#------------------------------------------------------------------------------
#$Date: 2016-03-22 14:03:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178984 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/07/4120714.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4120714
loop_
_publ_author_name
'Miriam A. Bowring'
'Robert G. Bergman'
'T. Don Tilley'
_publ_section_title
;
 Pt-Catalyzed C-C Activation Induced by C-H Activation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13121
_journal_page_last               13128
_journal_paper_doi               10.1021/ja406260j
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C73 H82 F12 N6 O8 Pt2 S4'
_chemical_formula_weight         1917.8870
_chemical_name_common            MABII185
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.190(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8949(8)
_cell_length_b                   13.1119(9)
_cell_length_c                   23.4112(16)
_cell_measurement_reflns_used    9822
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.38
_cell_measurement_theta_min      2.35
_cell_volume                     3917.9(5)
_computing_molecular_graphics    ORTEP-32
_computing_publication_material  WinGX
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SUPERFLIP
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'QUAZAR multilayer mirrors'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0142
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            279980
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.41
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    3.758
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_description       prism
_exptl_crystal_F_000             1908
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.970
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         7211
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0166
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0123P)²+5.5315P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0356
_refine_ls_wR_factor_ref         0.0379
_reflns_number_gt                6551
_reflns_number_total             7211
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja406260j_si_002.cif
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               4120714
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'
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
C1 C 0.57337(19) 0.45913(19) 0.32554(10) 0.0204(5) Uani 1 1 d .
H6 H 0.5021 0.4495 0.3304 0.024 Uiso 1 1 calc R
C2 C 0.64839(19) 0.46050(19) 0.37364(10) 0.0229(5) Uani 1 1 d .
H7 H 0.6280 0.4512 0.4107 0.027 Uiso 1 1 calc R
C3 C 0.75380(19) 0.47526(18) 0.36881(10) 0.0202(5) Uani 1 1 d .
C4 C 0.77685(18) 0.48914(17) 0.31321(10) 0.0173(5) Uani 1 1 d .
H10 H 0.8475 0.5006 0.3077 0.021 Uiso 1 1 calc R
C5 C 0.69970(17) 0.48673(16) 0.26556(10) 0.0142(5) Uani 1 1 d .
C6 C 0.72169(17) 0.49851(17) 0.20596(10) 0.0139(5) Uani 1 1 d .
C7 C 0.82191(17) 0.50991(17) 0.19180(10) 0.0163(5) Uani 1 1 d .
H12 H 0.8804 0.5097 0.2215 0.020 Uiso 1 1 calc R
C8 C 0.83794(18) 0.52163(18) 0.13471(10) 0.0182(5) Uani 1 1 d .
C9 C 0.74871(18) 0.51969(19) 0.09332(10) 0.0216(5) Uani 1 1 d .
H21 H 0.7553 0.5271 0.0536 0.026 Uiso 1 1 calc R
C10 C 0.65090(18) 0.50705(19) 0.10984(10) 0.0185(5) Uani 1 1 d .
H100 H 0.5915 0.5053 0.0808 0.022 Uiso 1 1 calc R
C11 C 0.8368(2) 0.4768(2) 0.42225(11) 0.0290(6) Uani 1 1 d .
C12 C 0.8118(3) 0.5635(3) 0.46155(13) 0.0545(10) Uani 1 1 d .
H16G H 0.8142 0.6287 0.4413 0.082 Uiso 1 1 calc R
H16H H 0.8635 0.5641 0.4966 0.082 Uiso 1 1 calc R
H16I H 0.7417 0.5534 0.4721 0.082 Uiso 1 1 calc R
C13 C 0.8337(3) 0.3748(3) 0.45367(13) 0.0486(9) Uani 1 1 d .
H16A H 0.7647 0.3658 0.4659 0.073 Uiso 1 1 calc R
H16B H 0.8878 0.3741 0.4876 0.073 Uiso 1 1 calc R
H16C H 0.8466 0.3192 0.4276 0.073 Uiso 1 1 calc R
C14 C 0.9465(2) 0.4926(3) 0.40646(13) 0.0465(8) Uani 1 1 d .
H16D H 0.9631 0.4367 0.3815 0.070 Uiso 1 1 calc R
H16E H 0.9976 0.4935 0.4417 0.070 Uiso 1 1 calc R
H16F H 0.9491 0.5576 0.3860 0.070 Uiso 1 1 calc R
C15 C 0.94658(18) 0.5352(2) 0.11665(11) 0.0240(6) Uani 1 1 d .
C16 C 1.03336(19) 0.5311(2) 0.16858(12) 0.0314(6) Uani 1 1 d .
H10A H 1.0235 0.5867 0.1953 0.047 Uiso 1 1 calc R
H10B H 1.1017 0.5385 0.1553 0.047 Uiso 1 1 calc R
H10C H 1.0304 0.4656 0.1884 0.047 Uiso 1 1 calc R
C17 C 0.96511(19) 0.4500(2) 0.07442(11) 0.0299(6) Uani 1 1 d .
H19A H 0.9618 0.3837 0.0934 0.045 Uiso 1 1 calc R
H19B H 1.0343 0.4586 0.0624 0.045 Uiso 1 1 calc R
H19C H 0.9111 0.4532 0.0405 0.045 Uiso 1 1 calc R
C18 C 0.9498(2) 0.6389(2) 0.08672(15) 0.0449(8) Uani 1 1 d .
H34A H 0.8947 0.6416 0.0533 0.067 Uiso 1 1 calc R
H34B H 1.0183 0.6481 0.0739 0.067 Uiso 1 1 calc R
H34C H 0.9385 0.6933 0.1139 0.067 Uiso 1 1 calc R
C19 C 0.37703(17) 0.42340(19) 0.24003(10) 0.0176(5) Uani 1 1 d .
C20 C 0.3708(2) 0.3206(2) 0.25534(11) 0.0264(6) Uani 1 1 d .
H104 H 0.4192 0.2735 0.2432 0.032 Uiso 1 1 calc R
C21 C 0.2959(2) 0.2857(2) 0.28774(12) 0.0352(7) Uani 1 1 d .
H151 H 0.2934 0.2155 0.2974 0.042 Uiso 1 1 calc R
C22 C 0.2251(2) 0.3530(2) 0.30595(12) 0.0360(7) Uani 1 1 d .
H150 H 0.1740 0.3294 0.3283 0.043 Uiso 1 1 calc R
C23 C 0.2289(2) 0.4548(2) 0.29143(11) 0.0310(6) Uani 1 1 d .
H107 H 0.1802 0.5012 0.3039 0.037 Uiso 1 1 calc R
C24 C 0.30417(18) 0.4902(2) 0.25840(10) 0.0225(5) Uani 1 1 d .
H106 H 0.3056 0.5604 0.2484 0.027 Uiso 1 1 calc R
C25 C 0.2662(2) 0.2921(2) 0.10005(12) 0.0318(6) Uani 1 1 d .
C26 C 0.39540(19) 0.63823(19) 0.05568(11) 0.0226(5) Uani 1 1 d .
C27 C 0.9065(2) 0.2307(2) 0.20712(14) 0.0359(7) Uani 1 1 d .
C28 C 0.8233(2) 0.2382(2) 0.16304(15) 0.0417(8) Uani 1 1 d .
H171 H 0.8358 0.2369 0.1240 0.050 Uiso 1 1 calc R
C29 C 0.7223(3) 0.2477(2) 0.1754(3) 0.0720(14) Uani 1 1 d .
H172 H 0.6658 0.2539 0.1448 0.086 Uiso 1 1 calc R
C30 C 0.7028(4) 0.2481(3) 0.2311(4) 0.108(3) Uani 1 1 d .
H170 H 0.6330 0.2528 0.2396 0.130 Uiso 1 1 calc R
C31 C 0.7860(6) 0.2416(3) 0.2750(3) 0.096(2) Uani 1 1 d .
H176 H 0.7733 0.2431 0.3140 0.116 Uiso 1 1 calc R
C32 C 0.8865(4) 0.2330(2) 0.26331(17) 0.0587(10) Uani 1 1 d .
H173 H 0.9428 0.2286 0.2941 0.070 Uiso 1 1 calc R
C33 C 1.0162(2) 0.2175(3) 0.19367(18) 0.0577(10) Uani 1 1 d .
H18A H 1.0591 0.2758 0.2088 0.086 Uiso 1 1 calc R
H18B H 1.0149 0.2134 0.1518 0.086 Uiso 1 1 calc R
H18C H 1.0463 0.1546 0.2116 0.086 Uiso 1 1 calc R
C34 C 0.4081(4) 0.3895(4) 0.44754(18) 0.0781(15) Uani 0.50 1 d P
H34 H 0.3645 0.3405 0.4261 0.094 Uiso 0.50 1 calc PR
C34A C 0.4081(4) 0.3895(4) 0.44754(18) 0.0781(15) Uani 0.50 1 d P
H34D H 0.3586 0.4258 0.4189 0.117 Uiso 0.50 1 calc PR
H34E H 0.3696 0.3432 0.4698 0.117 Uiso 0.50 1 calc PR
H34F H 0.4570 0.3502 0.4278 0.117 Uiso 0.50 1 calc PR
C35 C 0.4105(5) 0.5053(6) 0.4385(3) 0.0496(18) Uani 0.50 1 d P
H35 H 0.3694 0.5316 0.4048 0.060 Uiso 0.50 1 calc PR
C36 C 0.4593(3) 0.5657(3) 0.46994(15) 0.0539(11) Uani 0.50 1 d P
H36 H 0.4423 0.6353 0.4621 0.065 Uiso 0.50 1 calc PR
C36A C 0.4593(3) 0.5657(3) 0.46994(15) 0.0539(11) Uani 0.50 1 d P
H36A H 0.4183 0.5904 0.4358 0.065 Uiso 0.50 1 calc PR
C37 C 0.4581(5) 0.4526(5) 0.4809(3) 0.0397(16) Uani 0.50 1 d P
C38 C 0.4917(5) 0.3721(5) 0.4987(3) 0.0437(16) Uani 0.50 1 d P
H38 H 0.5081 0.3027 0.5075 0.052 Uiso 0.50 1 calc PR
N1 N 0.63610(14) 0.49717(14) 0.16506(8) 0.0142(4) Uani 1 1 d .
N2 N 0.39950(14) 0.46149(14) 0.11943(8) 0.0145(4) Uani 1 1 d .
N3 N 0.59758(14) 0.47108(14) 0.27165(8) 0.0145(4) Uani 1 1 d .
O1 O 0.36958(14) 0.37184(14) 0.02232(7) 0.0264(4) Uani 1 1 d .
O2 O 0.47199(14) 0.29072(14) 0.10686(8) 0.0310(4) Uani 1 1 d .
O3 O 0.23262(12) 0.52314(14) 0.05897(7) 0.0253(4) Uani 1 1 d .
O4 O 0.30896(14) 0.61751(14) 0.14669(7) 0.0277(4) Uani 1 1 d .
F1 F 0.33400(13) 0.71483(13) 0.03511(7) 0.0414(4) Uani 1 1 d .
F2 F 0.28814(17) 0.20297(15) 0.12267(12) 0.0783(8) Uani 1 1 d .
F4 F 0.47938(12) 0.67631(12) 0.08763(7) 0.0330(4) Uani 1 1 d .
F8 F 0.42583(12) 0.58837(12) 0.01182(6) 0.0327(4) Uani 1 1 d .
F10 F 0.21725(11) 0.34593(13) 0.13471(7) 0.0351(4) Uani 1 1 d .
F11 F 0.19949(15) 0.28063(18) 0.05142(8) 0.0634(6) Uani 1 1 d .
S1 S 0.32107(4) 0.55576(4) 0.09852(2) 0.01677(12) Uani 1 1 d .
S2 S 0.38875(4) 0.35487(5) 0.08259(2) 0.01785(12) Uani 1 1 d .
Pt1 Pt 0.495992(6) 0.465797(6) 0.198719(3) 0.01191(3) Uani 1 1 d .
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'
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'
S S 0.1246 0.1234 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N3 C1 C2 122.2(2) . .
N3 C1 H6 118.9 . .
C2 C1 H6 118.9 . .
C1 C2 C3 121.0(2) . .
C1 C2 H7 119.5 . .
C3 C2 H7 119.5 . .
C4 C3 C2 115.9(2) . .
C4 C3 C11 123.2(2) . .
C2 C3 C11 120.9(2) . .
C5 C4 C3 121.8(2) . .
C5 C4 H10 119.1 . .
C3 C4 H10 119.1 . .
N3 C5 C4 120.9(2) . .
N3 C5 C6 115.82(19) . .
C4 C5 C6 123.2(2) . .
N1 C6 C7 121.7(2) . .
N1 C6 C5 114.93(19) . .
C7 C6 C5 123.4(2) . .
C6 C7 C8 120.9(2) . .
C6 C7 H12 119.6 . .
C8 C7 H12 119.6 . .
C7 C8 C9 116.4(2) . .
C7 C8 C15 123.1(2) . .
C9 C8 C15 120.5(2) . .
C10 C9 C8 120.2(2) . .
C10 C9 H21 119.9 . .
C8 C9 H21 119.9 . .
N1 C10 C9 122.9(2) . .
N1 C10 H100 118.5 . .
C9 C10 H100 118.5 . .
C14 C11 C12 109.2(3) . .
C14 C11 C3 111.7(2) . .
C12 C11 C3 108.7(2) . .
C14 C11 C13 108.9(2) . .
C12 C11 C13 109.8(3) . .
C3 C11 C13 108.6(2) . .
C11 C12 H16G 109.5 . .
C11 C12 H16H 109.5 . .
H16G C12 H16H 109.5 . .
C11 C12 H16I 109.5 . .
H16G C12 H16I 109.5 . .
H16H C12 H16I 109.5 . .
C11 C13 H16A 109.5 . .
C11 C13 H16B 109.5 . .
H16A C13 H16B 109.5 . .
C11 C13 H16C 109.5 . .
H16A C13 H16C 109.5 . .
H16B C13 H16C 109.5 . .
C11 C14 H16D 109.5 . .
C11 C14 H16E 109.5 . .
H16D C14 H16E 109.5 . .
C11 C14 H16F 109.5 . .
H16D C14 H16F 109.5 . .
H16E C14 H16F 109.5 . .
C8 C15 C16 111.8(2) . .
C8 C15 C17 109.1(2) . .
C16 C15 C17 108.9(2) . .
C8 C15 C18 108.3(2) . .
C16 C15 C18 109.2(2) . .
C17 C15 C18 109.6(2) . .
C15 C16 H10A 109.5 . .
C15 C16 H10B 109.5 . .
H10A C16 H10B 109.5 . .
C15 C16 H10C 109.5 . .
H10A C16 H10C 109.5 . .
H10B C16 H10C 109.5 . .
C15 C17 H19A 109.5 . .
C15 C17 H19B 109.5 . .
H19A C17 H19B 109.5 . .
C15 C17 H19C 109.5 . .
H19A C17 H19C 109.5 . .
H19B C17 H19C 109.5 . .
C15 C18 H34A 109.5 . .
C15 C18 H34B 109.5 . .
H34A C18 H34B 109.5 . .
C15 C18 H34C 109.5 . .
H34A C18 H34C 109.5 . .
H34B C18 H34C 109.5 . .
C24 C19 C20 117.4(2) . .
C24 C19 Pt1 124.68(18) . .
C20 C19 Pt1 117.78(18) . .
C21 C20 C19 121.8(3) . .
C21 C20 H104 119.1 . .
C19 C20 H104 119.1 . .
C22 C21 C20 120.0(3) . .
C22 C21 H151 120.0 . .
C20 C21 H151 120.0 . .
C23 C22 C21 119.6(2) . .
C23 C22 H150 120.2 . .
C21 C22 H150 120.2 . .
C22 C23 C24 120.5(3) . .
C22 C23 H107 119.7 . .
C24 C23 H107 119.7 . .
C19 C24 C23 120.7(3) . .
C19 C24 H106 119.7 . .
C23 C24 H106 119.7 . .
F2 C25 F10 109.3(2) . .
F2 C25 F11 108.9(2) . .
F10 C25 F11 106.4(2) . .
F2 C25 S2 110.0(2) . .
F10 C25 S2 113.28(18) . .
F11 C25 S2 108.89(19) . .
F4 C26 F8 108.4(2) . .
F4 C26 F1 108.5(2) . .
F8 C26 F1 108.7(2) . .
F4 C26 S1 111.26(17) . .
F8 C26 S1 111.63(17) . .
F1 C26 S1 108.26(17) . .
C32 C27 C28 118.7(3) . .
C32 C27 C33 120.9(3) . .
C28 C27 C33 120.4(3) . .
C29 C28 C27 120.4(4) . .
C29 C28 H171 119.8 . .
C27 C28 H171 119.8 . .
C30 C29 C28 120.6(4) . .
C30 C29 H172 119.7 . .
C28 C29 H172 119.7 . .
C29 C30 C31 118.8(4) . .
C29 C30 H170 120.6 . .
C31 C30 H170 120.6 . .
C32 C31 C30 121.0(5) . .
C32 C31 H176 119.5 . .
C30 C31 H176 119.5 . .
C31 C32 C27 120.4(4) . .
C31 C32 H173 119.8 . .
C27 C32 H173 119.8 . .
C27 C33 H18A 109.5 . .
C27 C33 H18B 109.5 . .
H18A C33 H18B 109.5 . .
C27 C33 H18C 109.5 . .
H18A C33 H18C 109.5 . .
H18B C33 H18C 109.5 . .
C38 C34 C35 103.5(6) . .
C38 C34 H34 128.3 . .
C35 C34 H34 128.3 . .
C36 C35 C34 126.1(6) . .
C36 C35 H35 116.9 . .
C34 C35 H35 116.9 . .
C35 C36 C37 129.1(5) . 3_666
C35 C36 H36 115.4 . .
C37 C36 H36 115.4 3_666 .
C36A C38 C34 129.1(6) 3_666 .
C36A C38 H38 115.5 3_666 .
C34 C38 H38 115.5 . .
C10 N1 C6 117.85(19) . .
C10 N1 Pt1 128.75(15) . .
C6 N1 Pt1 113.14(14) . .
S1 N2 S2 119.17(11) . .
S1 N2 Pt1 120.94(10) . .
S2 N2 Pt1 119.16(10) . .
C1 N3 C5 118.12(19) . .
C1 N3 Pt1 125.65(15) . .
C5 N3 Pt1 116.23(15) . .
O4 S1 O3 121.29(11) . .
O4 S1 N2 109.22(10) . .
O3 S1 N2 111.85(10) . .
O4 S1 C26 102.94(11) . .
O3 S1 C26 104.67(11) . .
N2 S1 C26 105.15(10) . .
O1 S2 O2 120.53(11) . .
O1 S2 N2 112.36(10) . .
O2 S2 N2 107.03(10) . .
O1 S2 C25 104.66(12) . .
O2 S2 C25 105.41(13) . .
N2 S2 C25 105.66(11) . .
N3 Pt1 C19 92.92(8) . .
N3 Pt1 N2 175.79(7) . .
C19 Pt1 N2 91.23(8) . .
N3 Pt1 N1 79.67(7) . .
C19 Pt1 N1 171.10(8) . .
N2 Pt1 N1 96.14(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N3 1.351(3) .
C1 C2 1.376(3) .
C1 H6 0.9500 .
C2 C3 1.393(4) .
C2 H7 0.9500 .
C3 C4 1.388(3) .
C3 C11 1.526(3) .
C4 C5 1.385(3) .
C4 H10 0.9500 .
C5 N3 1.360(3) .
C5 C6 1.471(3) .
C6 N1 1.354(3) .
C6 C7 1.387(3) .
C7 C8 1.390(3) .
C7 H12 0.9500 .
C8 C9 1.395(3) .
C8 C15 1.530(3) .
C9 C10 1.381(3) .
C9 H21 0.9500 .
C10 N1 1.340(3) .
C10 H100 0.9500 .
C11 C14 1.525(4) .
C11 C12 1.525(4) .
C11 C13 1.530(4) .
C12 H16G 0.9800 .
C12 H16H 0.9800 .
C12 H16I 0.9800 .
C13 H16A 0.9800 .
C13 H16B 0.9800 .
C13 H16C 0.9800 .
C14 H16D 0.9800 .
C14 H16E 0.9800 .
C14 H16F 0.9800 .
C15 C16 1.532(3) .
C15 C17 1.533(4) .
C15 C18 1.533(4) .
C16 H10A 0.9800 .
C16 H10B 0.9800 .
C16 H10C 0.9800 .
C17 H19A 0.9800 .
C17 H19B 0.9800 .
C17 H19C 0.9800 .
C18 H34A 0.9800 .
C18 H34B 0.9800 .
C18 H34C 0.9800 .
C19 C24 1.397(3) .
C19 C20 1.399(4) .
C19 Pt1 2.005(2) .
C20 C21 1.389(4) .
C20 H104 0.9500 .
C21 C22 1.380(4) .
C21 H151 0.9500 .
C22 C23 1.380(4) .
C22 H150 0.9500 .
C23 C24 1.404(4) .
C23 H107 0.9500 .
C24 H106 0.9500 .
C25 F2 1.298(3) .
C25 F10 1.304(3) .
C25 F11 1.334(3) .
C25 S2 1.878(3) .
C26 F4 1.323(3) .
C26 F8 1.323(3) .
C26 F1 1.326(3) .
C26 S1 1.835(2) .
C27 C32 1.377(5) .
C27 C28 1.382(4) .
C27 C33 1.503(4) .
C28 C29 1.380(5) .
C28 H171 0.9500 .
C29 C30 1.364(8) .
C29 H172 0.9500 .
C30 C31 1.379(8) .
C30 H170 0.9500 .
C31 C32 1.366(7) .
C31 H176 0.9500 .
C32 H173 0.9500 .
C33 H18A 0.9800 .
C33 H18B 0.9800 .
C33 H18C 0.9800 .
C34 C38 1.509(8) .
C34 C35 1.534(10) .
C34 H34 0.9500 .
C35 C36 1.197(9) .
C35 H35 0.9500 .
C36 C37 1.472(7) 3_666
C36 H36 0.9500 .
C37 C36 1.472(7) 3_666
C38 C36A 1.214(8) 3_666
C38 H38 0.9500 .
N1 Pt1 2.1118(18) .
N2 S1 1.6277(19) .
N2 S2 1.6382(19) .
N2 Pt1 2.0831(18) .
N3 Pt1 1.9997(18) .
O1 S2 1.4149(18) .
O2 S2 1.4173(18) .
O3 S1 1.4282(18) .
O4 S1 1.4149(18) .
