# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20130830c
_database_code_depnum_ccdc_archive 'CCDC 1031034'
_audit_update_record             
;
2014-10-25 deposited with the CCDC.
2015-01-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C68 H82 Cl2 N6 O7 Pt2'
_chemical_formula_sum            'C68 H82 Cl2 N6 O7 Pt2'
_chemical_formula_weight         1556.48

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'
Cl Cl 0.1484 0.1585 '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           Trigonal
_symmetry_space_group_name_H-M   'P3(1)21   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'-x, -x+y, -z+1/3'
'x-y, -y, -z+2/3'

_cell_length_a                   31.521(3)
_cell_length_b                   31.521(3)
_cell_length_c                   7.118(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     6124.8(19)
_cell_formula_units_Z            3
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    6628
_cell_measurement_theta_min      2.5845
_cell_measurement_theta_max      19.835

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2334
_exptl_absorpt_coefficient_mu    3.533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4378
_exptl_absorpt_correction_T_max  0.5103
_exptl_absorpt_process_details   SADABS,Bruker,2000

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56494
_diffrn_reflns_av_R_equivalents  0.0785
_diffrn_reflns_av_sigmaI/netI    0.0812
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_theta_min         0.75
_diffrn_reflns_theta_max         27.50
_reflns_number_total             9397
_reflns_number_gt                7499
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       SMART,(Bruker,2000)
_computing_cell_refinement       SMART
_computing_data_reduction        SAINT(Bruker,2000)
_computing_structure_solution    'SHELXTL(Bruker,2000) '
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_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)+(0.1117P)²+0.0000P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.013(15)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         9397
_refine_ls_number_parameters     459
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0632
_refine_ls_wR_factor_ref         0.1741
_refine_ls_wR_factor_gt          0.1725
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.000
_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
C1 C 1.0116(4) 0.5424(4) 0.4070(16) 0.037(3) Uani 1 1 d . . .
C2 C 1.0579(4) 0.4847(4) 0.3583(17) 0.038(3) Uani 1 1 d . . .
C3 C 1.1001(4) 0.5251(4) 0.3047(16) 0.039(3) Uani 1 1 d . . .
H3 H 1.1007 0.5547 0.2901 0.047 Uiso 1 1 calc R . .
C4 C 1.1428(5) 0.5230(5) 0.2709(18) 0.044(3) Uani 1 1 d . . .
H4 H 1.1725 0.5512 0.2459 0.053 Uiso 1 1 calc R . .
C5 C 1.1392(4) 0.4785(4) 0.2759(17) 0.039(3) Uani 1 1 d . . .
H5 H 1.1667 0.4766 0.2418 0.047 Uiso 1 1 calc R . .
C6 C 1.0978(5) 0.4358(4) 0.3279(16) 0.041(3) Uani 1 1 d . . .
H6 H 1.0979 0.4066 0.3426 0.049 Uiso 1 1 calc R . .
C7 C 1.0545(5) 0.4390(4) 0.3581(19) 0.045(3) Uani 1 1 d . . .
C8 C 1.0063(4) 0.3950(4) 0.4089(16) 0.036(3) Uani 1 1 d . . .
C9 C 0.9946(4) 0.3478(4) 0.4202(18) 0.046(3) Uani 1 1 d . . .
H9 H 1.0185 0.3398 0.3910 0.056 Uiso 1 1 calc R . .
C10 C 0.9491(4) 0.3109(4) 0.4727(16) 0.036(3) Uani 1 1 d . . .
H10 H 0.9423 0.2787 0.4854 0.044 Uiso 1 1 calc R . .
C11 C 0.9131(5) 0.3242(4) 0.5067(14) 0.035(2) Uani 1 1 d . . .
H11 H 0.8810 0.3006 0.5350 0.041 Uiso 1 1 calc R . .
C12 C 0.9276(4) 0.3757(4) 0.4961(15) 0.029(2) Uani 1 1 d . . .
C13 C 0.8942(4) 0.3940(4) 0.5306(17) 0.036(3) Uani 1 1 d . . .
C14 C 0.8458(3) 0.3668(3) 0.5672(13) 0.0215(19) Uani 1 1 d . . .
H14 H 0.8310 0.3329 0.5737 0.026 Uiso 1 1 calc R . .
C15 C 0.8175(3) 0.3898(4) 0.5957(14) 0.0270(19) Uani 1 1 d . . .
C16 C 0.8391(4) 0.4368(4) 0.5726(15) 0.031(2) Uani 1 1 d . . .
C17 C 0.8870(4) 0.4645(4) 0.5266(19) 0.043(3) Uani 1 1 d . . .
H17 H 0.9008 0.4981 0.5098 0.051 Uiso 1 1 calc R . .
C18 C 0.7615(4) 0.3572(4) 0.6469(17) 0.044(3) Uani 1 1 d . . .
H18A H 0.7442 0.3340 0.5470 0.053 Uiso 1 1 calc R . .
H18B H 0.7577 0.3391 0.7618 0.053 Uiso 1 1 calc R . .
C19 C 0.7404(4) 0.3918(4) 0.6732(17) 0.041(3) Uani 1 1 d . . .
H19 H 0.7061 0.3768 0.7130 0.049 Uiso 1 1 calc R . .
C20 C 0.7795(4) 0.4359(5) 0.7942(16) 0.042(3) Uani 1 1 d . . .
H20A H 0.7668 0.4543 0.8592 0.051 Uiso 1 1 calc R . .
H20B H 0.7986 0.4276 0.8775 0.051 Uiso 1 1 calc R . .
C21 C 0.8048(4) 0.4586(5) 0.6040(15) 0.040(3) Uani 1 1 d . . .
H21 H 0.8204 0.4943 0.5945 0.047 Uiso 1 1 calc R . .
C22 C 0.7573(4) 0.4295(4) 0.4967(15) 0.037(2) Uani 1 1 d . . .
C23 C 0.7562(4) 0.4085(4) 0.2989(15) 0.036(3) Uani 1 1 d . . .
H23A H 0.7328 0.3741 0.2975 0.054 Uiso 1 1 calc R . .
H23B H 0.7881 0.4136 0.2690 0.054 Uiso 1 1 calc R . .
H23C H 0.7470 0.4249 0.2077 0.054 Uiso 1 1 calc R . .
C24 C 0.7260(4) 0.4532(4) 0.5044(17) 0.037(2) Uani 1 1 d . . .
H24A H 0.7155 0.4529 0.6314 0.056 Uiso 1 1 calc R . .
H24B H 0.6978 0.4355 0.4254 0.056 Uiso 1 1 calc R . .
H24C H 0.7446 0.4865 0.4614 0.056 Uiso 1 1 calc R . .
C25 C 1.0321(4) 0.6314(4) 0.3969(18) 0.039(3) Uani 1 1 d . . .
C26 C 1.0784(5) 0.6679(4) 0.359(2) 0.048(3) Uani 1 1 d . . .
C27 C 1.0914(5) 0.7193(5) 0.350(2) 0.053(4) Uani 1 1 d . . .
H27 H 1.1234 0.7440 0.3275 0.064 Uiso 1 1 calc R . .
C28 C 1.0550(5) 0.7296(4) 0.377(2) 0.051(3) Uani 1 1 d . . .
H28 H 1.0628 0.7621 0.3714 0.061 Uiso 1 1 calc R . .
C29 C 1.0065(5) 0.6940(4) 0.4122(15) 0.045(3) Uani 1 1 d . . .
H29 H 0.9816 0.7015 0.4258 0.054 Uiso 1 1 calc R . .
C30 C 0.9986(5) 0.6480(4) 0.4248(16) 0.041(3) Uani 1 1 d . . .
C31 C 1.1205(4) 0.6560(5) 0.3248(19) 0.047(3) Uani 1 1 d . . .
H31A H 1.1239 0.6525 0.1925 0.071 Uiso 1 1 calc R . .
H31B H 1.1127 0.6260 0.3876 0.071 Uiso 1 1 calc R . .
H31C H 1.1507 0.6821 0.3735 0.071 Uiso 1 1 calc R . .
C32 C 0.9473(5) 0.6061(5) 0.437(2) 0.048(3) Uani 1 1 d . . .
H32A H 0.9265 0.6174 0.4881 0.072 Uiso 1 1 calc R . .
H32B H 0.9464 0.5813 0.5175 0.072 Uiso 1 1 calc R . .
H32C H 0.9360 0.5928 0.3141 0.072 Uiso 1 1 calc R . .
C33 C 0.0411(4) 0.9628(5) 0.0903(16) 0.037(3) Uani 1 1 d . . .
H33A H 0.0545 0.9498 0.1815 0.044 Uiso 1 1 calc R . .
H33B H 0.0668 0.9945 0.0471 0.044 Uiso 1 1 calc R . .
C34 C 0.0164(6) 0.9269(6) -0.076(2) 0.057(4) Uani 1 1 d . . .
H34A H 0.0002 0.8939 -0.0296 0.086 Uiso 1 1 calc R . .
H34B H 0.0408 0.9312 -0.1659 0.086 Uiso 1 1 calc R . .
H34C H -0.0072 0.9335 -0.1340 0.086 Uiso 1 1 calc R . .
Cl1 Cl 0.5489(2) 0.7691(2) 0.0839(9) 0.0467(14) Uani 0.50 1 d P . .
Cl2 Cl 0.11111(19) 0.0000 0.8333 0.0678(15) Uani 1 2 d S . .
N1 N 0.9710(4) 0.4090(3) 0.4388(12) 0.0319(19) Uani 1 1 d . . .
N2 N 0.9143(3) 0.4437(3) 0.5055(11) 0.0296(19) Uani 1 1 d . . .
N3 N 1.0213(4) 0.5853(4) 0.3984(12) 0.037(2) Uani 1 1 d . . .
O1 O 0.0000 0.9657(3) 0.1667 0.0167(17) Uani 1 2 d S . .
O2W O 0.7696(10) 0.7008(11) 0.406(3) 0.071(9) Uani 0.40 1 d P . .
H2X H 0.7627 0.7234 0.3915 0.085 Uiso 0.40 1 d PR . .
H2Y H 0.7888 0.7076 0.4992 0.085 Uiso 0.40 1 d PR . .
O3W O 0.7831(11) 0.6839(12) 0.167(4) 0.051(7) Uani 0.30 1 d P . .
H3X H 0.8089 0.7077 0.1207 0.062 Uiso 0.30 1 d PR . .
H3Y H 0.7586 0.6783 0.0998 0.062 Uiso 0.30 1 d PR . .
O4W O 0.7749(6) 0.7749(6) 1.0000 0.038(4) Uani 0.60 2 d SP . .
H4X H 0.7781 0.7755 0.8814 0.045 Uiso 0.30 1 d PR . .
H4Y H 0.7973 0.8017 1.0462 0.045 Uiso 0.30 1 d PR . .
O5W O 0.1342(11) 0.7724(8) 0.912(5) 0.080(9) Uani 0.40 1 d P . .
H5WX H 0.1600 0.7728 0.8752 0.096 Uiso 0.40 1 d PR . .
H5Y H 0.1343 0.7746 1.0311 0.096 Uiso 0.40 1 d PR . .
O6W O 0.1592(10) 0.8417(10) 0.619(4) 0.046(7) Uani 0.30 1 d P . .
H6X H 0.1382 0.8510 0.6157 0.055 Uiso 0.30 1 d PR . .
H6Y H 0.1873 0.8661 0.6425 0.055 Uiso 0.30 1 d PR . .
O7W O 1.0000 0.7909(9) 0.1667 0.123(16) Uani 0.60 2 d SP . .
H7X H 1.0082 0.8127 0.0820 0.148 Uiso 0.30 1 d PR . .
H7Y H 0.9765 0.7893 0.2307 0.148 Uiso 0.30 1 d PR . .
O8W O 0.0339(12) 0.8470(11) 0.586(5) 0.062(9) Uani 0.30 1 d P . .
H8X H 0.0130 0.8546 0.6236 0.074 Uiso 0.30 1 d PR . .
H8Y H 0.0357 0.8277 0.6655 0.074 Uiso 0.30 1 d PR . .
O9W O 0.1159(11) 0.9172(10) 0.456(5) 0.097(12) Uani 0.40 1 d P . .
H9X H 0.1326 0.9052 0.4110 0.116 Uiso 0.40 1 d PR . .
H9Y H 0.1095 0.9317 0.3699 0.116 Uiso 0.40 1 d PR . .
O1W O 0.1203(10) 0.9123(10) 0.184(4) 0.052(8) Uani 0.30 1 d P . .
H1X H 0.1470 0.9353 0.1400 0.062 Uiso 0.30 1 d PR . .
H1Y H 0.0963 0.9126 0.1313 0.062 Uiso 0.30 1 d PR . .
Pt1 Pt 0.989787(15) 0.475864(16) 0.43125(5) 0.03010(12) Uani 1 1 d . . .


_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
C1 N3 1.229(16) . ?
C1 Pt1 1.861(12) . ?
C2 C3 1.356(16) . ?
C2 C7 1.389(16) . ?
C2 Pt1 2.088(11) . ?
C3 C4 1.402(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.349(17) . ?
C4 H4 0.9300 . ?
C5 C6 1.376(16) . ?
C5 H5 0.9300 . ?
C6 C7 1.435(19) . ?
C6 H6 0.9300 . ?
C7 C8 1.503(17) . ?
C8 C9 1.344(18) . ?
C8 N1 1.402(15) . ?
C9 C10 1.371(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.413(17) . ?
C10 H10 0.9300 . ?
C11 C12 1.454(15) . ?
C11 H11 0.9300 . ?
C12 N1 1.305(14) . ?
C12 C13 1.451(16) . ?
C13 C14 1.350(15) . ?
C13 N2 1.376(15) . ?
C14 C15 1.417(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.296(15) . ?
C15 C18 1.578(14) . ?
C16 C17 1.354(16) . ?
C16 C21 1.558(16) . ?
C17 N2 1.326(16) . ?
C17 H17 0.9300 . ?
C18 C19 1.545(17) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.577(18) . ?
C19 C22 1.626(15) . ?
C19 H19 0.9800 . ?
C20 C21 1.552(15) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.515(16) . ?
C21 H21 0.9800 . ?
C22 C24 1.508(15) . ?
C22 C23 1.549(15) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 N3 1.315(15) . ?
C25 C26 1.361(17) . ?
C25 C30 1.408(17) . ?
C26 C27 1.461(17) . ?
C26 C31 1.570(18) . ?
C27 C28 1.350(18) . ?
C27 H27 0.9300 . ?
C28 C29 1.394(18) . ?
C28 H28 0.9300 . ?
C29 C30 1.345(18) . ?
C29 H29 0.9300 . ?
C30 C32 1.493(18) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 O1 1.449(12) . ?
C33 C34 1.549(18) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N1 Pt1 1.884(9) . ?
N2 Pt1 2.135(9) . ?
O1 C33 1.449(12) 5 ?
O2W H2X 0.8498 . ?
O2W H2Y 0.8501 . ?
O3W H3X 0.8501 . ?
O3W H3Y 0.8500 . ?
O4W H4X 0.8498 . ?
O4W H4Y 0.8527 . ?
O5W H5WX 0.8500 . ?
O5W H5Y 0.8500 . ?
O6W H6X 0.8500 . ?
O6W H6Y 0.8500 . ?
O7W H7X 0.8500 . ?
O7W H7Y 0.8500 . ?
O8W H8X 0.8500 . ?
O8W H8Y 0.8499 . ?
O9W H9X 0.8499 . ?
O9W H9Y 0.8499 . ?
O1W H1X 0.8500 . ?
O1W H1Y 0.8499 . ?

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
N3 C1 Pt1 173.2(9) . . ?
C3 C2 C7 120.3(11) . . ?
C3 C2 Pt1 130.9(9) . . ?
C7 C2 Pt1 108.7(9) . . ?
C2 C3 C4 121.2(11) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 117.4(12) . . ?
C5 C4 H4 121.3 . . ?
C3 C4 H4 121.3 . . ?
C4 C5 C6 124.7(13) . . ?
C4 C5 H5 117.6 . . ?
C6 C5 H5 117.6 . . ?
C5 C6 C7 116.2(12) . . ?
C5 C6 H6 121.9 . . ?
C7 C6 H6 121.9 . . ?
C2 C7 C6 119.3(11) . . ?
C2 C7 C8 118.4(12) . . ?
C6 C7 C8 122.0(11) . . ?
C9 C8 N1 121.1(11) . . ?
C9 C8 C7 128.9(12) . . ?
N1 C8 C7 109.9(10) . . ?
C8 C9 C10 123.2(13) . . ?
C8 C9 H9 118.4 . . ?
C10 C9 H9 118.4 . . ?
C9 C10 C11 116.7(11) . . ?
C9 C10 H10 121.7 . . ?
C11 C10 H10 121.7 . . ?
C10 C11 C12 118.1(11) . . ?
C10 C11 H11 120.9 . . ?
C12 C11 H11 120.9 . . ?
N1 C12 C13 114.2(10) . . ?
N1 C12 C11 122.1(10) . . ?
C13 C12 C11 123.4(10) . . ?
C14 C13 N2 118.6(10) . . ?
C14 C13 C12 126.4(11) . . ?
N2 C13 C12 114.8(10) . . ?
C13 C14 C15 120.3(9) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 117.5(9) . . ?
C16 C15 C18 123.3(10) . . ?
C14 C15 C18 119.2(9) . . ?
C15 C16 C17 123.2(10) . . ?
C15 C16 C21 113.8(10) . . ?
C17 C16 C21 123.1(10) . . ?
N2 C17 C16 119.9(10) . . ?
N2 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C19 C18 C15 107.8(9) . . ?
C19 C18 H18A 110.1 . . ?
C15 C18 H18A 110.1 . . ?
C19 C18 H18B 110.1 . . ?
C15 C18 H18B 110.1 . . ?
H18A C18 H18B 108.5 . . ?
C18 C19 C20 105.4(10) . . ?
C18 C19 C22 108.9(9) . . ?
C20 C19 C22 87.1(8) . . ?
C18 C19 H19 117.1 . . ?
C20 C19 H19 117.1 . . ?
C22 C19 H19 117.1 . . ?
C21 C20 C19 85.7(9) . . ?
C21 C20 H20A 114.4 . . ?
C19 C20 H20A 114.4 . . ?
C21 C20 H20B 114.4 . . ?
C19 C20 H20B 114.4 . . ?
H20A C20 H20B 111.5 . . ?
C22 C21 C20 92.1(9) . . ?
C22 C21 C16 110.8(10) . . ?
C20 C21 C16 103.4(9) . . ?
C22 C21 H21 115.9 . . ?
C20 C21 H21 115.9 . . ?
C16 C21 H21 115.9 . . ?
C24 C22 C21 112.1(10) . . ?
C24 C22 C23 111.4(9) . . ?
C21 C22 C23 121.4(10) . . ?
C24 C22 C19 106.2(9) . . ?
C21 C22 C19 85.2(8) . . ?
C23 C22 C19 117.4(10) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 C26 120.8(12) . . ?
N3 C25 C30 125.6(11) . . ?
C26 C25 C30 113.5(11) . . ?
C25 C26 C27 122.3(13) . . ?
C25 C26 C31 120.4(11) . . ?
C27 C26 C31 117.3(11) . . ?
C28 C27 C26 117.3(13) . . ?
C28 C27 H27 121.4 . . ?
C26 C27 H27 121.4 . . ?
C27 C28 C29 123.7(13) . . ?
C27 C28 H28 118.2 . . ?
C29 C28 H28 118.2 . . ?
C30 C29 C28 114.6(14) . . ?
C30 C29 H29 122.7 . . ?
C28 C29 H29 122.7 . . ?
C29 C30 C25 128.4(13) . . ?
C29 C30 C32 119.5(12) . . ?
C25 C30 C32 111.2(11) . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O1 C33 C34 101.2(8) . . ?
O1 C33 H33A 111.5 . . ?
C34 C33 H33A 111.5 . . ?
O1 C33 H33B 111.5 . . ?
C34 C33 H33B 111.5 . . ?
H33A C33 H33B 109.4 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C12 N1 C8 118.2(10) . . ?
C12 N1 Pt1 121.6(8) . . ?
C8 N1 Pt1 119.5(7) . . ?
C17 N2 C13 120.4(9) . . ?
C17 N2 Pt1 129.6(8) . . ?
C13 N2 Pt1 109.9(7) . . ?
C1 N3 C25 177.6(12) . . ?
C33 O1 C33 118.7(13) 5 . ?
H2X O2W H2Y 109.5 . . ?
H3X O3W H3Y 109.5 . . ?
H4X O4W H4Y 109.2 . . ?
H5WX O5W H5Y 109.8 . . ?
H6X O6W H6Y 109.5 . . ?
H7X O7W H7Y 109.5 . . ?
H8X O8W H8Y 109.5 . . ?
H9X O9W H9Y 109.5 . . ?
H1X O1W H1Y 109.5 . . ?
C1 Pt1 N1 175.3(4) . . ?
C1 Pt1 C2 92.9(5) . . ?
N1 Pt1 C2 83.3(4) . . ?
C1 Pt1 N2 104.7(4) . . ?
N1 Pt1 N2 79.0(4) . . ?
C2 Pt1 N2 162.3(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
C7 C2 C3 C4 -8(2) . . . . ?
Pt1 C2 C3 C4 176.7(10) . . . . ?
C2 C3 C4 C5 6.2(19) . . . . ?
C3 C4 C5 C6 -6(2) . . . . ?
C4 C5 C6 C7 7.1(19) . . . . ?
C3 C2 C7 C6 9(2) . . . . ?
Pt1 C2 C7 C6 -174.7(10) . . . . ?
C3 C2 C7 C8 -176.9(11) . . . . ?
Pt1 C2 C7 C8 -0.7(15) . . . . ?
C5 C6 C7 C2 -8.4(18) . . . . ?
C5 C6 C7 C8 177.9(11) . . . . ?
C2 C7 C8 C9 -179.2(13) . . . . ?
C6 C7 C8 C9 -5(2) . . . . ?
C2 C7 C8 N1 3.4(16) . . . . ?
C6 C7 C8 N1 177.2(11) . . . . ?
N1 C8 C9 C10 -4.3(19) . . . . ?
C7 C8 C9 C10 178.5(12) . . . . ?
C8 C9 C10 C11 3.1(18) . . . . ?
C9 C10 C11 C12 -4.1(16) . . . . ?
C10 C11 C12 N1 6.9(16) . . . . ?
C10 C11 C12 C13 -179.1(10) . . . . ?
N1 C12 C13 C14 171.0(11) . . . . ?
C11 C12 C13 C14 -3.5(18) . . . . ?
N1 C12 C13 N2 -2.7(14) . . . . ?
C11 C12 C13 N2 -177.2(9) . . . . ?
N2 C13 C14 C15 -5.6(16) . . . . ?
C12 C13 C14 C15 -179.1(10) . . . . ?
C13 C14 C15 C16 4.6(15) . . . . ?
C13 C14 C15 C18 -177.4(10) . . . . ?
C14 C15 C16 C17 -1.3(17) . . . . ?
C18 C15 C16 C17 -179.2(11) . . . . ?
C14 C15 C16 C21 179.1(9) . . . . ?
C18 C15 C16 C21 1.1(15) . . . . ?
C15 C16 C17 N2 -0.9(19) . . . . ?
C21 C16 C17 N2 178.7(10) . . . . ?
C16 C15 C18 C19 -3.1(15) . . . . ?
C14 C15 C18 C19 179.0(9) . . . . ?
C15 C18 C19 C20 -44.3(11) . . . . ?
C15 C18 C19 C22 47.9(12) . . . . ?
C18 C19 C20 C21 86.2(9) . . . . ?
C22 C19 C20 C21 -22.6(8) . . . . ?
C19 C20 C21 C22 24.4(9) . . . . ?
C19 C20 C21 C16 -87.5(10) . . . . ?
C15 C16 C21 C22 -48.6(13) . . . . ?
C17 C16 C21 C22 131.8(12) . . . . ?
C15 C16 C21 C20 48.9(13) . . . . ?
C17 C16 C21 C20 -130.7(12) . . . . ?
C20 C21 C22 C24 81.9(11) . . . . ?
C16 C21 C22 C24 -172.9(9) . . . . ?
C20 C21 C22 C23 -142.9(11) . . . . ?
C16 C21 C22 C23 -37.7(14) . . . . ?
C20 C21 C22 C19 -23.6(9) . . . . ?
C16 C21 C22 C19 81.6(10) . . . . ?
C18 C19 C22 C24 166.3(10) . . . . ?
C20 C19 C22 C24 -88.4(10) . . . . ?
C18 C19 C22 C21 -82.1(11) . . . . ?
C20 C19 C22 C21 23.2(9) . . . . ?
C18 C19 C22 C23 40.9(14) . . . . ?
C20 C19 C22 C23 146.2(10) . . . . ?
N3 C25 C26 C27 178.1(12) . . . . ?
C30 C25 C26 C27 1(2) . . . . ?
N3 C25 C26 C31 -3(2) . . . . ?
C30 C25 C26 C31 179.8(12) . . . . ?
C25 C26 C27 C28 -2(2) . . . . ?
C31 C26 C27 C28 179.0(13) . . . . ?
C26 C27 C28 C29 0(2) . . . . ?
C27 C28 C29 C30 2(2) . . . . ?
C28 C29 C30 C25 -4(2) . . . . ?
C28 C29 C30 C32 -172.1(12) . . . . ?
N3 C25 C30 C29 -175.0(12) . . . . ?
C26 C25 C30 C29 2(2) . . . . ?
N3 C25 C30 C32 -5.9(18) . . . . ?
C26 C25 C30 C32 171.5(12) . . . . ?
C13 C12 N1 C8 177.6(9) . . . . ?
C11 C12 N1 C8 -7.9(15) . . . . ?
C13 C12 N1 Pt1 6.9(13) . . . . ?
C11 C12 N1 Pt1 -178.5(8) . . . . ?
C9 C8 N1 C12 6.6(17) . . . . ?
C7 C8 N1 C12 -175.7(9) . . . . ?
C9 C8 N1 Pt1 177.5(9) . . . . ?
C7 C8 N1 Pt1 -4.8(12) . . . . ?
C16 C17 N2 C13 -0.2(16) . . . . ?
C16 C17 N2 Pt1 179.2(8) . . . . ?
C14 C13 N2 C17 3.5(15) . . . . ?
C12 C13 N2 C17 177.7(10) . . . . ?
C14 C13 N2 Pt1 -176.0(8) . . . . ?
C12 C13 N2 Pt1 -1.8(11) . . . . ?
Pt1 C1 N3 C25 80(32) . . . . ?
C26 C25 N3 C1 91(29) . . . . ?
C30 C25 N3 C1 -91(29) . . . . ?
C34 C33 O1 C33 63.2(8) . . . 5 ?
N3 C1 Pt1 N1 150(7) . . . . ?
N3 C1 Pt1 C2 -174(9) . . . . ?
N3 C1 Pt1 N2 8(9) . . . . ?
C12 N1 Pt1 C1 -149(6) . . . . ?
C8 N1 Pt1 C1 40(6) . . . . ?
C12 N1 Pt1 C2 174.2(9) . . . . ?
C8 N1 Pt1 C2 3.7(9) . . . . ?
C12 N1 Pt1 N2 -6.2(8) . . . . ?
C8 N1 Pt1 N2 -176.7(9) . . . . ?
C3 C2 Pt1 C1 -3.1(13) . . . . ?
C7 C2 Pt1 C1 -178.7(10) . . . . ?
C3 C2 Pt1 N1 174.1(13) . . . . ?
C7 C2 Pt1 N1 -1.5(9) . . . . ?
C3 C2 Pt1 N2 172.8(10) . . . . ?
C7 C2 Pt1 N2 -3(2) . . . . ?
C17 N2 Pt1 C1 1.6(11) . . . . ?
C13 N2 Pt1 C1 -179.0(7) . . . . ?
C17 N2 Pt1 N1 -175.5(10) . . . . ?
C13 N2 Pt1 N1 4.0(7) . . . . ?
C17 N2 Pt1 C2 -174.1(14) . . . . ?
C13 N2 Pt1 C2 5.4(17) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         6.945
_refine_diff_density_min         -6.043
_refine_diff_density_rms         0.229
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20130503b_0m
_database_code_depnum_ccdc_archive 'CCDC 1033960'
_audit_update_record             
;
2014-11-13 deposited with the CCDC.
2015-01-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C66 H59 F6 N6 O6 Pt2 S2'
_chemical_formula_sum            'C66 H59 F6 N6 O6 Pt2 S2'
_chemical_formula_weight         1600.49

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'
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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P1   '
_symmetry_space_group_name_Hall  'P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'

_cell_length_a                   9.895(2)
_cell_length_b                   11.075(2)
_cell_length_c                   15.169(3)
_cell_angle_alpha                71.726(3)
_cell_angle_beta                 83.896(4)
_cell_angle_gamma                85.526(4)
_cell_volume                     1567.8(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3031
_cell_measurement_theta_min      2.4085
_cell_measurement_theta_max      22.669

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             787
_exptl_absorpt_coefficient_mu    4.598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3592
_exptl_absorpt_correction_T_max  0.5863
_exptl_absorpt_process_details   SADABS,Bruker,2000

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9516
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0702
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.42
_diffrn_reflns_theta_max         26.00
_reflns_number_total             7612
_reflns_number_gt                6437
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       SMART,(Bruker,2000)
_computing_cell_refinement       SMART
_computing_data_reduction        SAINT(Bruker,2000)
_computing_structure_solution    'SHELXTL(Bruker,2000) '
_computing_structure_refinement  SHELXTL
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL

_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)+(0.0960P)²+6.7464P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.068(19)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         7612
_refine_ls_number_parameters     729
_refine_ls_number_restraints     708
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0645
_refine_ls_wR_factor_ref         0.1734
_refine_ls_wR_factor_gt          0.1658
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.002

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
C2 C 0.8710(16) 0.2053(15) 0.3711(10) 0.0539(8) Uani 1 1 d U . .
C3 C 0.1924(17) 1.0962(16) 0.2701(9) 0.0578(7) Uani 1 1 d U . .
C4 C 0.0804(13) 0.8807(14) 0.4189(9) 0.0430(8) Uani 1 1 d U . .
C1 C 0.7360(9) -0.0047(8) 0.5204(4) 0.0561(7) Uani 1 1 d GU . .
C5 C 0.8098(10) 0.0200(9) 0.5853(6) 0.0602(8) Uani 1 1 d GU . .
H5 H 0.8638 0.0901 0.5676 0.072 Uiso 1 1 calc R . .
C6 C 0.8029(11) -0.0602(10) 0.6767(5) 0.0626(10) Uani 1 1 d GU . .
H6 H 0.8522 -0.0437 0.7202 0.075 Uiso 1 1 calc R . .
C7 C 0.7221(12) -0.1650(9) 0.7031(5) 0.0624(13) Uani 1 1 d GU . .
H7 H 0.7175 -0.2187 0.7643 0.075 Uiso 1 1 calc R . .
C8 C 0.6483(12) -0.1897(9) 0.6382(6) 0.0609(11) Uani 1 1 d GU . .
H8 H 0.5943 -0.2599 0.6558 0.073 Uiso 1 1 calc R . .
C9 C 0.6553(10) -0.1096(9) 0.5468(6) 0.0556(8) Uani 1 1 d GU . .
C15 C 0.5948(15) 0.0214(14) 0.2319(9) 0.0501(7) Uani 1 1 d U . .
C16 C 0.5498(16) 0.0235(15) 0.1446(10) 0.0556(8) Uani 1 1 d U . .
H16 H 0.4932 -0.0376 0.1410 0.067 Uiso 1 1 calc R . .
C17 C 0.5921(17) 0.1163(16) 0.0689(10) 0.0600(8) Uani 1 1 d U . .
C18 C 0.6755(17) 0.2103(17) 0.0717(10) 0.0619(8) Uani 1 1 d U . .
C19 C 0.7148(16) 0.2019(16) 0.1619(10) 0.0568(10) Uani 1 1 d U . .
H19 H 0.7690 0.2632 0.1682 0.068 Uiso 1 1 calc R . .
C20 C 0.5447(18) 0.1348(18) -0.0270(10) 0.0642(7) Uani 1 1 d U . .
H20 H 0.4855 0.0824 -0.0397 0.077 Uiso 1 1 calc R . .
C21 C 0.6072(18) 0.2508(17) -0.0997(11) 0.0675(7) Uani 1 1 d U . .
H21 H 0.5824 0.2643 -0.1630 0.081 Uiso 1 1 calc R . .
C22 C 0.5799(18) 0.3672(17) -0.0665(11) 0.0665(9) Uani 1 1 d U . .
H22A H 0.4978 0.3645 -0.0250 0.080 Uiso 1 1 calc R . .
H22B H 0.5847 0.4477 -0.1161 0.080 Uiso 1 1 calc R . .
C23 C 0.7187(18) 0.3230(17) -0.0134(10) 0.0664(7) Uani 1 1 d U . .
H23 H 0.7753 0.3874 -0.0061 0.080 Uiso 1 1 calc R . .
C24 C 0.7610(19) 0.2597(18) -0.0936(11) 0.0694(4) Uani 1 1 d U . .
C25 C 0.8290(19) 0.3607(18) -0.1776(10) 0.0697(6) Uani 1 1 d U . .
H25A H 0.9078 0.3889 -0.1593 0.105 Uiso 1 1 calc R . .
H25B H 0.7659 0.4317 -0.1990 0.105 Uiso 1 1 calc R . .
H25C H 0.8559 0.3243 -0.2269 0.105 Uiso 1 1 calc R . .
C26 C 0.8456(18) 0.1341(17) -0.0702(11) 0.0695(6) Uani 1 1 d U . .
H26A H 0.8579 0.1043 -0.1236 0.104 Uiso 1 1 calc R . .
H26B H 0.7992 0.0721 -0.0191 0.104 Uiso 1 1 calc R . .
H26C H 0.9327 0.1471 -0.0531 0.104 Uiso 1 1 calc R . .
C27 C 0.1313(18) 1.0464(17) 0.2040(9) 0.0615(8) Uani 1 1 d U . .
H27 H 0.0810 0.9737 0.2257 0.074 Uiso 1 1 calc R . .
C28 C 0.1506(18) 1.1100(17) 0.1098(10) 0.0637(10) Uani 1 1 d U . .
H28 H 0.1160 1.0766 0.0682 0.076 Uiso 1 1 calc R . .
C29 C 0.2192(18) 1.2210(17) 0.0750(10) 0.0632(12) Uani 1 1 d U . .
H29 H 0.2222 1.2648 0.0116 0.076 Uiso 1 1 calc R . .
C30 C 0.2844(18) 1.2690(17) 0.1337(10) 0.0608(11) Uani 1 1 d U . .
H30 H 0.3355 1.3408 0.1086 0.073 Uiso 1 1 calc R . .
C31 C 0.2723(17) 1.2073(16) 0.2320(10) 0.0564(8) Uani 1 1 d U . .
C37 C 0.3281(8) 1.0589(7) 0.5492(4) 0.0478(7) Uani 1 1 d GU . .
C38 C 0.3630(10) 1.0530(9) 0.6369(5) 0.0533(8) Uani 1 1 d GU . .
H38 H 0.4266 1.1071 0.6426 0.064 Uiso 1 1 calc R . .
C39 C 0.3030(11) 0.9661(10) 0.7160(4) 0.0582(8) Uani 1 1 d GU . .
C40 C 0.2081(11) 0.8853(9) 0.7075(5) 0.0588(8) Uani 1 1 d GU . .
C41 C 0.1731(10) 0.8912(9) 0.6198(6) 0.0530(10) Uani 1 1 d GU . .
H41 H 0.1096 0.8371 0.6141 0.064 Uiso 1 1 calc R . .
N4 N 0.2331(9) 0.9780(8) 0.5407(5) 0.0485(8) Uani 1 1 d GU . .
C42 C 0.3283(19) 0.9668(17) 0.8156(10) 0.0635(7) Uani 1 1 d U . .
H42A H 0.4227 0.9425 0.8270 0.076 Uiso 1 1 calc R . .
H42B H 0.3089 1.0516 0.8210 0.076 Uiso 1 1 calc R . .
C43 C 0.2358(6) 0.8731(17) 0.8866(9) 0.0671(6) Uani 1 1 d DU . .
H43 H 0.2465 0.8661 0.9515 0.081 Uiso 1 1 calc R . .
C44 C 0.0870(11) 0.8899(12) 0.8621(7) 0.0670(9) Uani 1 1 d DU . .
H44A H 0.0222 0.8498 0.9137 0.080 Uiso 1 1 calc R . .
H44B H 0.0578 0.9772 0.8308 0.080 Uiso 1 1 calc R . .
C45 C 0.1305(18) 0.8104(13) 0.7961(8) 0.0641(7) Uani 1 1 d DU . .
H45 H 0.0601 0.7582 0.7880 0.077 Uiso 1 1 calc R . .
C46 C 0.2336(19) 0.7390(17) 0.8674(10) 0.0666(4) Uani 1 1 d U . .
C47 C 0.1650(19) 0.6381(17) 0.9493(10) 0.0670(6) Uani 1 1 d U . .
H47A H 0.1863 0.5556 0.9419 0.101 Uiso 1 1 calc R . .
H47B H 0.0683 0.6548 0.9514 0.101 Uiso 1 1 calc R . .
H47C H 0.1972 0.6403 1.0063 0.101 Uiso 1 1 calc R . .
C48 C 0.3605(19) 0.6880(17) 0.8320(10) 0.0666(6) Uani 1 1 d U . .
H48A H 0.3420 0.6182 0.8110 0.100 Uiso 1 1 calc R . .
H48B H 0.4208 0.6587 0.8808 0.100 Uiso 1 1 calc R . .
H48C H 0.4023 0.7534 0.7810 0.100 Uiso 1 1 calc R . .
C49 C 1.0077(7) 0.3826(7) 0.3453(4) 0.0550(7) Uani 1 1 d GU . .
C50 C 1.0692(8) 0.3912(8) 0.4212(4) 0.0574(5) Uani 1 1 d GDU . .
C51 C 1.1678(9) 0.4794(9) 0.4082(5) 0.0605(9) Uani 1 1 d GU . .
H51 H 1.2089 0.4852 0.4590 0.073 Uiso 1 1 calc R . .
C52 C 1.2049(10) 0.5591(9) 0.3192(6) 0.0644(10) Uani 1 1 d GU . .
H52 H 1.2709 0.6181 0.3105 0.077 Uiso 1 1 calc R . .
C53 C 1.1435(9) 0.5505(8) 0.2433(5) 0.0625(10) Uani 1 1 d GU . .
H53 H 1.1683 0.6037 0.1838 0.075 Uiso 1 1 calc R . .
C54 C 1.0449(8) 0.4623(8) 0.2563(4) 0.0610(5) Uani 1 1 d GDU . .
C55 C 1.0667(16) 0.3019(14) 0.5188(7) 0.0576(6) Uani 1 1 d DU . .
H55A H 1.1470 0.2463 0.5251 0.086 Uiso 1 1 calc R . .
H55B H 0.9875 0.2523 0.5321 0.086 Uiso 1 1 calc R . .
H55C H 1.0642 0.3500 0.5618 0.086 Uiso 1 1 calc R . .
C56 C 0.9577(14) 0.4698(16) 0.1794(8) 0.0613(6) Uani 1 1 d DU . .
H56A H 0.9912 0.5325 0.1233 0.092 Uiso 1 1 calc R . .
H56B H 0.8656 0.4932 0.1967 0.092 Uiso 1 1 calc R . .
H56C H 0.9606 0.3884 0.1691 0.092 Uiso 1 1 calc R . .
C57 C -0.0992(8) 0.7085(7) 0.4353(4) 0.0508(7) Uani 1 1 d GU . .
C58 C -0.1707(8) 0.6947(8) 0.3652(4) 0.0535(5) Uani 1 1 d GDU . .
C59 C -0.2599(9) 0.5970(9) 0.3849(5) 0.0560(9) Uani 1 1 d GU . .
H59 H -0.3077 0.5878 0.3380 0.067 Uiso 1 1 calc R . .
C60 C -0.2778(10) 0.5130(9) 0.4747(5) 0.0579(10) Uani 1 1 d GU . .
H60 H -0.3375 0.4476 0.4879 0.069 Uiso 1 1 calc R . .
C61 C -0.2064(10) 0.5267(8) 0.5448(4) 0.0557(9) Uani 1 1 d GU . .
H61 H -0.2183 0.4705 0.6049 0.067 Uiso 1 1 calc R . .
C62 C -0.1171(8) 0.6245(8) 0.5251(4) 0.0539(5) Uani 1 1 d GDU . .
C63 C -0.1182(15) 0.7884(15) 0.2648(8) 0.0538(6) Uani 1 1 d DU . .
H63A H -0.1378 0.8752 0.2634 0.081 Uiso 1 1 calc R . .
H63B H -0.1636 0.7716 0.2173 0.081 Uiso 1 1 calc R . .
H63C H -0.0218 0.7742 0.2538 0.081 Uiso 1 1 calc R . .
C64 C -0.0571(14) 0.6588(13) 0.6084(8) 0.0542(6) Uani 1 1 d DU . .
H64A H -0.0893 0.7430 0.6079 0.081 Uiso 1 1 calc R . .
H64B H 0.0405 0.6551 0.6001 0.081 Uiso 1 1 calc R . .
H64C H -0.0868 0.5988 0.6669 0.081 Uiso 1 1 calc R . .
C65 C 0.670(3) 0.713(2) 0.0191(15) 0.103(3) Uani 1 1 d U . .
C66 C 0.269(2) 0.3707(19) 0.7470(12) 0.064(3) Uani 1 1 d U . .
F1 F 0.739(2) 0.639(2) -0.0050(16) 0.2034(15) Uani 1 1 d U . .
F2 F 0.755(2) 0.786(2) 0.0505(14) 0.199(3) Uani 1 1 d U . .
F3 F 0.6117(19) 0.7998(17) -0.0519(10) 0.135(6) Uani 1 1 d . . .
F4 F 0.3040(15) 0.3224(16) 0.8290(8) 0.107(6) Uani 1 1 d . . .
F5 F 0.1843(14) 0.4705(14) 0.7489(10) 0.118(5) Uani 1 1 d . . .
F6 F 0.1979(12) 0.2922(12) 0.7234(8) 0.083(3) Uani 1 1 d U . .
C10 C 0.5822(8) -0.1429(7) 0.4823(4) 0.0511(7) Uani 1 1 d GU . .
C11 C 0.4888(9) -0.2368(8) 0.4995(5) 0.0550(9) Uani 1 1 d GU . .
H11 H 0.4702 -0.2907 0.5598 0.066 Uiso 1 1 calc R . .
C12 C 0.4234(10) -0.2503(10) 0.4267(6) 0.0568(11) Uani 1 1 d GU . .
H12 H 0.3609 -0.3131 0.4383 0.068 Uiso 1 1 calc R . .
C13 C 0.4513(10) -0.1698(11) 0.3367(6) 0.0535(9) Uani 1 1 d GU . .
H13 H 0.4075 -0.1788 0.2879 0.064 Uiso 1 1 calc R . .
C14 C 0.5447(10) -0.0759(9) 0.3194(4) 0.0473(7) Uani 1 1 d GU . .
N1 N 0.6101(9) -0.0624(8) 0.3922(5) 0.0466(8) Uani 1 1 d GU . .
N2 N 0.6744(14) 0.1072(13) 0.2367(8) 0.0522(9) Uani 1 1 d U . .
C32 C 0.3446(9) 1.2324(8) 0.3008(5) 0.0533(7) Uani 1 1 d GU . .
C33 C 0.4263(10) 1.3328(8) 0.2919(5) 0.0564(9) Uani 1 1 d GU . .
H33 H 0.4460 1.3916 0.2336 0.068 Uiso 1 1 calc R . .
C34 C 0.4787(11) 1.3452(10) 0.3699(6) 0.0574(10) Uani 1 1 d GU . .
H34 H 0.5334 1.4124 0.3639 0.069 Uiso 1 1 calc R . .
C35 C 0.4493(10) 1.2572(11) 0.4569(5) 0.0534(9) Uani 1 1 d GU . .
H35 H 0.4843 1.2655 0.5091 0.064 Uiso 1 1 calc R . .
C36 C 0.3675(10) 1.1568(9) 0.4659(4) 0.0478(7) Uani 1 1 d GU . .
N3 N 0.3152(10) 1.1444(8) 0.3878(5) 0.0484(8) Uani 1 1 d GU . .
N5 N 0.9194(15) 0.2897(13) 0.3678(8) 0.0535(10) Uani 1 1 d U . .
N6 N -0.0053(13) 0.8051(13) 0.4265(8) 0.0469(10) Uani 1 1 d U . .
O1 O 0.613(2) 0.577(2) 0.1877(10) 0.145(8) Uani 1 1 d . . .
O2 O 0.4548(19) 0.7654(14) 0.1254(12) 0.121(6) Uani 1 1 d . . .
O3 O 0.4460(16) 0.5775(13) 0.0866(11) 0.087(5) Uani 1 1 d . . .
O4 O 0.4937(19) 0.297(2) 0.6723(13) 0.116(7) Uani 1 1 d . . .
O5 O 0.463(2) 0.511(2) 0.7018(9) 0.129(8) Uani 1 1 d . . .
O6 O 0.3577(17) 0.4688(18) 0.5767(9) 0.104(6) Uani 1 1 d . . .
Pt1 Pt 0.72843(4) 0.07446(4) 0.37704(3) 0.04506(17) Uani 1 1 d U . .
Pt2 Pt 0.18999(4) 1.00971(4) 0.40245(3) 0.04754(19) Uani 1 1 d U . .
S1 S 0.5352(7) 0.6483(5) 0.1167(3) 0.0760(14) Uani 1 1 d U . .
S2 S 0.4147(6) 0.4191(6) 0.6627(3) 0.0707(16) Uani 1 1 d U . .


_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
C2 N5 1.07(2) . ?
C2 Pt1 2.076(17) . ?
C3 C31 1.44(2) . ?
C3 C27 1.48(2) . ?
C3 Pt2 1.933(13) . ?
C4 N6 1.21(2) . ?
C4 Pt2 1.800(15) . ?
C1 C5 1.3900 . ?
C1 C9 1.3900 . ?
C1 Pt1 2.081(6) . ?
C5 C6 1.3900 . ?
C5 H5 0.9300 . ?
C6 C7 1.3900 . ?
C6 H6 0.9300 . ?
C7 C8 1.3900 . ?
C7 H7 0.9300 . ?
C8 C9 1.3900 . ?
C8 H8 0.9300 . ?
C9 C10 1.426(11) . ?
C15 N2 1.31(2) . ?
C15 C16 1.43(2) . ?
C15 C14 1.488(15) . ?
C16 C17 1.33(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.39(3) . ?
C17 C20 1.52(2) . ?
C18 C19 1.44(2) . ?
C18 C23 1.54(2) . ?
C19 N2 1.329(18) . ?
C19 H19 0.9300 . ?
C20 C21 1.53(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.52(3) . ?
C21 C24 1.55(3) . ?
C21 H21 0.9800 . ?
C22 C23 1.63(2) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.59(3) . ?
C23 H23 0.9800 . ?
C24 C26 1.53(2) . ?
C24 C25 1.54(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.381(19) . ?
C27 H27 0.9300 . ?
C28 C29 1.38(3) . ?
C28 H28 0.9300 . ?
C29 C30 1.40(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.429(19) . ?
C30 H30 0.9300 . ?
C31 C32 1.432(19) . ?
C37 C38 1.3900 . ?
C37 N4 1.3900 . ?
C37 C36 1.424(9) . ?
C38 C39 1.3900 . ?
C38 H38 0.9300 . ?
C39 C40 1.3900 . ?
C39 C42 1.560(18) . ?
C40 C41 1.3900 . ?
C40 C45 1.504(15) . ?
C41 N4 1.3900 . ?
C41 H41 0.9300 . ?
N4 Pt2 2.099(7) . ?
C42 C43 1.52(2) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.540(12) . ?
C43 C46 1.60(3) . ?
C43 H43 0.9800 . ?
C44 C45 1.539(12) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.55(2) . ?
C45 H45 0.9800 . ?
C46 C48 1.46(2) . ?
C46 C47 1.52(2) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 N5 1.340(16) . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C50 C51 1.3900 . ?
C50 C55 1.500(10) . ?
C51 C52 1.3900 . ?
C51 H51 0.9300 . ?
C52 C53 1.3900 . ?
C52 H52 0.9300 . ?
C53 C54 1.3900 . ?
C53 H53 0.9300 . ?
C54 C56 1.501(10) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C58 1.3900 . ?
C57 C62 1.3900 . ?
C57 N6 1.437(17) . ?
C58 C59 1.3900 . ?
C58 C63 1.609(11) . ?
C59 C60 1.3900 . ?
C59 H59 0.9300 . ?
C60 C61 1.3900 . ?
C60 H60 0.9300 . ?
C61 C62 1.3900 . ?
C61 H61 0.9300 . ?
C62 C64 1.609(11) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 H64A 0.9600 . ?
C64 H64B 0.9600 . ?
C64 H64C 0.9600 . ?
C65 F1 1.15(3) . ?
C65 F3 1.35(3) . ?
C65 F2 1.41(4) . ?
C65 S1 1.89(2) . ?
C66 F4 1.27(2) . ?
C66 F6 1.31(3) . ?
C66 F5 1.34(2) . ?
C66 S2 1.82(2) . ?
C10 C11 1.3900 . ?
C10 N1 1.3900 . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 C14 1.3900 . ?
C13 H13 0.9300 . ?
C14 N1 1.3900 . ?
N1 Pt1 1.929(8) . ?
N2 Pt1 2.163(12) . ?
C32 C33 1.3900 . ?
C32 N3 1.3900 . ?
C33 C34 1.3900 . ?
C33 H33 0.9300 . ?
C34 C35 1.3900 . ?
C34 H34 0.9300 . ?
C35 C36 1.3900 . ?
C35 H35 0.9300 . ?
C36 N3 1.3900 . ?
N3 Pt2 1.957(8) . ?
O1 S1 1.386(17) . ?
O2 S1 1.501(16) . ?
O3 S1 1.422(16) . ?
O4 S2 1.48(2) . ?
O5 S2 1.46(2) . ?
O6 S2 1.407(15) . ?

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
N5 C2 Pt1 163.9(15) . . ?
C31 C3 C27 118.0(12) . . ?
C31 C3 Pt2 117.8(12) . . ?
C27 C3 Pt2 123.8(11) . . ?
N6 C4 Pt2 172.2(12) . . ?
C5 C1 C9 120.0 . . ?
C5 C1 Pt1 133.8(4) . . ?
C9 C1 Pt1 105.9(4) . . ?
C1 C5 C6 120.0 . . ?
C1 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 120.0 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 H7 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C1 120.0 . . ?
C8 C9 C10 117.4(6) . . ?
C1 C9 C10 122.5(6) . . ?
N2 C15 C16 121.0(13) . . ?
N2 C15 C14 119.0(12) . . ?
C16 C15 C14 119.9(13) . . ?
C17 C16 C15 117.6(15) . . ?
C17 C16 H16 121.2 . . ?
C15 C16 H16 121.2 . . ?
C16 C17 C18 122.9(15) . . ?
C16 C17 C20 123.0(16) . . ?
C18 C17 C20 114.0(13) . . ?
C17 C18 C19 116.0(13) . . ?
C17 C18 C23 124.0(15) . . ?
C19 C18 C23 119.9(16) . . ?
N2 C19 C18 120.6(15) . . ?
N2 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C17 C20 C21 111.1(16) . . ?
C17 C20 H20 124.4 . . ?
C21 C20 H20 124.4 . . ?
C22 C21 C20 109.9(14) . . ?
C22 C21 C24 88.9(15) . . ?
C20 C21 C24 113.8(13) . . ?
C22 C21 H21 113.9 . . ?
C20 C21 H21 113.9 . . ?
C24 C21 H21 113.9 . . ?
C21 C22 C23 86.5(13) . . ?
C21 C22 H22A 114.2 . . ?
C23 C22 H22A 114.2 . . ?
C21 C22 H22B 114.2 . . ?
C23 C22 H22B 114.2 . . ?
H22A C22 H22B 111.4 . . ?
C18 C23 C24 103.9(15) . . ?
C18 C23 C22 103.5(13) . . ?
C24 C23 C22 83.7(12) . . ?
C18 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C26 C24 C25 111.2(14) . . ?
C26 C24 C21 116.3(16) . . ?
C25 C24 C21 113.5(13) . . ?
C26 C24 C23 118.6(13) . . ?
C25 C24 C23 108.1(16) . . ?
C21 C24 C23 87.1(13) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C3 118.7(16) . . ?
C28 C27 H27 120.7 . . ?
C3 C27 H27 120.7 . . ?
C29 C28 C27 122.6(17) . . ?
C29 C28 H28 118.7 . . ?
C27 C28 H28 118.7 . . ?
C28 C29 C30 121.1(13) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C29 C30 C31 119.9(16) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C30 C31 C32 127.6(15) . . ?
C30 C31 C3 119.6(16) . . ?
C32 C31 C3 112.3(11) . . ?
C38 C37 N4 120.0 . . ?
C38 C37 C36 123.9(7) . . ?
N4 C37 C36 115.4(7) . . ?
C39 C38 C37 120.0 . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 C40 120.0 . . ?
C38 C39 C42 121.2(9) . . ?
C40 C39 C42 118.5(9) . . ?
C41 C40 C39 120.0 . . ?
C41 C40 C45 122.6(9) . . ?
C39 C40 C45 116.6(9) . . ?
N4 C41 C40 120.0 . . ?
N4 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 N4 C37 120.0 . . ?
C41 N4 Pt2 126.7(4) . . ?
C37 N4 Pt2 113.2(4) . . ?
C43 C42 C39 108.8(14) . . ?
C43 C42 H42A 109.9 . . ?
C39 C42 H42A 109.9 . . ?
C43 C42 H42B 109.9 . . ?
C39 C42 H42B 109.9 . . ?
H42A C42 H42B 108.3 . . ?
C42 C43 C44 112.9(11) . . ?
C42 C43 C46 113.5(12) . . ?
C44 C43 C46 84.5(11) . . ?
C42 C43 H43 114.2 . . ?
C44 C43 H43 114.2 . . ?
C46 C43 H43 114.2 . . ?
C45 C44 C43 86.7(11) . . ?
C45 C44 H44A 114.2 . . ?
C43 C44 H44A 114.2 . . ?
C45 C44 H44B 114.2 . . ?
C43 C44 H44B 114.2 . . ?
H44A C44 H44B 111.4 . . ?
C40 C45 C44 112.6(11) . . ?
C40 C45 C46 108.8(13) . . ?
C44 C45 C46 86.3(10) . . ?
C40 C45 H45 115.2 . . ?
C44 C45 H45 115.2 . . ?
C46 C45 H45 115.2 . . ?
C48 C46 C47 111.0(14) . . ?
C48 C46 C45 117.8(13) . . ?
C47 C46 C45 111.3(15) . . ?
C48 C46 C43 117.8(15) . . ?
C47 C46 C43 112.5(13) . . ?
C45 C46 C43 84.2(11) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
N5 C49 C50 113.3(7) . . ?
N5 C49 C54 126.6(6) . . ?
C50 C49 C54 120.0 . . ?
C51 C50 C49 120.0 . . ?
C51 C50 C55 109.3(8) . . ?
C49 C50 C55 129.6(8) . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 C49 120.0 . . ?
C53 C54 C56 120.4(7) . . ?
C49 C54 C56 118.4(7) . . ?
C50 C55 H55A 109.5 . . ?
C50 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C50 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C62 120.0 . . ?
C58 C57 N6 126.7(6) . . ?
C62 C57 N6 113.3(6) . . ?
C59 C58 C57 120.0 . . ?
C59 C58 C63 128.0(7) . . ?
C57 C58 C63 111.3(7) . . ?
C58 C59 C60 120.0 . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C61 C60 C59 120.0 . . ?
C61 C60 H60 120.0 . . ?
C59 C60 H60 120.0 . . ?
C60 C61 C62 120.0 . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C61 C62 C57 120.0 . . ?
C61 C62 C64 120.3(6) . . ?
C57 C62 C64 118.6(6) . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
F1 C65 F3 112(2) . . ?
F1 C65 F2 108(3) . . ?
F3 C65 F2 104(2) . . ?
F1 C65 S1 116(2) . . ?
F3 C65 S1 108.9(19) . . ?
F2 C65 S1 107.2(17) . . ?
F4 C66 F6 111.3(17) . . ?
F4 C66 F5 105.8(17) . . ?
F6 C66 F5 106.0(17) . . ?
F4 C66 S2 112.0(15) . . ?
F6 C66 S2 110.2(13) . . ?
F5 C66 S2 111.3(14) . . ?
C11 C10 N1 120.0 . . ?
C11 C10 C9 128.9(5) . . ?
N1 C10 C9 111.0(5) . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 N1 120.0 . . ?
C13 C14 C15 131.8(8) . . ?
N1 C14 C15 108.2(8) . . ?
C14 N1 C10 120.0 . . ?
C14 N1 Pt1 122.9(4) . . ?
C10 N1 Pt1 116.9(4) . . ?
C15 N2 C19 121.9(13) . . ?
C15 N2 Pt1 112.0(9) . . ?
C19 N2 Pt1 126.1(12) . . ?
C33 C32 N3 120.0 . . ?
C33 C32 C31 129.1(8) . . ?
N3 C32 C31 110.7(8) . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
N3 C36 C35 120.0 . . ?
N3 C36 C37 112.9(7) . . ?
C35 C36 C37 127.1(7) . . ?
C36 N3 C32 120.0 . . ?
C36 N3 Pt2 119.7(4) . . ?
C32 N3 Pt2 120.2(4) . . ?
C2 N5 C49 162.0(15) . . ?
C4 N6 C57 175.8(14) . . ?
N1 Pt1 C2 173.0(5) . . ?
N1 Pt1 C1 83.6(3) . . ?
C2 Pt1 C1 91.5(5) . . ?
N1 Pt1 N2 77.5(4) . . ?
C2 Pt1 N2 107.5(5) . . ?
C1 Pt1 N2 161.0(4) . . ?
C4 Pt2 C3 102.8(7) . . ?
C4 Pt2 N3 177.4(5) . . ?
C3 Pt2 N3 78.9(6) . . ?
C4 Pt2 N4 100.0(5) . . ?
C3 Pt2 N4 157.2(6) . . ?
N3 Pt2 N4 78.4(3) . . ?
O1 S1 O3 115.1(12) . . ?
O1 S1 O2 120.0(13) . . ?
O3 S1 O2 106.5(11) . . ?
O1 S1 C65 101.8(12) . . ?
O3 S1 C65 108.8(11) . . ?
O2 S1 C65 103.5(11) . . ?
O6 S2 O5 116.7(11) . . ?
O6 S2 O4 113.2(12) . . ?
O5 S2 O4 119.1(13) . . ?
O6 S2 C66 104.2(9) . . ?
O5 S2 C66 97.1(10) . . ?
O4 S2 C66 102.4(10) . . ?

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
C9 C1 C5 C6 0.0 . . . . ?
Pt1 C1 C5 C6 -172.9(6) . . . . ?
C1 C5 C6 C7 0.0 . . . . ?
C5 C6 C7 C8 0.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C1 0.0 . . . . ?
C7 C8 C9 C10 177.2(9) . . . . ?
C5 C1 C9 C8 0.0 . . . . ?
Pt1 C1 C9 C8 174.7(4) . . . . ?
C5 C1 C9 C10 -177.1(9) . . . . ?
Pt1 C1 C9 C10 -2.4(8) . . . . ?
N2 C15 C16 C17 0(2) . . . . ?
C14 C15 C16 C17 176.7(14) . . . . ?
C15 C16 C17 C18 -1(3) . . . . ?
C15 C16 C17 C20 -175.9(15) . . . . ?
C16 C17 C18 C19 0(3) . . . . ?
C20 C17 C18 C19 175.7(14) . . . . ?
C16 C17 C18 C23 -176.1(16) . . . . ?
C20 C17 C18 C23 -1(2) . . . . ?
C17 C18 C19 N2 1(2) . . . . ?
C23 C18 C19 N2 177.8(15) . . . . ?
C16 C17 C20 C21 178.4(16) . . . . ?
C18 C17 C20 C21 3(2) . . . . ?
C17 C20 C21 C22 -53.2(19) . . . . ?
C17 C20 C21 C24 45(2) . . . . ?
C20 C21 C22 C23 87.2(14) . . . . ?
C24 C21 C22 C23 -27.8(11) . . . . ?
C17 C18 C23 C24 -45(2) . . . . ?
C19 C18 C23 C24 138.7(16) . . . . ?
C17 C18 C23 C22 42(2) . . . . ?
C19 C18 C23 C22 -134.5(16) . . . . ?
C21 C22 C23 C18 -75.6(14) . . . . ?
C21 C22 C23 C24 27.2(11) . . . . ?
C22 C21 C24 C26 149.2(14) . . . . ?
C20 C21 C24 C26 38(2) . . . . ?
C22 C21 C24 C25 -79.8(17) . . . . ?
C20 C21 C24 C25 168.8(16) . . . . ?
C22 C21 C24 C23 28.6(11) . . . . ?
C20 C21 C24 C23 -82.8(16) . . . . ?
C18 C23 C24 C26 -43(2) . . . . ?
C22 C23 C24 C26 -145.2(16) . . . . ?
C18 C23 C24 C25 -170.5(14) . . . . ?
C22 C23 C24 C25 87.1(14) . . . . ?
C18 C23 C24 C21 75.7(14) . . . . ?
C22 C23 C24 C21 -26.7(11) . . . . ?
C31 C3 C27 C28 -2(2) . . . . ?
Pt2 C3 C27 C28 -173.8(13) . . . . ?
C3 C27 C28 C29 -3(3) . . . . ?
C27 C28 C29 C30 6(3) . . . . ?
C28 C29 C30 C31 -4(3) . . . . ?
C29 C30 C31 C32 171.5(15) . . . . ?
C29 C30 C31 C3 0(2) . . . . ?
C27 C3 C31 C30 3(2) . . . . ?
Pt2 C3 C31 C30 175.8(12) . . . . ?
C27 C3 C31 C32 -169.8(13) . . . . ?
Pt2 C3 C31 C32 2.8(18) . . . . ?
N4 C37 C38 C39 0.0 . . . . ?
C36 C37 C38 C39 169.9(8) . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C37 C38 C39 C42 -173.4(11) . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C42 C39 C40 C41 173.6(11) . . . . ?
C38 C39 C40 C45 -169.9(10) . . . . ?
C42 C39 C40 C45 3.8(12) . . . . ?
C39 C40 C41 N4 0.0 . . . . ?
C45 C40 C41 N4 169.2(10) . . . . ?
C40 C41 N4 C37 0.0 . . . . ?
C40 C41 N4 Pt2 -177.0(6) . . . . ?
C38 C37 N4 C41 0.0 . . . . ?
C36 C37 N4 C41 -170.7(8) . . . . ?
C38 C37 N4 Pt2 177.4(5) . . . . ?
C36 C37 N4 Pt2 6.7(7) . . . . ?
C38 C39 C42 C43 172.9(9) . . . . ?
C40 C39 C42 C43 -0.6(15) . . . . ?
C39 C42 C43 C44 -48.6(18) . . . . ?
C39 C42 C43 C46 45.4(15) . . . . ?
C42 C43 C44 C45 81.9(14) . . . . ?
C46 C43 C44 C45 -31.4(9) . . . . ?
C41 C40 C45 C44 -128.3(10) . . . . ?
C39 C40 C45 C44 41.3(15) . . . . ?
C41 C40 C45 C46 137.8(11) . . . . ?
C39 C40 C45 C46 -52.6(13) . . . . ?
C43 C44 C45 C40 -76.3(13) . . . . ?
C43 C44 C45 C46 32.5(11) . . . . ?
C40 C45 C46 C48 -37(2) . . . . ?
C44 C45 C46 C48 -149.6(16) . . . . ?
C40 C45 C46 C47 -166.7(13) . . . . ?
C44 C45 C46 C47 80.7(15) . . . . ?
C40 C45 C46 C43 81.4(11) . . . . ?
C44 C45 C46 C43 -31.2(9) . . . . ?
C42 C43 C46 C48 37.0(17) . . . . ?
C44 C43 C46 C48 149.6(13) . . . . ?
C42 C43 C46 C47 168.0(14) . . . . ?
C44 C43 C46 C47 -79.4(14) . . . . ?
C42 C43 C46 C45 -81.4(13) . . . . ?
C44 C43 C46 C45 31.2(9) . . . . ?
N5 C49 C50 C51 177.1(8) . . . . ?
C54 C49 C50 C51 0.0 . . . . ?
N5 C49 C50 C55 10.1(11) . . . . ?
C54 C49 C50 C55 -167.0(10) . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C55 C50 C51 C52 169.4(8) . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C52 C53 C54 C49 0.0 . . . . ?
C52 C53 C54 C56 167.3(9) . . . . ?
N5 C49 C54 C53 -176.7(9) . . . . ?
C50 C49 C54 C53 0.0 . . . . ?
N5 C49 C54 C56 15.8(11) . . . . ?
C50 C49 C54 C56 -167.5(9) . . . . ?
C62 C57 C58 C59 0.0 . . . . ?
N6 C57 C58 C59 -179.0(9) . . . . ?
C62 C57 C58 C63 -171.6(8) . . . . ?
N6 C57 C58 C63 9.4(10) . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C63 C58 C59 C60 170.0(9) . . . . ?
C58 C59 C60 C61 0.0 . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C60 C61 C62 C57 0.0 . . . . ?
C60 C61 C62 C64 167.7(8) . . . . ?
C58 C57 C62 C61 0.0 . . . . ?
N6 C57 C62 C61 179.1(8) . . . . ?
C58 C57 C62 C64 -167.9(8) . . . . ?
N6 C57 C62 C64 11.2(9) . . . . ?
C8 C9 C10 C11 9.2(9) . . . . ?
C1 C9 C10 C11 -173.6(6) . . . . ?
C8 C9 C10 N1 -173.6(4) . . . . ?
C1 C9 C10 N1 3.6(9) . . . . ?
N1 C10 C11 C12 0.0 . . . . ?
C9 C10 C11 C12 176.9(8) . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 N1 0.0 . . . . ?
C12 C13 C14 C15 179.4(11) . . . . ?
N2 C15 C14 C13 173.5(10) . . . . ?
C16 C15 C14 C13 -3.4(18) . . . . ?
N2 C15 C14 N1 -7.0(15) . . . . ?
C16 C15 C14 N1 176.1(11) . . . . ?
C13 C14 N1 C10 0.0 . . . . ?
C15 C14 N1 C10 -179.6(9) . . . . ?
C13 C14 N1 Pt1 -174.2(6) . . . . ?
C15 C14 N1 Pt1 6.2(8) . . . . ?
C11 C10 N1 C14 0.0 . . . . ?
C9 C10 N1 C14 -177.5(7) . . . . ?
C11 C10 N1 Pt1 174.6(6) . . . . ?
C9 C10 N1 Pt1 -2.9(6) . . . . ?
C16 C15 N2 C19 2(2) . . . . ?
C14 C15 N2 C19 -175.2(13) . . . . ?
C16 C15 N2 Pt1 -178.3(11) . . . . ?
C14 C15 N2 Pt1 4.9(17) . . . . ?
C18 C19 N2 C15 -2(2) . . . . ?
C18 C19 N2 Pt1 177.7(12) . . . . ?
C30 C31 C32 C33 11(2) . . . . ?
C3 C31 C32 C33 -176.9(10) . . . . ?
C30 C31 C32 N3 -174.0(14) . . . . ?
C3 C31 C32 N3 -1.8(15) . . . . ?
N3 C32 C33 C34 0.0 . . . . ?
C31 C32 C33 C34 174.7(11) . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 N3 0.0 . . . . ?
C34 C35 C36 C37 179.8(9) . . . . ?
C38 C37 C36 N3 -177.5(5) . . . . ?
N4 C37 C36 N3 -7.2(8) . . . . ?
C38 C37 C36 C35 2.7(10) . . . . ?
N4 C37 C36 C35 173.0(6) . . . . ?
C35 C36 N3 C32 0.0 . . . . ?
C37 C36 N3 C32 -179.8(8) . . . . ?
C35 C36 N3 Pt2 -175.8(7) . . . . ?
C37 C36 N3 Pt2 4.4(7) . . . . ?
C33 C32 N3 C36 0.0 . . . . ?
C31 C32 N3 C36 -175.6(9) . . . . ?
C33 C32 N3 Pt2 175.7(7) . . . . ?
C31 C32 N3 Pt2 0.2(9) . . . . ?
Pt1 C2 N5 C49 -140(4) . . . . ?
C50 C49 N5 C2 -119(5) . . . . ?
C54 C49 N5 C2 58(5) . . . . ?
Pt2 C4 N6 C57 160(12) . . . . ?
C58 C57 N6 C4 -101(18) . . . . ?
C62 C57 N6 C4 80(18) . . . . ?
C14 N1 Pt1 C2 -139(4) . . . . ?
C10 N1 Pt1 C2 47(4) . . . . ?
C14 N1 Pt1 C1 175.8(5) . . . . ?
C10 N1 Pt1 C1 1.4(4) . . . . ?
C14 N1 Pt1 N2 -3.2(5) . . . . ?
C10 N1 Pt1 N2 -177.6(6) . . . . ?
N5 C2 Pt1 N1 -145(4) . . . . ?
N5 C2 Pt1 C1 -100(5) . . . . ?
N5 C2 Pt1 N2 81(5) . . . . ?
C5 C1 Pt1 N1 174.1(6) . . . . ?
C9 C1 Pt1 N1 0.5(5) . . . . ?
C5 C1 Pt1 C2 -0.9(7) . . . . ?
C9 C1 Pt1 C2 -174.6(6) . . . . ?
C5 C1 Pt1 N2 177.1(13) . . . . ?
C9 C1 Pt1 N2 3.5(15) . . . . ?
C15 N2 Pt1 N1 -1.1(10) . . . . ?
C19 N2 Pt1 N1 178.9(14) . . . . ?
C15 N2 Pt1 C2 173.8(11) . . . . ?
C19 N2 Pt1 C2 -6.1(14) . . . . ?
C15 N2 Pt1 C1 -4(2) . . . . ?
C19 N2 Pt1 C1 175.9(11) . . . . ?
N6 C4 Pt2 C3 -63(10) . . . . ?
N6 C4 Pt2 N3 165(8) . . . . ?
N6 C4 Pt2 N4 115(10) . . . . ?
C31 C3 Pt2 C4 179.9(13) . . . . ?
C27 C3 Pt2 C4 -8.0(15) . . . . ?
C31 C3 Pt2 N3 -2.1(12) . . . . ?
C27 C3 Pt2 N3 170.0(15) . . . . ?
C31 C3 Pt2 N4 4(2) . . . . ?
C27 C3 Pt2 N4 176.4(11) . . . . ?
C36 N3 Pt2 C4 -52(12) . . . . ?
C32 N3 Pt2 C4 133(12) . . . . ?
C36 N3 Pt2 C3 176.8(7) . . . . ?
C32 N3 Pt2 C3 1.1(6) . . . . ?
C36 N3 Pt2 N4 -0.7(4) . . . . ?
C32 N3 Pt2 N4 -176.4(6) . . . . ?
C41 N4 Pt2 C4 -8.2(6) . . . . ?
C37 N4 Pt2 C4 174.6(6) . . . . ?
C41 N4 Pt2 C3 167.5(14) . . . . ?
C37 N4 Pt2 C3 -9.7(16) . . . . ?
C41 N4 Pt2 N3 173.9(5) . . . . ?
C37 N4 Pt2 N3 -3.3(5) . . . . ?
F1 C65 S1 O1 61(3) . . . . ?
F3 C65 S1 O1 -171(2) . . . . ?
F2 C65 S1 O1 -60(2) . . . . ?
F1 C65 S1 O3 -61(3) . . . . ?
F3 C65 S1 O3 67(2) . . . . ?
F2 C65 S1 O3 178.5(17) . . . . ?
F1 C65 S1 O2 -174(3) . . . . ?
F3 C65 S1 O2 -46(2) . . . . ?
F2 C65 S1 O2 65(2) . . . . ?
F4 C66 S2 O6 179.5(17) . . . . ?
F6 C66 S2 O6 55.1(16) . . . . ?
F5 C66 S2 O6 -62.2(17) . . . . ?
F4 C66 S2 O5 -60.6(18) . . . . ?
F6 C66 S2 O5 175.0(14) . . . . ?
F5 C66 S2 O5 57.7(17) . . . . ?
F4 C66 S2 O4 61.4(19) . . . . ?
F6 C66 S2 O4 -63.0(16) . . . . ?
F5 C66 S2 O4 179.6(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         2.208
_refine_diff_density_min         -1.487
_refine_diff_density_rms         0.159
