H -0.1030(7) 0.7455(5) 0.2408(5) 0.116 Uiso 1 calc R . 
H26C H 0.0039(7) 0.6603(5) 0.2555(5) 0.116 Uiso 1 calc R . 
C27 C 0.0234(7) 0.6913(5) 0.0715(5) 0.080(2) Uani 1 d . . 
H27A H 0.0251(7) 0.6649(5) 0.0154(5) 0.120 Uiso 1 calc R . 
H27B H 0.1080(7) 0.6818(5) 0.0797(5) 0.120 Uiso 1 calc R . 
H27C H 0.0015(7) 0.7672(5) 0.0646(5) 0.120 Uiso 1 calc R . 
C28 C -0.2146(6) 0.6444(4) 0.1454(5) 0.070(2) Uani 1 d . . 
H28A H -0.2133(6) 0.6181(4) 0.0893(5) 0.105 Uiso 1 calc R . 
H28B H -0.2353(6) 0.7206(4) 0.1382(5) 0.105 Uiso 1 calc R . 
H28C H -0.2796(6) 0.6051(4) 0.2003(5) 0.105 Uiso 1 calc R . 
C29 C 0.0655(5) 0.4620(4) 0.1219(3) 0.0483(11) Uani 1 d . . 
H29A H 0.1265(5) 0.5066(4) 0.0722(3) 0.058 Uiso 1 calc R . 
C30 C 0.0904(5) 0.3517(4) 0.1424(3) 0.0479(11) Uani 1 d . . 
H30A H 0.1677(5) 0.3243(4) 0.1051(3) 0.058 Uiso 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 0.03409(11) 0.03194(11) 0.04610(12) -0.01020(8) -0.01154(8) 0.00001(7) 
Sn1 0.0449(2) 0.0704(3) 0.0687(3) -0.0201(2) -0.0132(2) -0.0155(2) 
Sn2 0.0424(2) 0.0419(2) 0.0495(2) -0.01980(15) -0.01293(15) 0.00410(13) 
Se1 0.0487(3) 0.0347(2) 0.0489(3) -0.0089(2) -0.0214(2) 0.0017(2) 
Se2 0.0467(3) 0.0596(3) 0.0471(3) -0.0129(2) -0.0033(2) -0.0043(2) 
O1 0.205(16) 0.068(7) 0.114(11) -0.017(7) -0.101(12) -0.034(10) 
O1' 0.119(9) 0.071(7) 0.099(9) -0.009(6) -0.060(8) -0.036(7) 
O2 0.104(3) 0.047(2) 0.092(3) -0.006(2) -0.033(3) -0.023(2) 
O3 0.124(8) 0.062(5) 0.059(5) -0.014(4) -0.006(5) 0.038(5) 
O3' 0.127(12) 0.097(10) 0.212(18) -0.111(11) 0.067(12) -0.043(9) 
O4 0.090(3) 0.069(3) 0.122(4) -0.047(3) 0.029(3) -0.013(2) 
N1 0.035(2) 0.034(2) 0.048(2) 0.000(2) -0.010(2) -0.0032(15) 
N2 0.039(2) 0.040(2) 0.038(2) -0.003(2) -0.011(2) 0.001(2) 
C1 0.049(3) 0.088(4) 0.082(4) -0.039(3) -0.024(3) 0.000(3) 
C2 0.060(3) 0.034(3) 0.085(4) -0.008(3) -0.013(3) -0.010(2) 
C3 0.071(3) 0.042(3) 0.054(3) -0.011(2) -0.028(3) -0.009(2) 
C4 0.132(6) 0.055(4) 0.052(3) 0.003(3) -0.033(4) -0.038(4) 
C5 0.138(7) 0.044(3) 0.106(6) 0.005(4) -0.024(5) -0.034(4) 
C6 0.058(3) 0.037(2) 0.044(3) -0.010(2) -0.021(2) -0.004(2) 
C7 0.115(5) 0.042(3) 0.046(3) -0.019(3) -0.006(3) -0.005(3) 
C8 0.091(5) 0.101(6) 0.107(6) -0.064(5) 0.015(4) -0.004(4) 
C9 0.055(4) 0.115(5) 0.109(5) -0.039(5) -0.043(4) 0.021(4) 
C10 0.081(5) 0.131(7) 0.126(7) -0.030(6) 0.010(5) -0.062(5) 
C11 0.084(5) 0.106(5) 0.076(4) -0.052(4) -0.026(4) -0.005(4) 
C12 0.065(4) 0.053(3) 0.093(5) -0.021(3) -0.021(3) 0.021(3) 
C13 0.047(3) 0.039(3) 0.059(3) 0.006(2) -0.008(2) 0.004(2) 
C14 0.051(3) 0.047(3) 0.050(3) 0.001(2) -0.006(2) -0.003(2) 
C15 0.041(2) 0.047(3) 0.039(2) -0.009(2) -0.011(2) 0.000(2) 
C16 0.043(3) 0.052(3) 0.044(3) -0.006(2) -0.004(2) 0.003(2) 
C17 0.053(8) 0.121(14) 0.107(14) 0.018(11) 0.016(9) 0.021(8) 
C18 0.116(19) 0.225(29) 0.257(35) -0.214(30) 0.090(20) -0.084(19) 
C19 0.055(9) 0.296(35) 0.060(9) -0.036(14) -0.014(8) 0.066(16) 
C17' 0.082(11) 0.129(15) 0.043(7) -0.015(8) 0.000(7) 0.028(10) 
C18' 0.077(12) 0.061(9) 0.120(16) -0.013(10) 0.030(11) 0.028(9) 
C19' 0.035(7) 0.161(17) 0.145(17) -0.085(14) -0.013(9) -0.010(9) 
C20 0.037(2) 0.039(2) 0.044(3) -0.002(2) -0.008(2) 0.006(2) 
C21 0.041(2) 0.029(2) 0.042(2) -0.004(2) -0.011(2) 0.000(2) 
C22 0.034(2) 0.039(2) 0.042(2) -0.010(2) -0.007(2) 0.004(2) 
C23 0.043(3) 0.037(2) 0.052(3) -0.005(2) -0.006(2) 0.004(2) 
C24 0.048(3) 0.039(2) 0.039(2) -0.007(2) -0.009(2) 0.003(2) 
C25 0.058(3) 0.035(2) 0.056(3) -0.006(2) -0.008(2) 0.003(2) 
C26 0.100(5) 0.050(3) 0.078(4) -0.023(3) -0.018(4) 0.001(3) 
C27 0.087(4) 0.046(3) 0.084(4) 0.000(3) -0.004(4) -0.004(3) 
C28 0.079(4) 0.042(3) 0.085(4) -0.002(3) -0.028(3) 0.012(3) 
C29 0.050(3) 0.040(3) 0.045(3) -0.002(2) -0.005(2) -0.001(2) 
C30 0.042(2) 0.046(3) 0.042(3) -0.001(2) 0.000(2) 0.006(2) 
  
_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 C2 2.065(5) . ? 
Pt1 C1 2.085(5) . ? 
Pt1 N2 2.156(3) . ? 
Pt1 N1 2.228(4) . ? 
Pt1 Se1 2.5380(5) . ? 
Pt1 Sn2 2.5625(4) . ? 
Sn1 C9 2.129(6) . ? 
Sn1 C10 2.145(6) . ? 
Sn1 C3 2.161(6) . ? 
Sn1 Se2 2.5137(6) . ? 
Sn2 C12 2.140(5) . ? 
Sn2 C11 2.150(6) . ? 
Sn2 Se2 2.5671(6) . ? 
Se1 C6 1.919(4) . ? 
O1 C4 1.194(13) . ? 
O1' C4 1.331(13) . ? 
O2 C4 1.291(7) . ? 
O2 C5 1.451(7) . ? 
O3 C7 1.241(10) . ? 
O3' C7 1.297(13) . ? 
O4 C7 1.236(7) . ? 
O4 C8 1.447(8) . ? 
N1 C13 1.337(6) . ? 
N1 C21 1.339(5) . ? 
N2 C30 1.345(6) . ? 
N2 C22 1.361(6) . ? 
C3 C6 1.323(7) . ? 
C3 C4 1.496(7) . ? 
C6 C7 1.486(8) . ? 
C13 C14 1.370(7) . ? 
C14 C15 1.382(7) . ? 
C15 C20 1.399(6) . ? 
C15 C16 1.527(7) . ? 
C16 C19' 1.491(14) . ? 
C16 C19 1.500(12) . ? 
C16 C17 1.55(2) . ? 
C16 C17' 1.537(11) . ? 
C16 C18 1.51(2) . ? 
C16 C18' 1.51(2) . ? 
C20 C21 1.376(6) . ? 
C21 C22 1.479(6) . ? 
C22 C23 1.381(6) . ? 
C23 C24 1.393(6) . ? 
C24 C29 1.374(7) . ? 
C24 C25 1.528(6) . ? 
C25 C26 1.521(8) . ? 
C25 C27 1.527(7) . ? 
C25 C28 1.543(8) . ? 
C29 C30 1.386(6) . ? 
  
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 
C2 Pt1 C1 87.3(2) . . ? 
C2 Pt1 N2 170.5(2) . . ? 
C1 Pt1 N2 89.5(2) . . ? 
C2 Pt1 N1 96.2(2) . . ? 
C1 Pt1 N1 88.6(2) . . ? 
N2 Pt1 N1 74.73(13) . . ? 
C2 Pt1 Se1 88.3(2) . . ? 
C1 Pt1 Se1 174.1(2) . . ? 
N2 Pt1 Se1 95.43(9) . . ? 
N1 Pt1 Se1 95.82(9) . . ? 
C2 Pt1 Sn2 82.6(2) . . ? 
C1 Pt1 Sn2 91.4(2) . . ? 
N2 Pt1 Sn2 106.52(10) . . ? 
N1 Pt1 Sn2 178.75(9) . . ? 
Se1 Pt1 Sn2 84.125(14) . . ? 
C9 Sn1 C10 108.8(3) . . ? 
C9 Sn1 C3 112.2(2) . . ? 
C10 Sn1 C3 105.9(3) . . ? 
C9 Sn1 Se2 114.1(2) . . ? 
C10 Sn1 Se2 102.6(3) . . ? 
C3 Sn1 Se2 112.36(13) . . ? 
C12 Sn2 C11 106.0(3) . . ? 
C12 Sn2 Pt1 114.9(2) . . ? 
C11 Sn2 Pt1 116.5(2) . . ? 
C12 Sn2 Se2 104.0(2) . . ? 
C11 Sn2 Se2 99.1(2) . . ? 
Pt1 Sn2 Se2 114.52(2) . . ? 
C6 Se1 Pt1 106.43(14) . . ? 
Sn1 Se2 Sn2 103.19(2) . . ? 
C4 O2 C5 116.2(5) . . ? 
C7 O4 C8 120.5(5) . . ? 
C13 N1 C21 118.1(4) . . ? 
C13 N1 Pt1 126.3(3) . . ? 
C21 N1 Pt1 115.3(3) . . ? 
C30 N2 C22 117.5(4) . . ? 
C30 N2 Pt1 125.6(3) . . ? 
C22 N2 Pt1 116.9(3) . . ? 
C6 C3 C4 123.3(5) . . ? 
C6 C3 Sn1 122.2(4) . . ? 
C4 C3 Sn1 114.3(4) . . ? 
O1 C4 O2 116.3(9) . . ? 
O2 C4 O1' 122.0(7) . . ? 
O1 C4 C3 126.5(8) . . ? 
O2 C4 C3 113.1(5) . . ? 
O1' C4 C3 116.0(8) . . ? 
C3 C6 C7 120.3(4) . . ? 
C3 C6 Se1 121.4(4) . . ? 
C7 C6 Se1 118.3(4) . . ? 
O4 C7 O3 111.5(8) . . ? 
O4 C7 O3' 119.0(9) . . ? 
O4 C7 C6 117.1(5) . . ? 
O3 C7 C6 125.7(6) . . ? 
O3' C7 C6 112.2(8) . . ? 
N1 C13 C14 122.6(4) . . ? 
C13 C14 C15 120.8(4) . . ? 
C14 C15 C20 115.7(4) . . ? 
C14 C15 C16 122.5(4) . . ? 
C20 C15 C16 121.8(4) . . ? 
C19' C16 C15 108.7(7) . . ? 
C19 C16 C15 108.9(5) . . ? 
C19 C16 C17 108.2(11) . . ? 
C15 C16 C17 113.3(7) . . ? 
C19' C16 C17' 108.8(12) . . ? 
C15 C16 C17' 108.5(5) . . ? 
C19 C16 C18 108.2(17) . . ? 
C15 C16 C18 109.1(9) . . ? 
C17 C16 C18 109.0(15) . . ? 
C19' C16 C18' 110.4(12) . . ? 
C15 C16 C18' 112.0(8) . . ? 
C17' C16 C18' 108.3(11) . . ? 
C21 C20 C15 121.0(4) . . ? 
N1 C21 C20 121.6(4) . . ? 
N1 C21 C22 115.6(4) . . ? 
C20 C21 C22 122.8(4) . . ? 
N2 C22 C23 121.0(4) . . ? 
N2 C22 C21 116.2(4) . . ? 
C23 C22 C21 122.6(4) . . ? 
C22 C23 C24 122.0(4) . . ? 
C29 C24 C23 115.8(4) . . ? 
C29 C24 C25 123.8(4) . . ? 
C23 C24 C25 120.2(4) . . ? 
C26 C25 C27 109.2(5) . . ? 
C26 C25 C24 107.9(4) . . ? 
C27 C25 C24 111.7(4) . . ? 
C26 C25 C28 109.5(5) . . ? 
C27 C25 C28 109.0(5) . . ? 
C24 C25 C28 109.5(4) . . ? 
C24 C29 C30 120.9(4) . . ? 
N2 C30 C29 122.7(4) . . ? 
  
_refine_diff_density_max    0.739 
_refine_diff_density_min   -1.044 
_refine_diff_density_rms    0.120