 
data_gbg1026 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C40 H56 N2 O4 Pt'
_chemical_formula_sum 
 'C40 H56 N2 O4 Pt' 
_chemical_formula_weight          823.96 
 
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            orthorhombic
_symmetry_space_group_name_H-M    'P 21 21 21'
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 'x+1/2, -y+1/2, -z' 
 '-x, y+1/2, -z+1/2' 
 
_cell_length_a                    11.4900(10) 
_cell_length_b                    17.5660(10) 
_cell_length_c                    19.3040(10) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      3896.2(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     193(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.40 
_exptl_crystal_size_mid           0.40 
_exptl_crystal_size_min           0.40 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.405 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1680 
_exptl_absorpt_coefficient_mu     3.641 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   0.3237 
_exptl_absorpt_correction_T_max   0.3237 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       193(2) 
_diffrn_radiation_wavelength      0.71069 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             6816 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0321 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        21 
_diffrn_reflns_limit_l_min        -21 
_diffrn_reflns_limit_l_max        21 
_diffrn_reflns_theta_min          2.55 
_diffrn_reflns_theta_max          25.34 
_reflns_number_total              6816 
_reflns_number_gt                 6688 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0325P)²+3.5176P] where P=(Fo²+2Fc²)/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      SHELXL 
_refine_ls_extinction_coef        0.0083(3) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.010(8) 
_refine_ls_number_reflns          6816 
_refine_ls_number_parameters      435 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0278 
_refine_ls_R_factor_gt            0.0273 
_refine_ls_wR_factor_ref          0.0793 
_refine_ls_wR_factor_gt           0.0789 
_refine_ls_goodness_of_fit_ref    1.217 
_refine_ls_restrained_S_all       1.217 
_refine_ls_shift/su_max           0.001 
_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 
Pt51 Pt 0.192132(13) 0.002817(9) 0.366105(8) 0.03856(9) Uani 1 1 d . . . 
O2 O 0.3879(5) 0.2220(3) 0.4462(3) 0.0753(13) Uani 1 1 d . . . 
O4 O 0.3831(4) 0.3003(2) 0.3028(2) 0.0674(11) Uani 1 1 d . . . 
O1 O 0.5415(4) 0.1817(3) 0.3849(3) 0.0845(15) Uani 1 1 d . . . 
O3 O 0.3413(6) 0.2221(3) 0.2168(3) 0.0914(17) Uani 1 1 d . . . 
C4 C 0.0716(4) -0.0791(2) 0.3384(2) 0.0346(9) Uani 1 1 d . . . 
C35 C 0.3488(5) -0.0476(3) 0.3268(4) 0.0588(15) Uani 1 1 d . . . 
H35A H 0.3822 -0.0900 0.3542 0.071 Uiso 1 1 calc R . . 
H35B H 0.3527 -0.0558 0.2762 0.071 Uiso 1 1 calc R . . 
C28 C 0.1117(10) -0.2743(5) 0.4641(8) 0.132(4) Uani 1 1 d . . . 
H28A H 0.0454 -0.2801 0.4326 0.198 Uiso 1 1 calc R . . 
H28B H 0.0881 -0.2888 0.5111 0.198 Uiso 1 1 calc R . . 
H28C H 0.1756 -0.3071 0.4488 0.198 Uiso 1 1 calc R . . 
C21 C -0.0678(7) 0.0093(5) 0.1534(6) 0.115(3) Uani 1 1 d . . . 
H21A H -0.0541 0.0089 0.1033 0.173 Uiso 1 1 calc R . . 
H21B H -0.1271 0.0475 0.1646 0.173 Uiso 1 1 calc R . . 
H21C H -0.0948 -0.0410 0.1683 0.173 Uiso 1 1 calc R . . 
C15 C 0.0422(7) -0.1360(4) 0.5646(3) 0.0713(18) Uani 1 1 d . . . 
H15 H 0.0956 -0.1612 0.5943 0.086 Uiso 1 1 calc R . . 
C23 C 0.3264(8) -0.2529(4) 0.2787(5) 0.087(2) Uani 1 1 d . . . 
H23A H 0.3858 -0.2554 0.2424 0.131 Uiso 1 1 calc R . . 
H23B H 0.3219 -0.3022 0.3025 0.131 Uiso 1 1 calc R . . 
H23C H 0.3472 -0.2132 0.3122 0.131 Uiso 1 1 calc R . . 
N2 N 0.0542(3) -0.1080(2) 0.2744(2) 0.0384(8) Uani 1 1 d . . . 
C38 C 0.5003(8) 0.1780(6) 0.5444(4) 0.098(3) Uani 1 1 d . . . 
H38A H 0.4294 0.1526 0.5606 0.147 Uiso 1 1 calc R . . 
H38B H 0.5457 0.1953 0.5843 0.147 Uiso 1 1 calc R . . 
H38C H 0.5468 0.1422 0.5170 0.147 Uiso 1 1 calc R . . 
C37 C 0.4693(10) 0.2425(5) 0.5020(5) 0.097(3) Uani 1 1 d . . . 
H37A H 0.5408 0.2643 0.4814 0.116 Uiso 1 1 calc R . . 
H37B H 0.4333 0.2821 0.5316 0.116 Uiso 1 1 calc R . . 
C11 C -0.0242(5) -0.1032(3) 0.4522(3) 0.0435(11) Uani 1 1 d . . . 
C34 C 0.3729(4) 0.0280(3) 0.3511(4) 0.0526(14) Uani 1 1 d . . . 
H34 H 0.3811 0.0365 0.3994 0.063 Uiso 1 1 calc R . . 
C31 C 0.1858(5) 0.1140(3) 0.4089(3) 0.0471(11) Uani 1 1 d . . . 
H31 H 0.2410 0.0973 0.4423 0.057 Uiso 1 1 calc R . . 
C32 C 0.0720(5) 0.0817(3) 0.4090(3) 0.0533(13) Uani 1 1 d . . . 
H32A H 0.0148 0.1043 0.3766 0.064 Uiso 1 1 calc R . . 
H32B H 0.0387 0.0686 0.4548 0.064 Uiso 1 1 calc R . . 
N1 N -0.0132(3) -0.1114(2) 0.3781(2) 0.0372(8) Uani 1 1 d . . . 
C30 C 0.2210(5) 0.1741(3) 0.3571(3) 0.0490(12) Uani 1 1 d . . . 
H30A H 0.2051 0.2247 0.3776 0.059 Uiso 1 1 calc R . . 
H30B H 0.1709 0.1688 0.3156 0.059 Uiso 1 1 calc R . . 
C6 C 0.1330(4) -0.0335(3) 0.1782(3) 0.0494(12) Uani 1 1 d . . . 
C2 C -0.0808(4) -0.1600(3) 0.3390(3) 0.0458(11) Uani 1 1 d . . . 
H2 H -0.1442 -0.1897 0.3553 0.055 Uiso 1 1 calc R . . 
C16 C 0.0557(5) -0.1416(3) 0.4939(3) 0.0492(12) Uani 1 1 d . . . 
C5 C 0.1340(4) -0.1007(3) 0.2176(3) 0.0412(10) Uani 1 1 d . . . 
C39 C 0.3588(5) 0.2333(3) 0.2772(3) 0.0531(14) Uani 1 1 d . . . 
C12 C -0.1159(5) -0.0600(3) 0.4788(3) 0.0545(13) Uani 1 1 d . . . 
C29 C 0.3493(5) 0.1721(3) 0.3334(3) 0.0500(12) Uani 1 1 d . . . 
C10 C 0.2090(5) -0.1614(3) 0.2048(3) 0.0498(12) Uani 1 1 d . . . 
C19 C -0.2018(5) -0.0171(4) 0.4337(4) 0.0717(18) Uani 1 1 d . . . 
H19 H -0.1666 -0.0116 0.3866 0.086 Uiso 1 1 calc R . . 
C9 C 0.2902(5) -0.1520(4) 0.1505(3) 0.0590(14) Uani 1 1 d . . . 
H9 H 0.3429 -0.1920 0.1400 0.071 Uiso 1 1 calc R . . 
C20 C 0.1519(5) -0.1914(3) 0.4639(4) 0.0610(15) Uani 1 1 d . . . 
H20 H 0.1634 -0.1759 0.4146 0.073 Uiso 1 1 calc R . . 
C36 C 0.4392(6) 0.1920(3) 0.3910(3) 0.0619(15) Uani 1 1 d . . . 
C7 C 0.2171(5) -0.0275(4) 0.1254(3) 0.0617(14) Uani 1 1 d . . . 
H7 H 0.2211 0.0175 0.0982 0.074 Uiso 1 1 calc R . . 
C17 C 0.0432(5) 0.0286(3) 0.1903(3) 0.0586(14) Uani 1 1 d . . . 
H17 H 0.0254 0.0287 0.2410 0.070 Uiso 1 1 calc R . . 
C3 C -0.0412(5) -0.1577(3) 0.2746(3) 0.0491(12) Uani 1 1 d . . . 
H3 H -0.0717 -0.1846 0.2359 0.059 Uiso 1 1 calc R . . 
C13 C -0.1264(7) -0.0580(4) 0.5503(4) 0.0704(18) Uani 1 1 d . . . 
H13 H -0.1894 -0.0309 0.5704 0.085 Uiso 1 1 calc R . . 
C24 C 0.1681(8) -0.3012(4) 0.2020(5) 0.092(2) Uani 1 1 d . . . 
H24A H 0.0860 -0.2947 0.1896 0.138 Uiso 1 1 calc R . . 
H24B H 0.1777 -0.3485 0.2283 0.138 Uiso 1 1 calc R . . 
H24C H 0.2153 -0.3036 0.1598 0.138 Uiso 1 1 calc R . . 
C18 C 0.2075(6) -0.2342(3) 0.2461(3) 0.0586(14) Uani 1 1 d . . . 
H18 H 0.1500 -0.2278 0.2845 0.070 Uiso 1 1 calc R . . 
C33 C 0.3854(5) 0.0941(3) 0.3025(3) 0.0568(14) Uani 1 1 d . . . 
H33A H 0.3376 0.0842 0.2609 0.068 Uiso 1 1 calc R . . 
H33B H 0.4677 0.0972 0.2875 0.068 Uiso 1 1 calc R . . 
C14 C -0.0477(7) -0.0944(4) 0.5931(4) 0.0759(19) Uani 1 1 d . . . 
H14 H -0.0555 -0.0907 0.6420 0.091 Uiso 1 1 calc R . . 
C8 C 0.2940(6) -0.0866(4) 0.1129(3) 0.0647(15) Uani 1 1 d . . . 
H8 H 0.3506 -0.0813 0.0773 0.078 Uiso 1 1 calc R . . 
C26 C -0.2282(8) 0.0629(5) 0.4610(6) 0.101(3) Uani 1 1 d . . . 
H26A H -0.2758 0.0591 0.5030 0.152 Uiso 1 1 calc R . . 
H26B H -0.2706 0.0918 0.4257 0.152 Uiso 1 1 calc R . . 
H26C H -0.1551 0.0890 0.4719 0.152 Uiso 1 1 calc R . . 
C41 C 0.3894(10) 0.4337(4) 0.2929(5) 0.105(3) Uani 1 1 d D . . 
H41A H 0.3142 0.4409 0.3160 0.158 Uiso 1 1 calc R . . 
H41B H 0.4041 0.4766 0.2616 0.158 Uiso 1 1 calc R . . 
H41C H 0.4512 0.4311 0.3278 0.158 Uiso 1 1 calc R . . 
C22 C 0.0863(8) 0.1083(4) 0.1720(4) 0.0790(19) Uani 1 1 d . . . 
H22A H 0.0848 0.1149 0.1216 0.118 Uiso 1 1 calc R . . 
H22B H 0.1661 0.1148 0.1889 0.118 Uiso 1 1 calc R . . 
H22C H 0.0357 0.1463 0.1937 0.118 Uiso 1 1 calc R . . 
C25 C -0.3158(7) -0.0619(5) 0.4259(5) 0.090(2) Uani 1 1 d . . . 
H25A H -0.3534 -0.0667 0.4712 0.135 Uiso 1 1 calc R . . 
H25B H -0.2988 -0.1127 0.4075 0.135 Uiso 1 1 calc R . . 
H25C H -0.3677 -0.0349 0.3940 0.135 Uiso 1 1 calc R . . 
C27 C 0.2665(8) -0.1829(8) 0.5001(6) 0.134(5) Uani 1 1 d . . . 
H27A H 0.2916 -0.1296 0.4979 0.201 Uiso 1 1 calc R . . 
H27B H 0.3246 -0.2152 0.4775 0.201 Uiso 1 1 calc R . . 
H27C H 0.2582 -0.1982 0.5487 0.201 Uiso 1 1 calc R . . 
C40 C 0.3873(7) 0.3639(3) 0.2537(3) 0.0733(19) Uani 1 1 d D . . 
H40A H 0.4578 0.3601 0.2245 0.088 Uiso 1 1 calc R . . 
H40B H 0.3181 0.3628 0.2232 0.088 Uiso 1 1 calc R . . 
 
 
_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 
Pt51 C4 2.067(4) . ? 
Pt51 C31 2.122(4) . ? 
Pt51 C32 2.123(5) . ? 
Pt51 C34 2.143(5) . ? 
Pt51 C35 2.144(5) . ? 
O2 C36 1.327(8) . ? 
O2 C37 1.472(9) . ? 
O4 C39 1.307(7) . ? 
O4 C40 1.466(7) . ? 
O1 C36 1.195(8) . ? 
O3 C39 1.200(8) . ? 
C4 N2 1.351(6) . ? 
C4 N1 1.363(6) . ? 
C35 C34 1.436(7) . ? 
C35 H35A 0.9900 . ? 
C35 H35B 0.9900 . ? 
C28 C20 1.528(10) . ? 
C28 H28A 0.9800 . ? 
C28 H28B 0.9800 . ? 
C28 H28C 0.9800 . ? 
C21 C17 1.499(9) . ? 
C21 H21A 0.9800 . ? 
C21 H21B 0.9800 . ? 
C21 H21C 0.9800 . ? 
C15 C16 1.377(8) . ? 
C15 C14 1.380(11) . ? 
C15 H15 0.9500 . ? 
C23 C18 1.541(11) . ? 
C23 H23A 0.9800 . ? 
C23 H23B 0.9800 . ? 
C23 H23C 0.9800 . ? 
N2 C3 1.402(6) . ? 
N2 C5 1.435(6) . ? 
C38 C37 1.442(12) . ? 
C38 H38A 0.9800 . ? 
C38 H38B 0.9800 . ? 
C38 H38C 0.9800 . ? 
C37 H37A 0.9900 . ? 
C37 H37B 0.9900 . ? 
C11 C16 1.395(7) . ? 
C11 C12 1.397(8) . ? 
C11 N1 1.443(6) . ? 
C34 C33 1.498(9) . ? 
C34 H34 0.9500 . ? 
C31 C32 1.427(8) . ? 
C31 C30 1.509(7) . ? 
C31 H31 0.9500 . ? 
C32 H32A 0.9900 . ? 
C32 H32B 0.9900 . ? 
N1 C2 1.378(6) . ? 
C30 C29 1.544(7) . ? 
C30 H30A 0.9900 . ? 
C30 H30B 0.9900 . ? 
C6 C5 1.405(7) . ? 
C6 C7 1.408(8) . ? 
C6 C17 1.520(8) . ? 
C2 C3 1.325(8) . ? 
C2 H2 0.9500 . ? 
C16 C20 1.524(8) . ? 
C5 C10 1.393(7) . ? 
C39 C29 1.532(8) . ? 
C12 C13 1.387(9) . ? 
C12 C19 1.516(8) . ? 
C29 C33 1.551(8) . ? 
C29 C36 1.557(9) . ? 
C10 C9 1.414(8) . ? 
C10 C18 1.506(8) . ? 
C19 C26 1.531(10) . ? 
C19 C25 1.535(11) . ? 
C19 H19 1.0000 . ? 
C9 C8 1.359(9) . ? 
C9 H9 0.9500 . ? 
C20 C27 1.497(10) . ? 
C20 H20 1.0000 . ? 
C7 C8 1.385(10) . ? 
C7 H7 0.9500 . ? 
C17 C22 1.526(9) . ? 
C17 H17 1.0000 . ? 
C3 H3 0.9500 . ? 
C13 C14 1.381(11) . ? 
C13 H13 0.9500 . ? 
C24 C18 1.521(9) . ? 
C24 H24A 0.9800 . ? 
C24 H24B 0.9800 . ? 
C24 H24C 0.9800 . ? 
C18 H18 1.0000 . ? 
C33 H33A 0.9900 . ? 
C33 H33B 0.9900 . ? 
C14 H14 0.9500 . ? 
C8 H8 0.9500 . ? 
C26 H26A 0.9800 . ? 
C26 H26B 0.9800 . ? 
C26 H26C 0.9800 . ? 
C41 C40 1.441(10) . ? 
C41 H41A 0.9800 . ? 
C41 H41B 0.9800 . ? 
C41 H41C 0.9800 . ? 
C22 H22A 0.9800 . ? 
C22 H22B 0.9800 . ? 
C22 H22C 0.9800 . ? 
C25 H25A 0.9800 . ? 
C25 H25B 0.9800 . ? 
C25 H25C 0.9800 . ? 
C27 H27A 0.9800 . ? 
C27 H27B 0.9800 . ? 
C27 H27C 0.9800 . ? 
C40 H40A 0.9900 . ? 
C40 H40B 0.9900 . ? 
 
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 
C4 Pt51 C31 135.92(19) . . ? 
C4 Pt51 C32 96.8(2) . . ? 
C31 Pt51 C32 39.3(2) . . ? 
C4 Pt51 C34 139.31(19) . . ? 
C31 Pt51 C34 84.0(2) . . ? 
C32 Pt51 C34 123.2(2) . . ? 
C4 Pt51 C35 100.6(2) . . ? 
C31 Pt51 C35 123.1(2) . . ? 
C32 Pt51 C35 162.3(2) . . ? 
C34 Pt51 C35 39.1(2) . . ? 
C36 O2 C37 113.7(6) . . ? 
C39 O4 C40 116.6(5) . . ? 
N2 C4 N1 104.5(4) . . ? 
N2 C4 Pt51 126.7(3) . . ? 
N1 C4 Pt51 128.6(3) . . ? 
C34 C35 Pt51 70.4(3) . . ? 
C34 C35 H35A 116.6 . . ? 
Pt51 C35 H35A 116.6 . . ? 
C34 C35 H35B 116.6 . . ? 
Pt51 C35 H35B 116.6 . . ? 
H35A C35 H35B 113.6 . . ? 
C20 C28 H28A 109.5 . . ? 
C20 C28 H28B 109.5 . . ? 
H28A C28 H28B 109.5 . . ? 
C20 C28 H28C 109.5 . . ? 
H28A C28 H28C 109.5 . . ? 
H28B C28 H28C 109.5 . . ? 
C17 C21 H21A 109.5 . . ? 
C17 C21 H21B 109.5 . . ? 
H21A C21 H21B 109.5 . . ? 
C17 C21 H21C 109.5 . . ? 
H21A C21 H21C 109.5 . . ? 
H21B C21 H21C 109.5 . . ? 
C16 C15 C14 121.2(7) . . ? 
C16 C15 H15 119.4 . . ? 
C14 C15 H15 119.4 . . ? 
C18 C23 H23A 109.5 . . ? 
C18 C23 H23B 109.5 . . ? 
H23A C23 H23B 109.5 . . ? 
C18 C23 H23C 109.5 . . ? 
H23A C23 H23C 109.5 . . ? 
H23B C23 H23C 109.5 . . ? 
C4 N2 C3 110.4(4) . . ? 
C4 N2 C5 124.8(4) . . ? 
C3 N2 C5 123.9(4) . . ? 
C37 C38 H38A 109.5 . . ? 
C37 C38 H38B 109.5 . . ? 
H38A C38 H38B 109.5 . . ? 
C37 C38 H38C 109.5 . . ? 
H38A C38 H38C 109.5 . . ? 
H38B C38 H38C 109.5 . . ? 
C38 C37 O2 112.3(7) . . ? 
C38 C37 H37A 109.1 . . ? 
O2 C37 H37A 109.1 . . ? 
C38 C37 H37B 109.1 . . ? 
O2 C37 H37B 109.1 . . ? 
H37A C37 H37B 107.9 . . ? 
C16 C11 C12 123.1(5) . . ? 
C16 C11 N1 117.8(5) . . ? 
C12 C11 N1 119.0(5) . . ? 
C35 C34 C33 122.1(6) . . ? 
C35 C34 Pt51 70.5(3) . . ? 
C33 C34 Pt51 109.8(4) . . ? 
C35 C34 H34 118.9 . . ? 
C33 C34 H34 118.9 . . ? 
Pt51 C34 H34 89.8 . . ? 
C32 C31 C30 121.7(5) . . ? 
C32 C31 Pt51 70.4(3) . . ? 
C30 C31 Pt51 112.1(3) . . ? 
C32 C31 H31 119.2 . . ? 
C30 C31 H31 119.2 . . ? 
Pt51 C31 H31 87.5 . . ? 
C31 C32 Pt51 70.3(3) . . ? 
C31 C32 H32A 116.6 . . ? 
Pt51 C32 H32A 116.6 . . ? 
C31 C32 H32B 116.6 . . ? 
Pt51 C32 H32B 116.6 . . ? 
H32A C32 H32B 113.6 . . ? 
C4 N1 C2 110.7(4) . . ? 
C4 N1 C11 125.3(4) . . ? 
C2 N1 C11 123.7(4) . . ? 
C31 C30 C29 115.8(5) . . ? 
C31 C30 H30A 108.3 . . ? 
C29 C30 H30A 108.3 . . ? 
C31 C30 H30B 108.3 . . ? 
C29 C30 H30B 108.3 . . ? 
H30A C30 H30B 107.4 . . ? 
C5 C6 C7 116.7(5) . . ? 
C5 C6 C17 121.7(5) . . ? 
C7 C6 C17 121.5(5) . . ? 
C3 C2 N1 107.6(4) . . ? 
C3 C2 H2 126.2 . . ? 
N1 C2 H2 126.2 . . ? 
C15 C16 C11 117.6(6) . . ? 
C15 C16 C20 120.0(6) . . ? 
C11 C16 C20 122.3(5) . . ? 
C10 C5 C6 123.5(5) . . ? 
C10 C5 N2 117.5(4) . . ? 
C6 C5 N2 119.0(4) . . ? 
O3 C39 O4 123.5(6) . . ? 
O3 C39 C29 124.1(5) . . ? 
O4 C39 C29 112.3(5) . . ? 
C13 C12 C11 116.4(6) . . ? 
C13 C12 C19 120.1(6) . . ? 
C11 C12 C19 123.4(5) . . ? 
C39 C29 C30 105.2(5) . . ? 
C39 C29 C33 109.2(5) . . ? 
C30 C29 C33 112.9(4) . . ? 
C39 C29 C36 107.5(4) . . ? 
C30 C29 C36 114.7(5) . . ? 
C33 C29 C36 107.2(5) . . ? 
C5 C10 C9 116.8(5) . . ? 
C5 C10 C18 123.3(5) . . ? 
C9 C10 C18 119.9(5) . . ? 
C12 C19 C26 112.8(7) . . ? 
C12 C19 C25 110.9(5) . . ? 
C26 C19 C25 109.6(6) . . ? 
C12 C19 H19 107.8 . . ? 
C26 C19 H19 107.8 . . ? 
C25 C19 H19 107.8 . . ? 
C8 C9 C10 121.1(6) . . ? 
C8 C9 H9 119.5 . . ? 
C10 C9 H9 119.5 . . ? 
C27 C20 C16 113.8(6) . . ? 
C27 C20 C28 111.1(8) . . ? 
C16 C20 C28 109.0(6) . . ? 
C27 C20 H20 107.5 . . ? 
C16 C20 H20 107.5 . . ? 
C28 C20 H20 107.5 . . ? 
O1 C36 O2 125.2(7) . . ? 
O1 C36 C29 123.2(6) . . ? 
O2 C36 C29 111.6(5) . . ? 
C8 C7 C6 120.5(6) . . ? 
C8 C7 H7 119.7 . . ? 
C6 C7 H7 119.7 . . ? 
C21 C17 C6 110.0(6) . . ? 
C21 C17 C22 111.9(6) . . ? 
C6 C17 C22 113.7(5) . . ? 
C21 C17 H17 106.9 . . ? 
C6 C17 H17 106.9 . . ? 
C22 C17 H17 106.9 . . ? 
C2 C3 N2 106.8(4) . . ? 
C2 C3 H3 126.6 . . ? 
N2 C3 H3 126.6 . . ? 
C14 C13 C12 121.8(6) . . ? 
C14 C13 H13 119.1 . . ? 
C12 C13 H13 119.1 . . ? 
C18 C24 H24A 109.5 . . ? 
C18 C24 H24B 109.5 . . ? 
H24A C24 H24B 109.5 . . ? 
C18 C24 H24C 109.5 . . ? 
H24A C24 H24C 109.5 . . ? 
H24B C24 H24C 109.5 . . ? 
C10 C18 C24 111.4(6) . . ? 
C10 C18 C23 112.8(6) . . ? 
C24 C18 C23 109.1(6) . . ? 
C10 C18 H18 107.8 . . ? 
C24 C18 H18 107.8 . . ? 
C23 C18 H18 107.8 . . ? 
C34 C33 C29 114.7(5) . . ? 
C34 C33 H33A 108.6 . . ? 
C29 C33 H33A 108.6 . . ? 
C34 C33 H33B 108.6 . . ? 
C29 C33 H33B 108.6 . . ? 
H33A C33 H33B 107.6 . . ? 
C15 C14 C13 119.7(6) . . ? 
C15 C14 H14 120.1 . . ? 
C13 C14 H14 120.1 . . ? 
C9 C8 C7 121.3(6) . . ? 
C9 C8 H8 119.3 . . ? 
C7 C8 H8 119.3 . . ? 
C19 C26 H26A 109.5 . . ? 
C19 C26 H26B 109.5 . . ? 
H26A C26 H26B 109.5 . . ? 
C19 C26 H26C 109.5 . . ? 
H26A C26 H26C 109.5 . . ? 
H26B C26 H26C 109.5 . . ? 
C40 C41 H41A 109.5 . . ? 
C40 C41 H41B 109.5 . . ? 
H41A C41 H41B 109.5 . . ? 
C40 C41 H41C 109.5 . . ? 
H41A C41 H41C 109.5 . . ? 
H41B C41 H41C 109.5 . . ? 
C17 C22 H22A 109.5 . . ? 
C17 C22 H22B 109.5 . . ? 
H22A C22 H22B 109.5 . . ? 
C17 C22 H22C 109.5 . . ? 
H22A C22 H22C 109.5 . . ? 
H22B C22 H22C 109.5 . . ? 
C19 C25 H25A 109.5 . . ? 
C19 C25 H25B 109.5 . . ? 
H25A C25 H25B 109.5 . . ? 
C19 C25 H25C 109.5 . . ? 
H25A C25 H25C 109.5 . . ? 
H25B C25 H25C 109.5 . . ? 
C20 C27 H27A 109.5 . . ? 
C20 C27 H27B 109.5 . . ? 
H27A C27 H27B 109.5 . . ? 
C20 C27 H27C 109.5 . . ? 
H27A C27 H27C 109.5 . . ? 
H27B C27 H27C 109.5 . . ? 
C41 C40 O4 108.0(6) . . ? 
C41 C40 H40A 110.1 . . ? 
O4 C40 H40A 110.1 . . ? 
C41 C40 H40B 110.1 . . ? 
O4 C40 H40B 110.1 . . ? 
H40A C40 H40B 108.4 . . ? 
 
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 
C31 Pt51 C4 N2 118.8(4) . . . . ? 
C32 Pt51 C4 N2 123.1(4) . . . . ? 
C34 Pt51 C4 N2 -47.1(5) . . . . ? 
C35 Pt51 C4 N2 -53.9(4) . . . . ? 
C31 Pt51 C4 N1 -55.6(5) . . . . ? 
C32 Pt51 C4 N1 -51.2(4) . . . . ? 
C34 Pt51 C4 N1 138.5(4) . . . . ? 
C35 Pt51 C4 N1 131.8(4) . . . . ? 
C4 Pt51 C35 C34 173.0(4) . . . . ? 
C31 Pt51 C35 C34 -0.9(5) . . . . ? 
C32 Pt51 C35 C34 2.9(11) . . . . ? 
N1 C4 N2 C3 0.3(5) . . . . ? 
Pt51 C4 N2 C3 -175.1(3) . . . . ? 
N1 C4 N2 C5 -168.8(4) . . . . ? 
Pt51 C4 N2 C5 15.7(6) . . . . ? 
C36 O2 C37 C38 -82.0(9) . . . . ? 
Pt51 C35 C34 C33 -101.6(5) . . . . ? 
C4 Pt51 C34 C35 -10.6(5) . . . . ? 
C31 Pt51 C34 C35 179.2(4) . . . . ? 
C32 Pt51 C34 C35 -179.0(4) . . . . ? 
C4 Pt51 C34 C33 107.6(4) . . . . ? 
C31 Pt51 C34 C33 -62.6(4) . . . . ? 
C32 Pt51 C34 C33 -60.8(5) . . . . ? 
C35 Pt51 C34 C33 118.2(6) . . . . ? 
C4 Pt51 C31 C32 6.8(5) . . . . ? 
C34 Pt51 C31 C32 177.6(4) . . . . ? 
C35 Pt51 C31 C32 178.2(4) . . . . ? 
C4 Pt51 C31 C30 -110.4(4) . . . . ? 
C32 Pt51 C31 C30 -117.2(6) . . . . ? 
C34 Pt51 C31 C30 60.5(4) . . . . ? 
C35 Pt51 C31 C30 61.0(5) . . . . ? 
C30 C31 C32 Pt51 104.5(4) . . . . ? 
C4 Pt51 C32 C31 -175.2(3) . . . . ? 
C34 Pt51 C32 C31 -2.8(5) . . . . ? 
C35 Pt51 C32 C31 -5.0(10) . . . . ? 
N2 C4 N1 C2 0.5(5) . . . . ? 
Pt51 C4 N1 C2 175.8(3) . . . . ? 
N2 C4 N1 C11 174.2(4) . . . . ? 
Pt51 C4 N1 C11 -10.5(6) . . . . ? 
C16 C11 N1 C4 -72.8(6) . . . . ? 
C12 C11 N1 C4 109.5(6) . . . . ? 
C16 C11 N1 C2 100.1(6) . . . . ? 
C12 C11 N1 C2 -77.6(6) . . . . ? 
C32 C31 C30 C29 -146.5(5) . . . . ? 
Pt51 C31 C30 C29 -66.5(5) . . . . ? 
C4 N1 C2 C3 -1.2(6) . . . . ? 
C11 N1 C2 C3 -175.0(5) . . . . ? 
C14 C15 C16 C11 0.5(10) . . . . ? 
C14 C15 C16 C20 -176.8(6) . . . . ? 
C12 C11 C16 C15 0.1(8) . . . . ? 
N1 C11 C16 C15 -177.5(5) . . . . ? 
C12 C11 C16 C20 177.2(5) . . . . ? 
N1 C11 C16 C20 -0.4(7) . . . . ? 
C7 C6 C5 C10 -3.1(8) . . . . ? 
C17 C6 C5 C10 175.0(5) . . . . ? 
C7 C6 C5 N2 176.7(5) . . . . ? 
C17 C6 C5 N2 -5.2(7) . . . . ? 
C4 N2 C5 C10 97.5(6) . . . . ? 
C3 N2 C5 C10 -70.2(6) . . . . ? 
C4 N2 C5 C6 -82.3(6) . . . . ? 
C3 N2 C5 C6 109.9(6) . . . . ? 
C40 O4 C39 O3 0.7(10) . . . . ? 
C40 O4 C39 C29 -176.4(5) . . . . ? 
C16 C11 C12 C13 -1.5(8) . . . . ? 
N1 C11 C12 C13 176.1(5) . . . . ? 
C16 C11 C12 C19 178.9(6) . . . . ? 
N1 C11 C12 C19 -3.5(8) . . . . ? 
O3 C39 C29 C30 -88.9(8) . . . . ? 
O4 C39 C29 C30 88.2(6) . . . . ? 
O3 C39 C29 C33 32.6(9) . . . . ? 
O4 C39 C29 C33 -150.3(5) . . . . ? 
O3 C39 C29 C36 148.5(7) . . . . ? 
O4 C39 C29 C36 -34.4(7) . . . . ? 
C31 C30 C29 C39 175.2(4) . . . . ? 
C31 C30 C29 C33 56.2(7) . . . . ? 
C31 C30 C29 C36 -67.0(6) . . . . ? 
C6 C5 C10 C9 2.3(8) . . . . ? 
N2 C5 C10 C9 -177.5(5) . . . . ? 
C6 C5 C10 C18 -178.2(5) . . . . ? 
N2 C5 C10 C18 1.9(8) . . . . ? 
C13 C12 C19 C26 43.5(8) . . . . ? 
C11 C12 C19 C26 -136.9(6) . . . . ? 
C13 C12 C19 C25 -79.8(8) . . . . ? 
C11 C12 C19 C25 99.7(7) . . . . ? 
C5 C10 C9 C8 0.0(9) . . . . ? 
C18 C10 C9 C8 -179.4(6) . . . . ? 
C15 C16 C20 C27 -43.9(10) . . . . ? 
C11 C16 C20 C27 139.0(8) . . . . ? 
C15 C16 C20 C28 80.8(9) . . . . ? 
C11 C16 C20 C28 -96.3(8) . . . . ? 
C37 O2 C36 O1 -0.2(9) . . . . ? 
C37 O2 C36 C29 -179.4(5) . . . . ? 
C39 C29 C36 O1 -75.5(7) . . . . ? 
C30 C29 C36 O1 168.0(6) . . . . ? 
C33 C29 C36 O1 41.8(7) . . . . ? 
C39 C29 C36 O2 103.8(5) . . . . ? 
C30 C29 C36 O2 -12.7(7) . . . . ? 
C33 C29 C36 O2 -138.9(5) . . . . ? 
C5 C6 C7 C8 1.6(8) . . . . ? 
C17 C6 C7 C8 -176.5(6) . . . . ? 
C5 C6 C17 C21 -82.4(8) . . . . ? 
C7 C6 C17 C21 95.6(7) . . . . ? 
C5 C6 C17 C22 151.1(6) . . . . ? 
C7 C6 C17 C22 -30.9(8) . . . . ? 
N1 C2 C3 N2 1.3(6) . . . . ? 
C4 N2 C3 C2 -1.1(6) . . . . ? 
C5 N2 C3 C2 168.2(4) . . . . ? 
C11 C12 C13 C14 2.4(10) . . . . ? 
C19 C12 C13 C14 -177.9(6) . . . . ? 
C5 C10 C18 C24 113.2(7) . . . . ? 
C9 C10 C18 C24 -67.3(8) . . . . ? 
C5 C10 C18 C23 -123.7(7) . . . . ? 
C9 C10 C18 C23 55.8(8) . . . . ? 
C35 C34 C33 C29 150.4(5) . . . . ? 
Pt51 C34 C33 C29 71.6(5) . . . . ? 
C39 C29 C33 C34 -176.3(5) . . . . ? 
C30 C29 C33 C34 -59.7(7) . . . . ? 
C36 C29 C33 C34 67.5(6) . . . . ? 
C16 C15 C14 C13 0.5(11) . . . . ? 
C12 C13 C14 C15 -2.0(11) . . . . ? 
C10 C9 C8 C7 -1.4(10) . . . . ? 
C6 C7 C8 C9 0.6(10) . . . . ? 
C39 O4 C40 C41 167.5(7) . . . . ? 
 
_diffrn_measured_fraction_theta_max    0.950 
_diffrn_reflns_theta_full              25.34 
_diffrn_measured_fraction_theta_full   0.950 
_refine_diff_density_max    0.753 
_refine_diff_density_min   -1.511 
_refine_diff_density_rms    0.138 
