data_tgd02 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          
 'C46 H28 B F20 N2 O Pt' 
_chemical_formula_sum 
 'C46 H28 B F20 N2 O Pt' 
_chemical_formula_weight          1210.60 
  
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' 
 'B'  'B'   0.0013   0.0007 
 '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' 
 'F'  'F'   0.0171   0.0103 
 '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                    11.8621(3) 
_cell_length_b                    18.2176(4) 
_cell_length_c                    20.7937(5) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  98.5320(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      4443.77(18) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     100(2) 
_cell_measurement_reflns_used     29686 
_cell_measurement_theta_min       2.17 
_cell_measurement_theta_max       44.98 
  
_exptl_crystal_description        Fragment 
_exptl_crystal_colour             Orange 
_exptl_crystal_size_max           0.37 
_exptl_crystal_size_mid           0.31 
_exptl_crystal_size_min           0.18 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.810 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2356 
_exptl_absorpt_coefficient_mu     3.281 
_exptl_absorpt_correction_type    'Integration and multi-scan' 
_exptl_absorpt_correction_T_min   0.35867
_exptl_absorpt_correction_T_max   0.60991
_exptl_absorpt_process_details    ? 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       100(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'normal-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Bruker SMART 1000' 
_diffrn_measurement_method        '\w scans at 2 \f settings each of 2q=-28 and -73' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             91169 
_diffrn_reflns_av_R_equivalents   0.0461 
_diffrn_reflns_av_sigmaI/netI     0.0766 
_diffrn_reflns_limit_h_min        -20 
_diffrn_reflns_limit_h_max        24 
_diffrn_reflns_limit_k_min        -38 
_diffrn_reflns_limit_k_max        31 
_diffrn_reflns_limit_l_min        -43 
_diffrn_reflns_limit_l_max        40 
_diffrn_reflns_theta_min          1.87 
_diffrn_reflns_theta_max          48.91 
_reflns_number_total              39590 
_reflns_number_gt                 24712 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        'Bruker SMART v5.054' 
_computing_cell_refinement        'Bruker SAINT v6.45' 
_computing_data_reduction         'Bruker SAINT v6.45' 
_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 matrix' 
_refine_ls_weighting_scheme       Sigma
_refine_ls_weighting_details      'w=1/s^2^(Fo^2^)' 
_atom_sites_solution_primary      'Patterson method'
_atom_sites_solution_secondary    'Difference Fourier map'
_atom_sites_solution_hydrogens    'Geometric positions'
_refine_ls_hydrogen_treatment     Riding
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          39590 
_refine_ls_number_parameters      648 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0929 
_refine_ls_R_factor_gt            0.0446 
_refine_ls_wR_factor_ref          0.0753 
_refine_ls_wR_factor_gt           0.0678 
_refine_ls_goodness_of_fit_ref    1.199 
_refine_ls_restrained_S_all       1.199 
_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 
Pt1 Pt 1.062568(5) 0.860365(3) 0.140807(3) 0.01237(1) Uani 1 1 d . . . 
O1 O 0.98842(10) 0.79057(7) 0.06893(6) 0.0168(2) Uani 1 1 d . . . 
N1 N 1.22210(12) 0.84119(8) 0.11719(7) 0.0141(2) Uani 1 1 d . . . 
N2 N 1.15744(12) 0.92536(8) 0.20295(7) 0.0147(2) Uani 1 1 d . . . 
B1 B 0.87624(16) 0.74996(11) 0.04668(10) 0.0150(3) Uani 1 1 d . . . 
C1 C 1.30297(14) 0.88125(10) 0.14811(9) 0.0161(3) Uani 1 1 d . . . 
C2 C 1.26502(14) 0.93142(10) 0.19674(9) 0.0168(3) Uani 1 1 d . . . 
C3 C 1.42601(15) 0.87580(11) 0.14057(10) 0.0232(4) Uani 1 1 d . . . 
H3A H 1.4698 0.8575 0.1811 0.035 Uiso 1 1 calc R . . 
H3B H 1.4544 0.9244 0.1307 0.035 Uiso 1 1 calc R . . 
H3C H 1.4346 0.8419 0.1050 0.035 Uiso 1 1 calc R . . 
C4 C 1.34750(16) 0.98091(11) 0.23633(10) 0.0234(4) Uani 1 1 d . . . 
H4A H 1.3080 1.0091 0.2664 0.035 Uiso 1 1 calc R . . 
H4B H 1.3807 1.0147 0.2076 0.035 Uiso 1 1 calc R . . 
H4C H 1.4082 0.9516 0.2612 0.035 Uiso 1 1 calc R . . 
C5 C 1.24637(14) 0.78119(9) 0.07611(8) 0.0149(3) Uani 1 1 d . . . 
C6 C 1.26308(15) 0.71201(10) 0.10524(9) 0.0178(3) Uani 1 1 d . . . 
C7 C 1.28181(17) 0.65334(10) 0.06566(10) 0.0217(4) Uani 1 1 d . . . 
H7 H 1.2938 0.6059 0.0844 0.026 Uiso 1 1 calc R . . 
C8 C 1.28355(16) 0.66205(11) -0.00094(10) 0.0217(4) Uani 1 1 d . . . 
C9 C 1.26553(16) 0.73178(11) -0.02779(9) 0.0209(3) Uani 1 1 d . . . 
H9 H 1.2664 0.7381 -0.0731 0.025 Uiso 1 1 calc R . . 
C10 C 1.24623(15) 0.79264(10) 0.00962(9) 0.0179(3) Uani 1 1 d . . . 
C11 C 1.26266(18) 0.70143(11) 0.17726(9) 0.0247(4) Uani 1 1 d . . . 
H11A H 1.2658 0.6489 0.1875 0.037 Uiso 1 1 calc R . . 
H11B H 1.1928 0.7225 0.1894 0.037 Uiso 1 1 calc R . . 
H11C H 1.3291 0.7261 0.2016 0.037 Uiso 1 1 calc R . . 
C12 C 1.30627(19) 0.59732(12) -0.04223(11) 0.0294(5) Uani 1 1 d . . . 
H12A H 1.2405 0.5894 -0.0760 0.044 Uiso 1 1 calc R . . 
H12B H 1.3190 0.5534 -0.0149 0.044 Uiso 1 1 calc R . . 
H12C H 1.3741 0.6070 -0.0627 0.044 Uiso 1 1 calc R . . 
C13 C 1.22714(18) 0.86806(11) -0.02012(10) 0.0250(4) Uani 1 1 d . . . 
H13A H 1.2192 0.8642 -0.0676 0.037 Uiso 1 1 calc R . . 
H13B H 1.2923 0.8996 -0.0043 0.037 Uiso 1 1 calc R . . 
H13C H 1.1576 0.8893 -0.0078 0.037 Uiso 1 1 calc R . . 
C14 C 1.11232(14) 0.96445(10) 0.25444(8) 0.0156(3) Uani 1 1 d . . . 
C15 C 1.12250(15) 0.93096(10) 0.31574(9) 0.0190(3) Uani 1 1 d . . . 
C16 C 1.06895(16) 0.96501(11) 0.36294(9) 0.0212(4) Uani 1 1 d . . . 
H16 H 1.0744 0.9434 0.4049 0.025 Uiso 1 1 calc R . . 
C17 C 1.00760(16) 1.02988(11) 0.35044(10) 0.0218(4) Uani 1 1 d . . . 
C18 C 1.00368(15) 1.06216(10) 0.28944(10) 0.0209(3) Uani 1 1 d . . . 
H18 H 0.9643 1.1074 0.2811 0.025 Uiso 1 1 calc R . . 
C19 C 1.05520(15) 1.03066(10) 0.24028(9) 0.0177(3) Uani 1 1 d . . . 
C20 C 1.18757(16) 0.86021(11) 0.33019(9) 0.0230(3) Uani 1 1 d . . . 
H20A H 1.1696 0.8393 0.3709 0.035 Uiso 1 1 calc R . . 
H20B H 1.2696 0.8700 0.3345 0.035 Uiso 1 1 calc R . . 
H20C H 1.1658 0.8254 0.2946 0.035 Uiso 1 1 calc R . . 
C21 C 0.94695(18) 1.06549(13) 0.40158(11) 0.0297(5) Uani 1 1 d . . . 
H21A H 0.9739 1.0435 0.4441 0.045 Uiso 1 1 calc R . . 
H21B H 0.8646 1.0577 0.3905 0.045 Uiso 1 1 calc R . . 
H21C H 0.9631 1.1183 0.4032 0.045 Uiso 1 1 calc R . . 
C22 C 1.05218(18) 1.06803(11) 0.17559(10) 0.0244(4) Uani 1 1 d . . . 
H22A H 1.1253 1.0925 0.1740 0.037 Uiso 1 1 calc R . . 
H22B H 0.9908 1.1045 0.1699 0.037 Uiso 1 1 calc R . . 
H22C H 1.0385 1.0315 0.1407 0.037 Uiso 1 1 calc R . . 
C23 C 0.90726(14) 0.68303(10) -0.00176(8) 0.0165(3) Uani 1 1 d . . . 
C24 C 0.96722(15) 0.69934(11) -0.05209(9) 0.0187(3) Uani 1 1 d . . . 
C25 C 0.99950(16) 0.64877(11) -0.09545(9) 0.0224(4) Uani 1 1 d . . . 
C26 C 0.97102(17) 0.57635(12) -0.08888(9) 0.0247(4) Uani 1 1 d . . . 
C27 C 0.90494(17) 0.55693(11) -0.04244(10) 0.0221(4) Uani 1 1 d . . . 
C28 C 0.87503(15) 0.60943(11) 0.00008(9) 0.0193(3) Uani 1 1 d . . . 
C29 C 0.83369(14) 0.72089(9) 0.11359(8) 0.0156(3) Uani 1 1 d . . . 
C30 C 0.90313(15) 0.67193(11) 0.15344(9) 0.0205(3) Uani 1 1 d . . . 
C31 C 0.87853(18) 0.64492(12) 0.21230(10) 0.0257(4) Uani 1 1 d . . . 
C32 C 0.78034(18) 0.66764(12) 0.23440(10) 0.0249(4) Uani 1 1 d . . . 
C33 C 0.70921(16) 0.71604(11) 0.19760(9) 0.0208(3) Uani 1 1 d . . . 
C34 C 0.73678(15) 0.74178(10) 0.13916(9) 0.0168(3) Uani 1 1 d . . . 
C35 C 0.78393(14) 0.80161(10) 0.00091(8) 0.0158(3) Uani 1 1 d . . . 
C36 C 0.67565(15) 0.77490(11) -0.02139(9) 0.0187(3) Uani 1 1 d . . . 
C37 C 0.59138(16) 0.81352(13) -0.06009(10) 0.0264(4) Uani 1 1 d . . . 
C38 C 0.61541(18) 0.88403(13) -0.07868(10) 0.0271(4) Uani 1 1 d . . . 
C39 C 0.72229(17) 0.91210(11) -0.06086(9) 0.0230(4) Uani 1 1 d . . . 
C40 C 0.80515(15) 0.87105(10) -0.02300(9) 0.0188(3) Uani 1 1 d . . . 
C41 C 0.91549(14) 0.88486(10) 0.17397(8) 0.0157(3) Uani 1 1 d . . . 
C42 C 0.89112(14) 0.85335(11) 0.23156(9) 0.0188(3) Uani 1 1 d . . . 
C43 C 0.79740(16) 0.87080(12) 0.26028(9) 0.0248(4) Uani 1 1 d . . . 
C44 C 0.72123(15) 0.92232(13) 0.23130(10) 0.0264(4) Uani 1 1 d . . . 
C45 C 0.73976(16) 0.95457(11) 0.17425(10) 0.0239(4) Uani 1 1 d . . . 
C46 C 0.83573(15) 0.93569(10) 0.14698(9) 0.0187(3) Uani 1 1 d . . . 
F24 F 0.99653(10) 0.77029(6) -0.06182(5) 0.0230(2) Uani 1 1 d . . . 
F25 F 1.05780(11) 0.66950(8) -0.14321(6) 0.0328(3) Uani 1 1 d . . . 
F26 F 1.00405(11) 0.52474(7) -0.12858(6) 0.0335(3) Uani 1 1 d . . . 
F27 F 0.87319(11) 0.48672(7) -0.03758(6) 0.0321(3) Uani 1 1 d . . . 
F28 F 0.81183(10) 0.58525(6) 0.04435(6) 0.0259(2) Uani 1 1 d . . . 
F30 F 1.00059(10) 0.64765(7) 0.13466(6) 0.0259(3) Uani 1 1 d . . . 
F31 F 0.95083(12) 0.59882(8) 0.24747(6) 0.0386(3) Uani 1 1 d . . . 
F32 F 0.75537(12) 0.64371(8) 0.29172(6) 0.0384(3) Uani 1 1 d . . . 
F33 F 0.61400(10) 0.73988(7) 0.21936(6) 0.0271(3) Uani 1 1 d . . . 
F34 F 0.66301(9) 0.79154(6) 0.10849(5) 0.0205(2) Uani 1 1 d . . . 
F36 F 0.64771(9) 0.70631(6) -0.00369(6) 0.0244(2) Uani 1 1 d . . . 
F37 F 0.48814(10) 0.78425(9) -0.07889(7) 0.0414(4) Uani 1 1 d . . . 
F38 F 0.53494(11) 0.92429(9) -0.11522(7) 0.0423(4) Uani 1 1 d . . . 
F39 F 0.74675(11) 0.98063(7) -0.08013(6) 0.0324(3) Uani 1 1 d . . . 
F40 F 0.90981(9) 0.90183(6) -0.01094(6) 0.0231(2) Uani 1 1 d . . . 
F42 F 0.96164(10) 0.80144(7) 0.26200(6) 0.0246(2) Uani 1 1 d . . . 
F43 F 0.77855(11) 0.83685(8) 0.31527(6) 0.0374(3) Uani 1 1 d . . . 
F44 F 0.62850(10) 0.94001(8) 0.25851(7) 0.0404(4) Uani 1 1 d . . . 
F45 F 0.66429(10) 1.00346(7) 0.14449(7) 0.0349(3) Uani 1 1 d . . . 
F46 F 0.84942(10) 0.97122(7) 0.09138(6) 0.0257(2) Uani 1 1 d . . . 
  
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 0.00961(2) 0.01317(2) 0.01443(2) 0.00003(2) 0.00215(2) 0.00074(2) 
O1 0.0127(5) 0.0201(6) 0.0177(6) -0.0055(5) 0.0029(4) -0.0030(4) 
N1 0.0130(6) 0.0137(6) 0.0157(6) 0.0009(5) 0.0022(5) 0.0012(5) 
N2 0.0138(6) 0.0142(6) 0.0162(6) -0.0013(5) 0.0026(5) 0.0001(5) 
B1 0.0123(7) 0.0165(9) 0.0163(8) -0.0009(6) 0.0027(6) -0.0002(6) 
C1 0.0135(7) 0.0163(7) 0.0185(8) 0.0003(6) 0.0018(6) 0.0015(6) 
C2 0.0138(7) 0.0173(8) 0.0186(8) -0.0003(6) 0.0000(6) 0.0020(6) 
C3 0.0119(7) 0.0285(10) 0.0297(10) -0.0042(7) 0.0042(7) -0.0003(7) 
C4 0.0171(8) 0.0272(10) 0.0252(10) -0.0063(7) 0.0010(7) -0.0060(7) 
C5 0.0120(6) 0.0156(7) 0.0176(7) -0.0006(6) 0.0040(5) 0.0004(5) 
C6 0.0161(7) 0.0179(8) 0.0199(8) 0.0015(6) 0.0044(6) 0.0019(6) 
C7 0.0229(9) 0.0192(9) 0.0234(9) -0.0007(6) 0.0049(7) 0.0036(7) 
C8 0.0201(8) 0.0215(9) 0.0243(9) -0.0038(7) 0.0061(7) 0.0031(7) 
C9 0.0210(8) 0.0230(9) 0.0198(8) -0.0012(7) 0.0068(7) -0.0001(7) 
C10 0.0155(7) 0.0201(8) 0.0192(8) 0.0009(6) 0.0060(6) 0.0000(6) 
C11 0.0315(10) 0.0215(9) 0.0211(9) 0.0029(7) 0.0041(8) 0.0062(8) 
C12 0.0348(11) 0.0254(11) 0.0296(11) -0.0060(8) 0.0099(9) 0.0071(9) 
C13 0.0311(10) 0.0225(10) 0.0224(9) 0.0044(7) 0.0073(7) -0.0001(8) 
C14 0.0138(7) 0.0160(8) 0.0170(7) -0.0038(6) 0.0024(6) -0.0007(6) 
C15 0.0161(7) 0.0191(8) 0.0213(8) -0.0007(6) 0.0008(6) -0.0032(6) 
C16 0.0218(8) 0.0237(9) 0.0190(8) -0.0025(7) 0.0058(7) -0.0049(7) 
C17 0.0191(8) 0.0228(9) 0.0245(9) -0.0069(7) 0.0071(7) -0.0046(7) 
C18 0.0175(8) 0.0173(8) 0.0287(10) -0.0040(7) 0.0058(7) 0.0011(6) 
C19 0.0161(7) 0.0171(8) 0.0202(8) -0.0019(6) 0.0040(6) -0.0012(6) 
C20 0.0240(8) 0.0233(9) 0.0208(8) 0.0020(8) 0.0008(6) 0.0010(8) 
C21 0.0283(10) 0.0339(12) 0.0301(11) -0.0079(9) 0.0151(9) -0.0012(9) 
C22 0.0277(10) 0.0216(9) 0.0246(10) 0.0030(7) 0.0064(8) 0.0052(8) 
C23 0.0135(7) 0.0188(8) 0.0168(8) -0.0019(6) 0.0009(6) 0.0008(6) 
C24 0.0154(7) 0.0213(9) 0.0190(8) -0.0011(6) 0.0018(6) 0.0003(6) 
C25 0.0196(8) 0.0299(11) 0.0184(8) -0.0058(7) 0.0048(6) 0.0023(7) 
C26 0.0250(9) 0.0288(10) 0.0187(9) -0.0074(7) -0.0020(7) 0.0085(8) 
C27 0.0226(9) 0.0189(9) 0.0234(9) -0.0044(7) -0.0013(7) 0.0032(7) 
C28 0.0174(8) 0.0201(8) 0.0204(8) -0.0014(6) 0.0030(6) 0.0006(6) 
C29 0.0145(7) 0.0139(7) 0.0183(8) -0.0003(6) 0.0024(6) 0.0003(6) 
C30 0.0166(7) 0.0224(9) 0.0224(9) 0.0014(7) 0.0034(7) 0.0010(7) 
C31 0.0285(9) 0.0255(10) 0.0215(9) 0.0080(8) -0.0010(7) 0.0026(8) 
C32 0.0303(10) 0.0259(10) 0.0195(9) 0.0064(7) 0.0068(8) -0.0018(8) 
C33 0.0209(8) 0.0214(9) 0.0213(9) 0.0003(7) 0.0078(7) -0.0027(7) 
C34 0.0180(7) 0.0150(8) 0.0175(8) 0.0017(6) 0.0029(6) 0.0007(6) 
C35 0.0151(7) 0.0183(8) 0.0145(7) -0.0006(6) 0.0041(6) 0.0008(6) 
C36 0.0152(7) 0.0218(9) 0.0191(8) 0.0009(6) 0.0024(6) -0.0004(6) 
C37 0.0142(8) 0.0375(12) 0.0268(10) 0.0041(9) 0.0004(7) 0.0003(8) 
C38 0.0233(9) 0.0347(11) 0.0228(10) 0.0088(8) 0.0021(7) 0.0107(8) 
C39 0.0275(9) 0.0201(9) 0.0227(9) 0.0056(7) 0.0075(7) 0.0060(7) 
C40 0.0187(7) 0.0202(9) 0.0181(8) -0.0001(6) 0.0049(6) 0.0009(6) 
C41 0.0116(6) 0.0189(8) 0.0168(7) -0.0022(6) 0.0029(5) -0.0007(6) 
C42 0.0141(7) 0.0232(9) 0.0194(8) -0.0036(7) 0.0038(6) -0.0020(6) 
C43 0.0182(8) 0.0377(12) 0.0198(8) -0.0087(8) 0.0071(6) -0.0067(8) 
C44 0.0130(7) 0.0384(12) 0.0293(10) -0.0150(9) 0.0084(7) -0.0022(8) 
C45 0.0140(7) 0.0254(10) 0.0313(10) -0.0096(8) 0.0004(7) 0.0027(7) 
C46 0.0146(7) 0.0206(9) 0.0206(8) -0.0044(6) 0.0018(6) 0.0016(6) 
F24 0.0234(6) 0.0237(6) 0.0234(6) -0.0017(4) 0.0089(4) -0.0031(5) 
F25 0.0315(7) 0.0450(8) 0.0250(6) -0.0082(6) 0.0142(5) 0.0011(6) 
F26 0.0385(7) 0.0329(7) 0.0290(7) -0.0140(5) 0.0044(6) 0.0115(6) 
F27 0.0416(8) 0.0180(6) 0.0352(7) -0.0058(5) 0.0012(6) 0.0012(5) 
F28 0.0297(6) 0.0207(6) 0.0289(6) -0.0001(5) 0.0097(5) -0.0034(5) 
F30 0.0192(5) 0.0292(7) 0.0292(6) 0.0025(5) 0.0031(4) 0.0095(5) 
F31 0.0408(8) 0.0412(8) 0.0324(7) 0.0187(6) 0.0002(6) 0.0149(7) 
F32 0.0449(8) 0.0463(9) 0.0264(7) 0.0170(6) 0.0133(6) 0.0035(7) 
F33 0.0251(6) 0.0314(7) 0.0281(6) 0.0027(5) 0.0152(5) 0.0003(5) 
F34 0.0176(5) 0.0208(5) 0.0242(6) 0.0033(4) 0.0071(4) 0.0049(4) 
F36 0.0188(5) 0.0245(6) 0.0290(6) 0.0016(5) 0.0005(4) -0.0060(5) 
F37 0.0153(5) 0.0614(10) 0.0442(9) 0.0119(7) -0.0062(5) -0.0041(6) 
F38 0.0291(7) 0.0533(9) 0.0424(8) 0.0207(7) -0.0011(6) 0.0179(7) 
F39 0.0414(8) 0.0212(6) 0.0362(7) 0.0110(5) 0.0107(6) 0.0063(5) 
F40 0.0221(5) 0.0208(6) 0.0269(6) 0.0015(4) 0.0051(5) -0.0054(4) 
F42 0.0231(6) 0.0280(6) 0.0231(6) 0.0052(5) 0.0052(4) 0.0010(5) 
F43 0.0320(7) 0.0583(9) 0.0253(7) 0.0002(6) 0.0153(6) -0.0087(7) 
F44 0.0181(6) 0.0609(10) 0.0460(8) -0.0186(7) 0.0167(6) 0.0022(6) 
F45 0.0188(6) 0.0367(8) 0.0473(8) -0.0080(6) -0.0014(5) 0.0145(5) 
F46 0.0243(6) 0.0257(6) 0.0265(6) 0.0033(5) 0.0020(5) 0.0070(5) 
  
_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 N2 1.9766(14) . yes
Pt1 C41 2.0187(17) . yes 
Pt1 N1 2.0542(14) . yes
Pt1 O1 2.0577(12) . yes
O1 B1 1.533(2) . ? 
N1 C1 1.297(2) . ? 
N1 C5 1.442(2) . ? 
N2 C2 1.306(2) . ? 
N2 C14 1.453(2) . ? 
B1 C29 1.637(3) . ? 
B1 C35 1.637(3) . ? 
B1 C23 1.657(3) . ? 
C1 C2 1.482(2) . ? 
C1 C3 1.494(2) . ? 
C2 C4 1.486(2) . ? 
C5 C10 1.398(2) . ? 
C5 C6 1.400(2) . ? 
C6 C7 1.387(3) . ? 
C6 C11 1.511(3) . ? 
C7 C8 1.397(3) . ? 
C8 C9 1.391(3) . ? 
C8 C12 1.506(3) . ? 
C9 C10 1.393(3) . ? 
C10 C13 1.510(3) . ? 
C14 C19 1.393(2) . ? 
C14 C15 1.402(2) . ? 
C15 C16 1.392(3) . ? 
C15 C20 1.509(3) . ? 
C16 C17 1.392(3) . ? 
C17 C18 1.393(3) . ? 
C17 C21 1.515(3) . ? 
C18 C19 1.390(2) . ? 
C19 C22 1.503(3) . ? 
C23 C24 1.382(2) . ? 
C23 C28 1.396(3) . ? 
C24 F24 1.361(2) . ? 
C24 C25 1.382(3) . ? 
C25 F25 1.346(2) . ? 
C25 C26 1.374(3) . ? 
C26 F26 1.347(2) . ? 
C26 C27 1.377(3) . ? 
C27 F27 1.341(2) . ? 
C27 C28 1.384(3) . ? 
C28 F28 1.345(2) . ? 
C29 C34 1.389(2) . ? 
C29 C30 1.399(2) . ? 
C30 F30 1.349(2) . ? 
C30 C31 1.390(3) . ? 
C31 F31 1.338(2) . ? 
C31 C32 1.378(3) . ? 
C32 F32 1.343(2) . ? 
C32 C33 1.372(3) . ? 
C33 F33 1.349(2) . ? 
C33 C34 1.386(2) . ? 
C34 F34 1.352(2) . ? 
C35 C36 1.387(2) . ? 
C35 C40 1.396(2) . ? 
C36 F36 1.357(2) . ? 
C36 C37 1.380(3) . ? 
C37 F37 1.340(2) . ? 
C37 C38 1.383(3) . ? 
C38 F38 1.346(2) . ? 
C38 C39 1.366(3) . ? 
C39 F39 1.356(2) . ? 
C39 C40 1.384(3) . ? 
C40 F40 1.351(2) . ? 
C41 C46 1.382(2) . ? 
C41 C42 1.396(2) . ? 
C42 F42 1.356(2) . ? 
C42 C43 1.375(3) . ? 
C43 F43 1.348(2) . ? 
C43 C44 1.378(3) . ? 
C44 F44 1.349(2) . ? 
C44 C45 1.370(3) . ? 
C45 F45 1.347(2) . ? 
C45 C46 1.388(3) . ? 
C46 F46 1.356(2) . ? 
  
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 
N2 Pt1 C41 94.67(6) . . yes 
N2 Pt1 N1 78.63(6) . . yes
C41 Pt1 N1 173.07(6) . . yes 
N2 Pt1 O1 170.26(5) . . yes
C41 Pt1 O1 94.98(6) . . yes
N1 Pt1 O1 91.77(5) . . yes
B1 O1 Pt1 140.89(10) . . ? 
C1 N1 C5 121.46(14) . . ? 
C1 N1 Pt1 115.18(12) . . ? 
C5 N1 Pt1 122.84(11) . . ? 
C2 N2 C14 120.24(14) . . ? 
C2 N2 Pt1 117.11(12) . . ? 
C14 N2 Pt1 122.64(11) . . ? 
O1 B1 C29 105.24(13) . . ? 
O1 B1 C35 111.95(14) . . ? 
C29 B1 C35 114.58(14) . . ? 
O1 B1 C23 106.11(13) . . ? 
C29 B1 C23 113.76(15) . . ? 
C35 B1 C23 105.02(14) . . ? 
N1 C1 C2 114.08(15) . . ? 
N1 C1 C3 124.93(16) . . ? 
C2 C1 C3 120.86(16) . . ? 
N2 C2 C1 114.55(15) . . ? 
N2 C2 C4 124.68(16) . . ? 
C1 C2 C4 120.70(15) . . ? 
C10 C5 C6 122.79(16) . . ? 
C10 C5 N1 120.11(15) . . ? 
C6 C5 N1 117.00(15) . . ? 
C7 C6 C5 117.52(17) . . ? 
C7 C6 C11 120.96(17) . . ? 
C5 C6 C11 121.52(16) . . ? 
C6 C7 C8 121.87(18) . . ? 
C9 C8 C7 118.52(17) . . ? 
C9 C8 C12 121.06(18) . . ? 
C7 C8 C12 120.42(18) . . ? 
C8 C9 C10 122.07(18) . . ? 
C9 C10 C5 117.22(17) . . ? 
C9 C10 C13 121.52(17) . . ? 
C5 C10 C13 121.26(16) . . ? 
C19 C14 C15 122.86(16) . . ? 
C19 C14 N2 119.30(16) . . ? 
C15 C14 N2 117.73(16) . . ? 
C16 C15 C14 117.41(17) . . ? 
C16 C15 C20 120.90(17) . . ? 
C14 C15 C20 121.68(17) . . ? 
C15 C16 C17 121.82(18) . . ? 
C16 C17 C18 118.33(17) . . ? 
C16 C17 C21 121.45(19) . . ? 
C18 C17 C21 120.22(19) . . ? 
C19 C18 C17 122.44(18) . . ? 
C18 C19 C14 117.06(17) . . ? 
C18 C19 C22 121.08(17) . . ? 
C14 C19 C22 121.83(16) . . ? 
C24 C23 C28 113.63(16) . . ? 
C24 C23 B1 119.19(16) . . ? 
C28 C23 B1 127.12(15) . . ? 
F24 C24 C23 119.21(16) . . ? 
F24 C24 C25 115.74(16) . . ? 
C23 C24 C25 125.04(18) . . ? 
F25 C25 C26 120.25(17) . . ? 
F25 C25 C24 121.11(18) . . ? 
C26 C25 C24 118.63(18) . . ? 
F26 C26 C25 120.74(19) . . ? 
F26 C26 C27 119.86(19) . . ? 
C25 C26 C27 119.37(18) . . ? 
F27 C27 C26 119.55(17) . . ? 
F27 C27 C28 120.62(18) . . ? 
C26 C27 C28 119.80(19) . . ? 
F28 C28 C27 115.65(17) . . ? 
F28 C28 C23 121.06(16) . . ? 
C27 C28 C23 123.29(18) . . ? 
C34 C29 C30 113.31(16) . . ? 
C34 C29 B1 127.86(15) . . ? 
C30 C29 B1 118.74(15) . . ? 
F30 C30 C31 116.11(17) . . ? 
F30 C30 C29 119.49(17) . . ? 
C31 C30 C29 124.40(17) . . ? 
F31 C31 C32 120.76(18) . . ? 
F31 C31 C30 120.16(19) . . ? 
C32 C31 C30 119.07(18) . . ? 
F32 C32 C33 120.34(19) . . ? 
F32 C32 C31 120.48(18) . . ? 
C33 C32 C31 119.16(18) . . ? 
F33 C33 C32 119.72(17) . . ? 
F33 C33 C34 120.21(17) . . ? 
C32 C33 C34 120.05(17) . . ? 
F34 C34 C33 114.83(15) . . ? 
F34 C34 C29 121.15(15) . . ? 
C33 C34 C29 123.99(17) . . ? 
C36 C35 C40 113.94(16) . . ? 
C36 C35 B1 119.93(16) . . ? 
C40 C35 B1 125.98(15) . . ? 
F36 C36 C37 116.27(16) . . ? 
F36 C36 C35 118.90(16) . . ? 
C37 C36 C35 124.81(18) . . ? 
F37 C37 C36 121.3(2) . . ? 
F37 C37 C38 120.36(18) . . ? 
C36 C37 C38 118.36(18) . . ? 
F38 C38 C39 120.1(2) . . ? 
F38 C38 C37 120.37(19) . . ? 
C39 C38 C37 119.55(18) . . ? 
F39 C39 C38 119.68(18) . . ? 
F39 C39 C40 120.04(18) . . ? 
C38 C39 C40 120.27(19) . . ? 
F40 C40 C39 115.89(17) . . ? 
F40 C40 C35 121.29(16) . . ? 
C39 C40 C35 122.81(17) . . ? 
C46 C41 C42 114.03(16) . . ? 
C46 C41 Pt1 125.71(13) . . ? 
C42 C41 Pt1 120.10(13) . . ? 
F42 C42 C43 116.18(17) . . ? 
F42 C42 C41 119.69(15) . . ? 
C43 C42 C41 124.13(18) . . ? 
F43 C43 C42 120.60(19) . . ? 
F43 C43 C44 120.21(18) . . ? 
C42 C43 C44 119.18(19) . . ? 
F44 C44 C45 120.4(2) . . ? 
F44 C44 C43 120.1(2) . . ? 
C45 C44 C43 119.45(17) . . ? 
F45 C45 C44 120.02(17) . . ? 
F45 C45 C46 120.38(19) . . ? 
C44 C45 C46 119.59(19) . . ? 
F46 C46 C41 120.32(15) . . ? 
F46 C46 C45 116.05(17) . . ? 
C41 C46 C45 123.62(18) . . ? 
  
_diffrn_measured_fraction_theta_max    0.892 
_diffrn_reflns_theta_full              48.91 
_diffrn_measured_fraction_theta_full   0.892 
_refine_diff_density_max    3.855 
_refine_diff_density_min   -3.460 
_refine_diff_density_rms    0.194