# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_1_sqd
_database_code_depnum_ccdc_archive 'CCDC 1497543'
_audit_update_record             
;
2016-08-04 deposited with the CCDC.
2017-01-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C41 H43 N3 O2 Pt'
_chemical_formula_weight         804.87

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic'
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   14.3531(8)
_cell_length_b                   26.4522(15)
_cell_length_c                   20.1764(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.8190(11)
_cell_angle_gamma                90.00
_cell_volume                     7332.7(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7712
_cell_measurement_theta_min      2.54
_cell_measurement_theta_max      24.63

_exptl_crystal_description       block
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3232
_exptl_absorpt_coefficient_mu    3.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4218
_exptl_absorpt_correction_T_max  0.4835
_exptl_absorpt_process_details   sadabs

_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 APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            47538
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.31
_diffrn_reflns_theta_max         27.67
_reflns_number_total             17025
_reflns_number_gt                11053
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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. 
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.014 0.189 0.094 7 0 ' '
2 0.014 0.311 0.594 7 0 ' '
3 0.028 0.750 0.146 7 0 ' '
4 0.028 0.750 0.646 7 0 ' '
5 0.058 0.232 0.191 15 0 ' '
6 0.058 0.267 0.691 15 0 ' '
7 0.121 0.098 0.596 12 0 ' '
8 0.121 0.402 0.096 12 0 ' '
9 0.139 0.129 0.240 7 0 ' '
10 0.139 0.371 0.740 7 0 ' '
11 0.365 0.705 0.513 48 6 ' '
12 0.365 0.795 0.013 48 6 ' '
13 0.277 0.109 0.287 12 0 ' '
14 0.277 0.391 0.787 12 0 ' '
15 0.280 0.020 0.627 15 0 ' '
16 0.280 0.480 0.127 15 0 ' '
17 0.397 0.172 0.242 14 0 ' '
18 0.397 0.328 0.742 14 0 ' '
19 0.635 0.205 0.987 48 6 ' '
20 0.635 0.295 0.487 47 6 ' '
21 0.605 0.670 0.257 14 0 ' '
22 0.605 0.830 0.757 14 0 ' '
23 0.719 0.520 0.872 16 0 ' '
24 0.719 0.980 0.372 16 0 ' '
25 0.732 0.609 0.214 12 0 ' '
26 0.732 0.891 0.714 12 0 ' '
27 0.878 0.598 0.904 12 0 ' '
28 0.871 0.630 0.264 6 0 ' '
29 0.871 0.870 0.764 6 0 ' '
30 0.879 0.902 0.404 12 0 ' '
31 0.945 0.729 0.316 16 0 ' '
32 0.945 0.771 0.816 16 0 ' '
33 0.972 0.250 0.354 8 0 ' '
34 0.972 0.250 0.854 8 0 ' '
35 0.992 0.686 0.416 6 0 ' '
36 0.992 0.814 0.916 6 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_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)+(0.0411P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17025
_refine_ls_number_parameters     868
_refine_ls_number_restraints     126
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0411
_refine_ls_wR_factor_ref         0.0917
_refine_ls_wR_factor_gt          0.0831
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1534(5) 0.9230(2) 0.9009(3) 0.0669(17) Uani 1 1 d . . .
C2 C 0.1455(4) 0.8939(2) 0.8345(3) 0.0516(14) Uani 1 1 d . . .
C3 C 0.0813(4) 0.8558(2) 0.8050(3) 0.0633(16) Uani 1 1 d . . .
H3A H 0.0343 0.8451 0.8255 0.076 Uiso 1 1 calc R . .
C4 C 0.0879(4) 0.8339(2) 0.7452(3) 0.0648(16) Uani 1 1 d . . .
H4A H 0.0461 0.8075 0.7255 0.078 Uiso 1 1 calc R . .
C5 C 0.1561(4) 0.8503(2) 0.7134(3) 0.0538(14) Uani 1 1 d . . .
H5A H 0.1589 0.8356 0.6722 0.065 Uiso 1 1 calc R . .
C6 C 0.2191(3) 0.88818(18) 0.7429(3) 0.0419(11) Uani 1 1 d . . .
C7 C 0.3000(3) 0.91160(18) 0.7214(2) 0.0397(11) Uani 1 1 d . . .
C8 C 0.3232(3) 0.89720(18) 0.6617(2) 0.0426(12) Uani 1 1 d . . .
H8A H 0.2855 0.8732 0.6322 0.051 Uiso 1 1 calc R . .
C9 C 0.4030(3) 0.91880(18) 0.6463(2) 0.0413(11) Uani 1 1 d . . .
C10 C 0.4575(3) 0.95363(18) 0.6930(3) 0.0428(12) Uani 1 1 d . . .
H10A H 0.5114 0.9678 0.6834 0.051 Uiso 1 1 calc R . .
C11 C 0.4369(3) 0.96910(17) 0.7541(2) 0.0367(11) Uani 1 1 d . . .
C12 C 0.3559(3) 0.94771(17) 0.7684(2) 0.0380(11) Uani 1 1 d . . .
C13 C 0.4349(4) 0.9045(2) 0.5827(3) 0.0516(14) Uani 1 1 d . . .
C14 C 0.4503(6) 0.9522(2) 0.5444(3) 0.088(2) Uani 1 1 d . . .
H14A H 0.3898 0.9701 0.5281 0.132 Uiso 1 1 calc R . .
H14B H 0.4730 0.9429 0.5057 0.132 Uiso 1 1 calc R . .
H14C H 0.4977 0.9734 0.5753 0.132 Uiso 1 1 calc R . .
C15 C 0.3613(5) 0.8711(3) 0.5335(3) 0.095(3) Uani 1 1 d . . .
H15A H 0.3003 0.8886 0.5177 0.142 Uiso 1 1 calc R . .
H15B H 0.3526 0.8407 0.5570 0.142 Uiso 1 1 calc R . .
H15C H 0.3841 0.8627 0.4946 0.142 Uiso 1 1 calc R . .
C16 C 0.5334(5) 0.8770(2) 0.6079(4) 0.0779(19) Uani 1 1 d . . .
H16A H 0.5257 0.8466 0.6317 0.117 Uiso 1 1 calc R . .
H16B H 0.5799 0.8986 0.6389 0.117 Uiso 1 1 calc R . .
H16C H 0.5561 0.8687 0.5690 0.117 Uiso 1 1 calc R . .
C17 C 0.5076(3) 1.00716(18) 0.8002(3) 0.0421(11) Uani 1 1 d . . .
C18 C 0.6095(3) 0.98284(17) 0.8221(2) 0.0385(11) Uani 1 1 d . . .
C19 C 0.6395(4) 0.94131(19) 0.8635(3) 0.0470(12) Uani 1 1 d . A .
H19A H 0.5969 0.9256 0.8841 0.056 Uiso 1 1 calc R . .
C20 C 0.7332(4) 0.92275(19) 0.8749(3) 0.0487(13) Uani 1 1 d . . .
C21 C 0.7952(4) 0.9485(2) 0.8446(3) 0.0556(14) Uani 1 1 d . A .
H21A H 0.8587 0.9369 0.8527 0.067 Uiso 1 1 calc R . .
C22 C 0.7667(4) 0.9896(2) 0.8038(3) 0.0559(14) Uani 1 1 d . . .
H22A H 0.8101 1.0056 0.7842 0.067 Uiso 1 1 calc R A .
C23 C 0.6711(3) 1.00812(18) 0.7912(3) 0.0459(12) Uani 1 1 d . A .
C24 C 0.6195(4) 1.04984(18) 0.7491(3) 0.0445(12) Uani 1 1 d . . .
C25 C 0.6464(4) 1.08500(19) 0.7080(3) 0.0529(14) Uani 1 1 d . A .
H25A H 0.7096 1.0850 0.7044 0.063 Uiso 1 1 calc R . .
C26 C 0.5797(4) 1.12050(19) 0.6718(3) 0.0526(13) Uani 1 1 d . . .
H26A H 0.5990 1.1443 0.6444 0.063 Uiso 1 1 calc R A .
C27 C 0.4840(4) 1.12113(18) 0.6758(3) 0.0478(12) Uani 1 1 d . A .
C28 C 0.4581(4) 1.08560(18) 0.7194(3) 0.0482(13) Uani 1 1 d . . .
H28A H 0.3953 1.0856 0.7237 0.058 Uiso 1 1 calc R A .
C29 C 0.5245(4) 1.05109(17) 0.7554(3) 0.0417(12) Uani 1 1 d . A .
C30 C 0.4079(4) 1.1587(2) 0.6341(3) 0.0568(14) Uani 1 1 d . . .
C31 C 0.4491(6) 1.1953(2) 0.5904(4) 0.085(2) Uani 1 1 d . A .
H31A H 0.3986 1.2178 0.5655 0.128 Uiso 1 1 calc R . .
H31B H 0.4732 1.1764 0.5582 0.128 Uiso 1 1 calc R . .
H31C H 0.5013 1.2145 0.6203 0.128 Uiso 1 1 calc R . .
C32 C 0.3712(6) 1.1909(3) 0.6834(4) 0.101(3) Uani 1 1 d . A .
H32A H 0.3437 1.1696 0.7113 0.152 Uiso 1 1 calc R . .
H32B H 0.3223 1.2138 0.6574 0.152 Uiso 1 1 calc R . .
H32C H 0.4243 1.2098 0.7128 0.152 Uiso 1 1 calc R . .
C33 C 0.3256(6) 1.1293(3) 0.5851(5) 0.129(3) Uani 1 1 d . A .
H33A H 0.2980 1.1064 0.6112 0.194 Uiso 1 1 calc R . .
H33B H 0.3503 1.1105 0.5532 0.194 Uiso 1 1 calc R . .
H33C H 0.2763 1.1523 0.5600 0.194 Uiso 1 1 calc R . .
C34 C 0.7676(4) 0.8747(2) 0.9182(3) 0.0605(15) Uani 0.50 1 d P A 1
C35 C 0.8565(11) 0.8814(6) 0.9747(9) 0.094(4) Uani 0.50 1 d PU A 1
H35A H 0.9068 0.8944 0.9567 0.142 Uiso 0.50 1 calc PR A 1
H35B H 0.8766 0.8495 0.9968 0.142 Uiso 0.50 1 calc PR A 1
H35C H 0.8449 0.9048 1.0078 0.142 Uiso 0.50 1 calc PR A 1
C36 C 0.7858(14) 0.8336(5) 0.8677(8) 0.098(5) Uani 0.50 1 d PU A 1
H36A H 0.8353 0.8451 0.8479 0.147 Uiso 0.50 1 calc PR A 1
H36B H 0.7267 0.8275 0.8315 0.147 Uiso 0.50 1 calc PR A 1
H36C H 0.8067 0.8028 0.8928 0.147 Uiso 0.50 1 calc PR A 1
C37 C 0.6863(9) 0.8528(5) 0.9481(8) 0.077(4) Uani 0.50 1 d PU A 1
H37A H 0.7102 0.8231 0.9748 0.115 Uiso 0.50 1 calc PR A 1
H37B H 0.6300 0.8443 0.9106 0.115 Uiso 0.50 1 calc PR A 1
H37C H 0.6689 0.8777 0.9771 0.115 Uiso 0.50 1 calc PR A 1
C38 C 0.4822(4) 1.02619(18) 0.8639(3) 0.0450(12) Uani 1 1 d . . .
C39 C 0.4898(5) 1.0694(2) 0.9587(3) 0.0726(18) Uani 1 1 d . . .
H39A H 0.5100 1.0922 0.9951 0.087 Uiso 1 1 calc R . .
C40 C 0.4126(5) 1.0389(2) 0.9470(3) 0.0606(15) Uani 1 1 d . . .
H40A H 0.3698 1.0364 0.9737 0.073 Uiso 1 1 calc R . .
C41 C 0.6249(5) 1.0867(3) 0.9061(4) 0.095(3) Uani 1 1 d . . .
H41A H 0.6430 1.0755 0.8663 0.142 Uiso 1 1 calc R . .
H41B H 0.6758 1.0786 0.9474 0.142 Uiso 1 1 calc R . .
H41C H 0.6148 1.1226 0.9034 0.142 Uiso 1 1 calc R . .
C42 C 0.6264(5) 0.2485(3) 0.8181(4) 0.079(2) Uani 1 1 d . . .
C43 C 0.6319(4) 0.2686(2) 0.7496(4) 0.0642(16) Uani 1 1 d . . .
C44 C 0.5769(4) 0.3063(2) 0.7102(4) 0.079(2) Uani 1 1 d . . .
H44A H 0.5284 0.3225 0.7243 0.094 Uiso 1 1 calc R . .
C45 C 0.5954(5) 0.3194(2) 0.6495(4) 0.080(2) Uani 1 1 d . . .
H45A H 0.5601 0.3455 0.6231 0.096 Uiso 1 1 calc R . .
C46 C 0.6658(4) 0.2945(2) 0.6264(4) 0.0685(17) Uani 1 1 d . . .
H46A H 0.6760 0.3031 0.5844 0.082 Uiso 1 1 calc R . .
C47 C 0.7202(4) 0.2569(2) 0.6672(3) 0.0554(14) Uani 1 1 d . . .
C48 C 0.8000(3) 0.22544(19) 0.6559(3) 0.0461(12) Uani 1 1 d . . .
C49 C 0.8337(4) 0.22993(19) 0.5990(3) 0.0516(13) Uani 1 1 d . . .
H49A H 0.8051 0.2532 0.5646 0.062 Uiso 1 1 calc R . .
C50 C 0.9104(4) 0.20001(19) 0.5924(3) 0.0479(13) Uani 1 1 d . . .
C51 C 0.9488(3) 0.16520(18) 0.6445(2) 0.0427(12) Uani 1 1 d . . .
H51A H 0.9996 0.1447 0.6404 0.051 Uiso 1 1 calc R . .
C52 C 0.9162(3) 0.15897(17) 0.7024(2) 0.0369(10) Uani 1 1 d . . .
C53 C 0.8412(3) 0.19012(18) 0.7099(3) 0.0436(12) Uani 1 1 d . . .
C54 C 0.9520(6) 0.2054(3) 0.5308(4) 0.0899(19) Uani 1 1 d U . .
C55 C 0.9126(7) 0.2462(4) 0.4838(5) 0.140(3) Uani 1 1 d U . .
H55A H 0.9230 0.2776 0.5086 0.210 Uiso 1 1 calc R . .
H55B H 0.8440 0.2409 0.4635 0.210 Uiso 1 1 calc R . .
H55C H 0.9444 0.2471 0.4480 0.210 Uiso 1 1 calc R . .
C56 C 0.9389(7) 0.1540(3) 0.4915(5) 0.133(2) Uani 1 1 d U . .
H56A H 0.8708 0.1472 0.4715 0.199 Uiso 1 1 calc R . .
H56B H 0.9677 0.1274 0.5232 0.199 Uiso 1 1 calc R . .
H56C H 0.9702 0.1556 0.4554 0.199 Uiso 1 1 calc R . .
C57 C 1.0620(6) 0.2084(4) 0.5569(5) 0.130(2) Uani 1 1 d U . .
H57A H 1.0808 0.2393 0.5822 0.194 Uiso 1 1 calc R . .
H57B H 1.0884 0.2076 0.5183 0.194 Uiso 1 1 calc R . .
H57C H 1.0865 0.1801 0.5868 0.194 Uiso 1 1 calc R . .
C58 C 0.9721(3) 0.12036(17) 0.7569(2) 0.0385(11) Uani 1 1 d . . .
C59 C 0.9842(3) 0.07041(17) 0.7202(2) 0.0362(10) Uani 1 1 d . . .
C60 C 0.9137(4) 0.03997(18) 0.6798(3) 0.0467(12) Uani 1 1 d . . .
H60A H 0.8486 0.0477 0.6739 0.056 Uiso 1 1 calc R . .
C61 C 0.9372(4) -0.00287(19) 0.6468(3) 0.0528(13) Uani 1 1 d . . .
C62 C 1.0366(5) -0.0122(2) 0.6582(3) 0.0639(16) Uani 1 1 d . . .
H62A H 1.0549 -0.0407 0.6380 0.077 Uiso 1 1 calc R . .
C63 C 1.1091(4) 0.0188(2) 0.6981(3) 0.0562(14) Uani 1 1 d . . .
H63A H 1.1743 0.0116 0.7036 0.067 Uiso 1 1 calc R . .
C64 C 1.0828(4) 0.06070(17) 0.7294(2) 0.0417(11) Uani 1 1 d . . .
C65 C 1.1405(3) 0.10078(17) 0.7722(2) 0.0386(11) Uani 1 1 d . . .
C66 C 1.2403(4) 0.1088(2) 0.7960(3) 0.0527(13) Uani 1 1 d . . .
H66A H 1.2836 0.0845 0.7892 0.063 Uiso 1 1 calc R . .
C67 C 1.2742(4) 0.1538(2) 0.8303(3) 0.0521(13) Uani 1 1 d . . .
H67A H 1.3411 0.1588 0.8468 0.063 Uiso 1 1 calc R . .
C68 C 1.2138(4) 0.19128(19) 0.8409(2) 0.0457(12) Uani 1 1 d . . .
C69 C 1.1129(4) 0.18140(18) 0.8202(2) 0.0419(11) Uani 1 1 d . . .
H69A H 1.0699 0.2048 0.8294 0.050 Uiso 1 1 calc R . .
C70 C 1.0778(3) 0.13668(17) 0.7861(2) 0.0369(11) Uani 1 1 d . . .
C71 C 1.2510(4) 0.2427(2) 0.8690(3) 0.0606(16) Uani 1 1 d . . .
C72 C 1.3594(5) 0.2409(3) 0.9101(4) 0.097(2) Uani 1 1 d . . .
H72A H 1.3963 0.2277 0.8812 0.145 Uiso 1 1 calc R . .
H72B H 1.3679 0.2194 0.9498 0.145 Uiso 1 1 calc R . .
H72C H 1.3817 0.2743 0.9251 0.145 Uiso 1 1 calc R . .
C73 C 1.1947(5) 0.2643(2) 0.9172(3) 0.080(2) Uani 1 1 d . . .
H73A H 1.1266 0.2660 0.8927 0.120 Uiso 1 1 calc R . .
H73B H 1.2183 0.2975 0.9320 0.120 Uiso 1 1 calc R . .
H73C H 1.2040 0.2427 0.9568 0.120 Uiso 1 1 calc R . .
C74 C 1.2371(7) 0.2780(3) 0.8064(4) 0.119(3) Uani 1 1 d . . .
H74A H 1.2731 0.2652 0.7767 0.179 Uiso 1 1 calc R . .
H74B H 1.2602 0.3112 0.8221 0.179 Uiso 1 1 calc R . .
H74C H 1.1693 0.2797 0.7812 0.179 Uiso 1 1 calc R . .
C75 C 0.8603(6) -0.0356(3) 0.6011(4) 0.086 Uani 1 1 d U . .
C76 C 0.8778(7) -0.0905(3) 0.6183(6) 0.156(3) Uani 1 1 d U . .
H76A H 0.9428 -0.0992 0.6184 0.234 Uiso 1 1 calc R . .
H76B H 0.8320 -0.1104 0.5843 0.234 Uiso 1 1 calc R . .
H76C H 0.8701 -0.0969 0.6632 0.234 Uiso 1 1 calc R . .
C77 C 0.8627(8) -0.0281(4) 0.5280(5) 0.155(3) Uani 1 1 d U . .
H77A H 0.9270 -0.0350 0.5250 0.233 Uiso 1 1 calc R . .
H77B H 0.8456 0.0062 0.5142 0.233 Uiso 1 1 calc R . .
H77C H 0.8171 -0.0506 0.4979 0.233 Uiso 1 1 calc R . .
C78 C 0.7569(6) -0.0254(3) 0.6014(5) 0.123(3) Uani 1 1 d U . .
H78A H 0.7510 -0.0315 0.6469 0.184 Uiso 1 1 calc R . .
H78B H 0.7135 -0.0474 0.5688 0.184 Uiso 1 1 calc R . .
H78C H 0.7406 0.0091 0.5886 0.184 Uiso 1 1 calc R . .
C79 C 0.9305(3) 0.11045(19) 0.8177(2) 0.0426(11) Uani 1 1 d . . .
C80 C 0.9182(4) 0.0794(2) 0.9163(3) 0.0580(15) Uani 1 1 d . . .
H80A H 0.9267 0.0593 0.9554 0.070 Uiso 1 1 calc R . .
C81 C 0.8591(4) 0.1196(2) 0.8992(3) 0.0580(15) Uani 1 1 d . . .
H81A H 0.8200 0.1324 0.9247 0.070 Uiso 1 1 calc R . .
C82 C 1.0338(4) 0.0331(2) 0.8689(3) 0.0656(16) Uani 1 1 d . . .
H82A H 1.0575 0.0350 0.8291 0.098 Uiso 1 1 calc R . .
H82B H 1.0029 0.0010 0.8695 0.098 Uiso 1 1 calc R . .
H82C H 1.0873 0.0367 0.9102 0.098 Uiso 1 1 calc R . .
C34' C 0.7676(4) 0.8747(2) 0.9182(3) 0.0605(15) Uani 0.50 1 d P A 2
C35' C 0.8712(13) 0.8563(7) 0.9174(11) 0.121(6) Uani 0.50 1 d PU A 2
H35D H 0.8882 0.8263 0.9450 0.182 Uiso 0.50 1 calc PR A 2
H35E H 0.9182 0.8823 0.9361 0.182 Uiso 0.50 1 calc PR A 2
H35F H 0.8707 0.8491 0.8707 0.182 Uiso 0.50 1 calc PR A 2
C36' C 0.7034(14) 0.8315(6) 0.8926(10) 0.117(6) Uani 0.50 1 d PU A 2
H36D H 0.6374 0.8407 0.8890 0.176 Uiso 0.50 1 calc PR A 2
H36E H 0.7226 0.8037 0.9242 0.176 Uiso 0.50 1 calc PR A 2
H36F H 0.7081 0.8217 0.8478 0.176 Uiso 0.50 1 calc PR A 2
C37' C 0.7774(18) 0.8852(7) 0.9919(10) 0.132(6) Uani 0.50 1 d PU A 2
H37D H 0.7155 0.8954 0.9968 0.197 Uiso 0.50 1 calc PR A 2
H37E H 0.8241 0.9117 1.0082 0.197 Uiso 0.50 1 calc PR A 2
H37F H 0.7989 0.8552 1.0187 0.197 Uiso 0.50 1 calc PR A 2
N1 N 0.2124(3) 0.90839(15) 0.8030(2) 0.0444(10) Uani 1 1 d . . .
N2 N 0.4080(3) 1.01171(15) 0.8876(2) 0.0460(10) Uani 1 1 d . . .
N3 N 0.5346(3) 1.06131(17) 0.9078(2) 0.0602(12) Uani 1 1 d . . .
N4 N 0.7021(3) 0.24557(16) 0.7271(2) 0.0532(11) Uani 1 1 d . . .
N5 N 0.8663(3) 0.13850(15) 0.8374(2) 0.0442(10) Uani 1 1 d . . .
N6 N 0.9637(3) 0.07346(16) 0.8658(2) 0.0481(10) Uani 1 1 d . . .
O1 O 0.2226(3) 0.95580(15) 0.9199(2) 0.0653(11) Uani 1 1 d . . .
O2 O 0.0912(4) 0.91374(18) 0.9310(2) 0.1000(17) Uani 1 1 d . . .
O3 O 0.6886(3) 0.21432(17) 0.8474(2) 0.0748(12) Uani 1 1 d . . .
O4 O 0.5624(4) 0.2645(2) 0.8418(3) 0.115(2) Uani 1 1 d . . .
Pt1 Pt 0.306845(14) 0.959746(7) 0.847623(10) 0.04204(6) Uani 1 1 d . . .
Pt2 Pt 0.782328(14) 0.193478(8) 0.784958(11) 0.04760(7) 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 O2 1.241(6) . ?
C1 O1 1.292(7) . ?
C1 C2 1.520(8) . ?
C2 N1 1.351(5) . ?
C2 C3 1.380(8) . ?
C3 C4 1.367(8) . ?
C3 H3A 0.9300 . ?
C4 C5 1.386(7) . ?
C4 H4A 0.9300 . ?
C5 C6 1.365(7) . ?
C5 H5A 0.9300 . ?
C6 N1 1.355(6) . ?
C6 C7 1.487(6) . ?
C7 C8 1.392(6) . ?
C7 C12 1.419(7) . ?
C8 C9 1.393(6) . ?
C8 H8A 0.9300 . ?
C9 C10 1.386(7) . ?
C9 C13 1.530(6) . ?
C10 C11 1.409(6) . ?
C10 H10A 0.9300 . ?
C11 C12 1.396(6) . ?
C11 C17 1.537(7) . ?
C12 Pt1 1.950(4) . ?
C13 C15 1.508(8) . ?
C13 C14 1.528(7) . ?
C13 C16 1.541(8) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C38 1.521(6) . ?
C17 C29 1.533(6) . ?
C17 C18 1.541(6) . ?
C18 C19 1.373(7) . ?
C18 C23 1.392(6) . ?
C19 C20 1.387(7) . ?
C19 H19A 0.9300 . ?
C20 C21 1.395(7) . ?
C20 C34 1.540(7) . ?
C21 C22 1.354(7) . ?
C21 H21A 0.9300 . ?
C22 C23 1.409(7) . ?
C22 H22A 0.9300 . ?
C23 C24 1.457(7) . ?
C24 C25 1.374(7) . ?
C24 C29 1.406(6) . ?
C25 C26 1.388(7) . ?
C25 H25A 0.9300 . ?
C26 C27 1.399(7) . ?
C26 H26A 0.9300 . ?
C27 C28 1.409(7) . ?
C27 C30 1.535(7) . ?
C28 C29 1.367(7) . ?
C28 H28A 0.9300 . ?
C30 C32 1.517(8) . ?
C30 C33 1.517(9) . ?
C30 C31 1.538(8) . ?
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 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.456(14) . ?
C34 C36 1.564(15) . ?
C34 C37 1.571(12) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 N2 1.342(6) . ?
C38 N3 1.351(6) . ?
C39 C40 1.336(8) . ?
C39 N3 1.376(7) . ?
C39 H39A 0.9300 . ?
C40 N2 1.382(6) . ?
C40 H40A 0.9300 . ?
C41 N3 1.469(7) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 O4 1.227(7) . ?
C42 O3 1.288(8) . ?
C42 C43 1.505(9) . ?
C43 N4 1.363(6) . ?
C43 C44 1.373(9) . ?
C44 C45 1.370(9) . ?
C44 H44A 0.9300 . ?
C45 C46 1.394(8) . ?
C45 H45A 0.9300 . ?
C46 C47 1.380(8) . ?
C46 H46A 0.9300 . ?
C47 N4 1.341(7) . ?
C47 C48 1.486(7) . ?
C48 C49 1.375(7) . ?
C48 C53 1.427(7) . ?
C49 C50 1.393(7) . ?
C49 H49A 0.9300 . ?
C50 C51 1.386(7) . ?
C50 C54 1.533(7) . ?
C51 C52 1.389(6) . ?
C51 H51A 0.9300 . ?
C52 C53 1.397(6) . ?
C52 C58 1.544(6) . ?
C53 Pt2 1.939(5) . ?
C54 C55 1.439(10) . ?
C54 C57 1.514(11) . ?
C54 C56 1.559(11) . ?
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 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 C70 1.522(6) . ?
C58 C79 1.535(6) . ?
C58 C59 1.548(6) . ?
C59 C60 1.364(7) . ?
C59 C64 1.397(6) . ?
C60 C61 1.404(7) . ?
C60 H60A 0.9300 . ?
C61 C62 1.399(7) . ?
C61 C75 1.494(8) . ?
C62 C63 1.386(8) . ?
C62 H62A 0.9300 . ?
C63 C64 1.382(7) . ?
C63 H63A 0.9300 . ?
C64 C65 1.463(7) . ?
C65 C66 1.389(7) . ?
C65 C70 1.391(6) . ?
C66 C67 1.393(7) . ?
C66 H66A 0.9300 . ?
C67 C68 1.374(7) . ?
C67 H67A 0.9300 . ?
C68 C69 1.410(7) . ?
C68 C71 1.511(7) . ?
C69 C70 1.388(6) . ?
C69 H69A 0.9300 . ?
C71 C74 1.536(8) . ?
C71 C72 1.538(9) . ?
C71 C73 1.542(7) . ?
C72 H72A 0.9600 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 C76 1.495(10) . ?
C75 C77 1.499(11) . ?
C75 C78 1.509(10) . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 N5 1.330(6) . ?
C79 N6 1.363(6) . ?
C80 C81 1.340(8) . ?
C80 N6 1.371(6) . ?
C80 H80A 0.9300 . ?
C81 N5 1.375(6) . ?
C81 H81A 0.9300 . ?
C82 N6 1.456(7) . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C35' H35D 0.9600 . ?
C35' H35E 0.9600 . ?
C35' H35F 0.9600 . ?
C36' H36D 0.9600 . ?
C36' H36E 0.9600 . ?
C36' H36F 0.9600 . ?
C37' H37D 0.9600 . ?
C37' H37E 0.9600 . ?
C37' H37F 0.9600 . ?
N1 Pt1 1.946(4) . ?
N2 Pt1 1.993(4) . ?
N4 Pt2 1.951(5) . ?
N5 Pt2 1.987(4) . ?
O1 Pt1 2.149(3) . ?
O3 Pt2 2.165(3) . ?

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
O2 C1 O1 126.0(6) . . ?
O2 C1 C2 116.8(6) . . ?
O1 C1 C2 117.1(4) . . ?
N1 C2 C3 118.8(5) . . ?
N1 C2 C1 112.9(5) . . ?
C3 C2 C1 128.3(5) . . ?
C4 C3 C2 118.8(5) . . ?
C4 C3 H3A 120.6 . . ?
C2 C3 H3A 120.6 . . ?
C3 C4 C5 120.9(6) . . ?
C3 C4 H4A 119.5 . . ?
C5 C4 H4A 119.5 . . ?
C6 C5 C4 119.8(5) . . ?
C6 C5 H5A 120.1 . . ?
C4 C5 H5A 120.1 . . ?
N1 C6 C5 118.0(4) . . ?
N1 C6 C7 111.1(4) . . ?
C5 C6 C7 130.9(4) . . ?
C8 C7 C12 122.1(4) . . ?
C8 C7 C6 122.7(4) . . ?
C12 C7 C6 115.1(4) . . ?
C7 C8 C9 119.9(5) . . ?
C7 C8 H8A 120.0 . . ?
C9 C8 H8A 120.0 . . ?
C10 C9 C8 117.3(4) . . ?
C10 C9 C13 119.2(4) . . ?
C8 C9 C13 123.4(5) . . ?
C9 C10 C11 124.6(4) . . ?
C9 C10 H10A 117.7 . . ?
C11 C10 H10A 117.7 . . ?
C12 C11 C10 117.5(4) . . ?
C12 C11 C17 125.7(4) . . ?
C10 C11 C17 116.8(4) . . ?
C11 C12 C7 118.5(4) . . ?
C11 C12 Pt1 128.5(4) . . ?
C7 C12 Pt1 112.9(3) . . ?
C15 C13 C14 109.2(5) . . ?
C15 C13 C9 112.0(4) . . ?
C14 C13 C9 110.0(4) . . ?
C15 C13 C16 110.0(5) . . ?
C14 C13 C16 107.7(5) . . ?
C9 C13 C16 107.9(5) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C38 C17 C29 111.4(4) . . ?
C38 C17 C11 116.8(4) . . ?
C29 C17 C11 109.2(4) . . ?
C38 C17 C18 109.6(4) . . ?
C29 C17 C18 100.8(3) . . ?
C11 C17 C18 107.8(4) . . ?
C19 C18 C23 121.9(4) . . ?
C19 C18 C17 127.8(4) . . ?
C23 C18 C17 110.2(4) . . ?
C18 C19 C20 120.2(5) . . ?
C18 C19 H19A 119.9 . . ?
C20 C19 H19A 119.9 . . ?
C19 C20 C21 117.8(5) . . ?
C19 C20 C34 121.5(5) . . ?
C21 C20 C34 120.7(5) . . ?
C22 C21 C20 122.7(5) . . ?
C22 C21 H21A 118.7 . . ?
C20 C21 H21A 118.7 . . ?
C21 C22 C23 119.7(5) . . ?
C21 C22 H22A 120.1 . . ?
C23 C22 H22A 120.1 . . ?
C18 C23 C22 117.7(5) . . ?
C18 C23 C24 110.0(4) . . ?
C22 C23 C24 132.3(5) . . ?
C25 C24 C29 119.3(5) . . ?
C25 C24 C23 132.7(5) . . ?
C29 C24 C23 108.0(4) . . ?
C24 C25 C26 120.2(5) . . ?
C24 C25 H25A 119.9 . . ?
C26 C25 H25A 119.9 . . ?
C25 C26 C27 121.1(5) . . ?
C25 C26 H26A 119.4 . . ?
C27 C26 H26A 119.4 . . ?
C26 C27 C28 118.0(5) . . ?
C26 C27 C30 122.1(5) . . ?
C28 C27 C30 119.9(5) . . ?
C29 C28 C27 120.6(5) . . ?
C29 C28 H28A 119.7 . . ?
C27 C28 H28A 119.7 . . ?
C28 C29 C24 120.8(4) . . ?
C28 C29 C17 128.0(4) . . ?
C24 C29 C17 111.0(4) . . ?
C32 C30 C33 111.3(6) . . ?
C32 C30 C27 109.4(5) . . ?
C33 C30 C27 108.8(5) . . ?
C32 C30 C31 106.6(5) . . ?
C33 C30 C31 107.8(6) . . ?
C27 C30 C31 113.0(5) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 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 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C20 114.1(7) . . ?
C35 C34 C36 108.7(10) . . ?
C20 C34 C36 106.9(7) . . ?
C35 C34 C37 109.0(9) . . ?
C20 C34 C37 111.8(6) . . ?
C36 C34 C37 106.0(9) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N2 C38 N3 108.2(4) . . ?
N2 C38 C17 127.9(4) . . ?
N3 C38 C17 123.9(4) . . ?
C40 C39 N3 108.5(5) . . ?
C40 C39 H39A 125.7 . . ?
N3 C39 H39A 125.7 . . ?
C39 C40 N2 107.2(5) . . ?
C39 C40 H40A 126.4 . . ?
N2 C40 H40A 126.4 . . ?
N3 C41 H41A 109.5 . . ?
N3 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
N3 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O4 C42 O3 124.1(7) . . ?
O4 C42 C43 118.7(7) . . ?
O3 C42 C43 117.2(5) . . ?
N4 C43 C44 119.3(6) . . ?
N4 C43 C42 112.8(6) . . ?
C44 C43 C42 127.9(6) . . ?
C45 C44 C43 118.2(6) . . ?
C45 C44 H44A 120.9 . . ?
C43 C44 H44A 120.9 . . ?
C44 C45 C46 121.8(6) . . ?
C44 C45 H45A 119.1 . . ?
C46 C45 H45A 119.1 . . ?
C47 C46 C45 118.7(6) . . ?
C47 C46 H46A 120.7 . . ?
C45 C46 H46A 120.7 . . ?
N4 C47 C46 118.4(5) . . ?
N4 C47 C48 111.8(5) . . ?
C46 C47 C48 129.8(6) . . ?
C49 C48 C53 121.7(4) . . ?
C49 C48 C47 123.6(5) . . ?
C53 C48 C47 114.7(4) . . ?
C48 C49 C50 120.7(5) . . ?
C48 C49 H49A 119.7 . . ?
C50 C49 H49A 119.7 . . ?
C51 C50 C49 117.2(4) . . ?
C51 C50 C54 120.9(5) . . ?
C49 C50 C54 121.9(5) . . ?
C50 C51 C52 124.0(4) . . ?
C50 C51 H51A 118.0 . . ?
C52 C51 H51A 118.0 . . ?
C51 C52 C53 118.5(4) . . ?
C51 C52 C58 116.4(4) . . ?
C53 C52 C58 124.9(4) . . ?
C52 C53 C48 117.8(4) . . ?
C52 C53 Pt2 129.4(4) . . ?
C48 C53 Pt2 112.8(3) . . ?
C55 C54 C57 111.2(7) . . ?
C55 C54 C50 115.6(6) . . ?
C57 C54 C50 109.6(6) . . ?
C55 C54 C56 110.6(8) . . ?
C57 C54 C56 100.5(7) . . ?
C50 C54 C56 108.3(6) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 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 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C70 C58 C79 108.3(4) . . ?
C70 C58 C52 110.0(4) . . ?
C79 C58 C52 116.0(4) . . ?
C70 C58 C59 101.0(3) . . ?
C79 C58 C59 111.1(4) . . ?
C52 C58 C59 109.4(4) . . ?
C60 C59 C64 121.2(4) . . ?
C60 C59 C58 128.6(4) . . ?
C64 C59 C58 110.0(4) . . ?
C59 C60 C61 121.4(5) . . ?
C59 C60 H60A 119.3 . . ?
C61 C60 H60A 119.3 . . ?
C62 C61 C60 116.0(5) . . ?
C62 C61 C75 122.4(5) . . ?
C60 C61 C75 121.6(5) . . ?
C63 C62 C61 123.4(5) . . ?
C63 C62 H62A 118.3 . . ?
C61 C62 H62A 118.3 . . ?
C64 C63 C62 118.8(5) . . ?
C64 C63 H63A 120.6 . . ?
C62 C63 H63A 120.6 . . ?
C63 C64 C59 119.2(5) . . ?
C63 C64 C65 131.9(5) . . ?
C59 C64 C65 108.9(4) . . ?
C66 C65 C70 119.3(4) . . ?
C66 C65 C64 131.7(4) . . ?
C70 C65 C64 108.9(4) . . ?
C65 C66 C67 118.6(5) . . ?
C65 C66 H66A 120.7 . . ?
C67 C66 H66A 120.7 . . ?
C68 C67 C66 123.3(5) . . ?
C68 C67 H67A 118.3 . . ?
C66 C67 H67A 118.3 . . ?
C67 C68 C69 117.4(5) . . ?
C67 C68 C71 122.5(5) . . ?
C69 C68 C71 120.0(5) . . ?
C70 C69 C68 119.9(4) . . ?
C70 C69 H69A 120.0 . . ?
C68 C69 H69A 120.0 . . ?
C69 C70 C65 121.2(4) . . ?
C69 C70 C58 127.7(4) . . ?
C65 C70 C58 111.0(4) . . ?
C68 C71 C74 107.0(5) . . ?
C68 C71 C72 111.5(5) . . ?
C74 C71 C72 109.5(6) . . ?
C68 C71 C73 112.1(4) . . ?
C74 C71 C73 109.1(6) . . ?
C72 C71 C73 107.7(5) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C61 C75 C76 112.0(7) . . ?
C61 C75 C77 107.8(6) . . ?
C76 C75 C77 107.9(7) . . ?
C61 C75 C78 116.5(6) . . ?
C76 C75 C78 105.8(7) . . ?
C77 C75 C78 106.4(8) . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C75 C77 H77A 109.5 . . ?
C75 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C75 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C75 C78 H78A 109.5 . . ?
C75 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C75 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
N5 C79 N6 108.6(4) . . ?
N5 C79 C58 127.4(4) . . ?
N6 C79 C58 123.7(4) . . ?
C81 C80 N6 107.5(5) . . ?
C81 C80 H80A 126.3 . . ?
N6 C80 H80A 126.3 . . ?
C80 C81 N5 108.4(5) . . ?
C80 C81 H81A 125.8 . . ?
N5 C81 H81A 125.8 . . ?
N6 C82 H82A 109.5 . . ?
N6 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
N6 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
H35D C35' H35E 109.5 . . ?
H35D C35' H35F 109.5 . . ?
H35E C35' H35F 109.5 . . ?
H36D C36' H36E 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
H37D C37' H37E 109.5 . . ?
H37D C37' H37F 109.5 . . ?
H37E C37' H37F 109.5 . . ?
C2 N1 C6 123.6(4) . . ?
C2 N1 Pt1 118.4(4) . . ?
C6 N1 Pt1 118.0(3) . . ?
C38 N2 C40 108.4(4) . . ?
C38 N2 Pt1 127.8(3) . . ?
C40 N2 Pt1 123.7(4) . . ?
C38 N3 C39 107.7(5) . . ?
C38 N3 C41 128.8(5) . . ?
C39 N3 C41 123.5(5) . . ?
C47 N4 C43 123.6(5) . . ?
C47 N4 Pt2 117.5(3) . . ?
C43 N4 Pt2 118.8(4) . . ?
C79 N5 C81 107.9(4) . . ?
C79 N5 Pt2 128.0(3) . . ?
C81 N5 Pt2 123.8(4) . . ?
C79 N6 C80 107.7(4) . . ?
C79 N6 C82 130.7(4) . . ?
C80 N6 C82 121.6(5) . . ?
C1 O1 Pt1 111.5(3) . . ?
C42 O3 Pt2 112.1(4) . . ?
N1 Pt1 C12 82.83(17) . . ?
N1 Pt1 N2 175.74(15) . . ?
C12 Pt1 N2 92.90(18) . . ?
N1 Pt1 O1 80.02(16) . . ?
C12 Pt1 O1 162.85(19) . . ?
N2 Pt1 O1 104.24(16) . . ?
C53 Pt2 N4 83.12(19) . . ?
C53 Pt2 N5 92.74(18) . . ?
N4 Pt2 N5 175.59(16) . . ?
C53 Pt2 O3 162.1(2) . . ?
N4 Pt2 O3 79.04(18) . . ?
N5 Pt2 O3 105.07(17) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.67
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.326
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.096
####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1497611'
_audit_update_record             
;
2016-08-04 deposited with the CCDC.
2017-01-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H42 N2 O2 Pt'
_chemical_formula_weight         801.87
_chemical_absolute_configuration ad

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'

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

_cell_length_a                   10.0732(11)
_cell_length_b                   31.516(3)
_cell_length_c                   11.2075(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.143(2)
_cell_angle_gamma                90.00
_cell_volume                     3512.8(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3199
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      20.72

_exptl_crystal_description       block
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1608
_exptl_absorpt_coefficient_mu    4.032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4090
_exptl_absorpt_correction_T_max  0.4707
_exptl_absorpt_process_details   sadabs

_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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18598
_diffrn_reflns_av_R_equivalents  0.0530
_diffrn_reflns_av_sigmaI/netI    0.0966
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.05
_diffrn_reflns_theta_max         25.01
_reflns_number_total             11424
_reflns_number_gt                9039
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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. 
;

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.006 0.054 0.979 9 0 ' '
2 -0.007 0.554 0.021 9 0 ' '
3 0.208 0.897 0.500 7 0 ' '
4 0.291 0.266 0.262 20 2 ' '
5 0.367 0.351 0.669 57 6 ' '
6 0.503 0.085 0.642 43 0 ' '
7 0.497 0.585 0.358 43 0 ' '
8 0.634 0.850 0.337 58 8 ' '
9 0.709 0.764 0.745 19 2 ' '
10 0.792 0.397 0.500 7 0 ' '
_platon_squeeze_details          
;
;

_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)+(0.0492P)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    mixed
_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   0.041(8)
_refine_ls_number_reflns         11424
_refine_ls_number_parameters     836
_refine_ls_number_restraints     165
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0516
_refine_ls_wR_factor_ref         0.1176
_refine_ls_wR_factor_gt          0.1096
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.002
_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 -0.5275(11) 0.9997(5) 0.0658(12) 0.099(2) Uani 1 1 d U . .
H1A H -0.5185 1.0252 0.1129 0.148 Uiso 1 1 calc R . .
H1B H -0.5232 0.9756 0.1187 0.148 Uiso 1 1 calc R . .
H1C H -0.6124 0.9998 0.0129 0.148 Uiso 1 1 calc R . .
C2 C -0.4323(12) 1.0317(5) -0.1031(12) 0.101(2) Uani 1 1 d U . .
H2A H -0.4464 1.0583 -0.0655 0.152 Uiso 1 1 calc R . .
H2B H -0.5086 1.0253 -0.1633 0.152 Uiso 1 1 calc R . .
H2C H -0.3531 1.0335 -0.1406 0.152 Uiso 1 1 calc R . .
C3 C -0.4143(9) 0.9971(3) -0.0088(9) 0.051 Uani 1 1 d U . .
C4 C -0.4298(11) 0.9561(6) -0.0776(13) 0.125 Uani 1 1 d U . .
H4A H -0.5115 0.9567 -0.1348 0.188 Uiso 1 1 calc R . .
H4B H -0.4330 0.9330 -0.0223 0.188 Uiso 1 1 calc R . .
H4C H -0.3547 0.9523 -0.1197 0.188 Uiso 1 1 calc R . .
C5 C -0.2779(8) 1.0018(3) 0.0728(8) 0.042(2) Uani 1 1 d . . .
C6 C -0.2349(9) 1.0389(3) 0.1397(9) 0.052(3) Uani 1 1 d . . .
H6 H -0.2954 1.0613 0.1370 0.062 Uiso 1 1 calc R . .
C7 C -0.1150(8) 1.0439(3) 0.2057(9) 0.048(3) Uani 1 1 d . . .
H7 H -0.0923 1.0691 0.2472 0.057 Uiso 1 1 calc R . .
C8 C -0.0208(8) 1.0096(3) 0.2116(8) 0.036(2) Uani 1 1 d . . .
C9 C -0.0599(8) 0.9729(3) 0.1505(7) 0.036(2) Uani 1 1 d . . .
C10 C -0.1846(7) 0.9683(3) 0.0818(7) 0.034(2) Uani 1 1 d . . .
H10 H -0.2075 0.9430 0.0412 0.040 Uiso 1 1 calc R . .
C11 C 0.1161(8) 1.0048(3) 0.2774(7) 0.034(2) Uani 1 1 d . . .
C12 C 0.1943(10) 1.0330(3) 0.3577(8) 0.055(3) Uani 1 1 d . . .
H12 H 0.1661 1.0603 0.3728 0.066 Uiso 1 1 calc R . .
C13 C 0.3197(10) 1.0160(4) 0.4137(9) 0.058(3) Uani 1 1 d . . .
H13 H 0.3712 1.0328 0.4719 0.070 Uiso 1 1 calc R . .
C14 C 0.3717(9) 0.9774(3) 0.3898(7) 0.047 Uani 1 1 d . . .
C15 C 0.2983(8) 0.9522(3) 0.3058(8) 0.045 Uani 1 1 d . . .
H15 H 0.3319 0.9264 0.2832 0.054 Uiso 1 1 calc R . .
C16 C 0.1611(9) 0.9672(3) 0.2509(8) 0.043(3) Uani 1 1 d . . .
C17 C 0.4994(9) 0.9651(3) 0.4579(9) 0.114(3) Uani 1 1 d DU . .
C18 C 0.5855(13) 0.9978(3) 0.5348(9) 0.133(3) Uani 1 1 d DU . .
H18A H 0.6666 0.9846 0.5743 0.200 Uiso 1 1 calc RD . .
H18B H 0.5364 1.0090 0.5944 0.200 Uiso 1 1 calc R . .
H18C H 0.6079 1.0204 0.4840 0.200 Uiso 1 1 calc R . .
C19 C 0.4768(14) 0.9312(4) 0.5449(11) 0.130(3) Uani 1 1 d DU . .
H19A H 0.3957 0.9161 0.5145 0.195 Uiso 1 1 calc R . .
H19B H 0.4688 0.9437 0.6215 0.195 Uiso 1 1 calc R . .
H19C H 0.5514 0.9118 0.5548 0.195 Uiso 1 1 calc R . .
C20 C 0.5902(12) 0.9480(4) 0.3768(10) 0.137(3) Uani 1 1 d DU . .
H20A H 0.6818 0.9543 0.4101 0.206 Uiso 1 1 calc RD . .
H20B H 0.5685 0.9608 0.2985 0.206 Uiso 1 1 calc R . .
H20C H 0.5787 0.9178 0.3695 0.206 Uiso 1 1 calc R . .
C21 C 0.0559(8) 0.9411(3) 0.1642(7) 0.036(2) Uani 1 1 d . . .
C22 C 0.0256(9) 0.9026(3) 0.2358(8) 0.042(2) Uani 1 1 d . . .
C23 C -0.0751(9) 0.9068(4) 0.3082(8) 0.053(3) Uani 1 1 d . . .
H23 H -0.1232 0.9320 0.3082 0.064 Uiso 1 1 calc R . .
C24 C -0.1035(12) 0.8715(4) 0.3831(10) 0.071(4) Uani 1 1 d . . .
H24 H -0.1737 0.8735 0.4276 0.085 Uiso 1 1 calc R . .
C25 C -0.0298(11) 0.8357(3) 0.3890(10) 0.064(3) Uani 1 1 d . . .
H25 H -0.0466 0.8127 0.4364 0.076 Uiso 1 1 calc R . .
C26 C 0.0758(10) 0.8353(3) 0.3179(8) 0.051(3) Uani 1 1 d . . .
H26 H 0.1314 0.8116 0.3240 0.061 Uiso 1 1 calc R . .
C27 C 0.1028(8) 0.9322(3) 0.0395(8) 0.039(2) Uani 1 1 d . . .
C28 C 0.0716(9) 0.9618(3) -0.0531(8) 0.040(2) Uani 1 1 d . . .
H28 H 0.0191 0.9853 -0.0413 0.048 Uiso 1 1 calc R . .
C29 C 0.1182(8) 0.9568(3) -0.1637(8) 0.041(2) Uani 1 1 d . . .
C30 C 0.2026(9) 0.9232(3) -0.1770(8) 0.050(3) Uani 1 1 d . . .
H30 H 0.2338 0.9195 -0.2501 0.060 Uiso 1 1 calc R . .
C31 C 0.2417(8) 0.8949(3) -0.0837(7) 0.036(2) Uani 1 1 d . . .
C32 C 0.1853(8) 0.8973(3) 0.0264(8) 0.036(2) Uani 1 1 d . . .
C33 C 0.0699(11) 0.9886(3) -0.2695(9) 0.057(3) Uani 1 1 d . . .
C34 C 0.1830(14) 1.0212(4) -0.2722(11) 0.095(5) Uani 1 1 d . . .
H34A H 0.1596 1.0397 -0.3402 0.143 Uiso 1 1 calc R . .
H34B H 0.2652 1.0066 -0.2790 0.143 Uiso 1 1 calc R . .
H34C H 0.1948 1.0375 -0.1990 0.143 Uiso 1 1 calc R . .
C35 C -0.0665(12) 1.0051(4) -0.2654(10) 0.093(4) Uani 1 1 d . . .
H35A H -0.0650 1.0224 -0.1947 0.139 Uiso 1 1 calc R . .
H35B H -0.1273 0.9818 -0.2625 0.139 Uiso 1 1 calc R . .
H35C H -0.0958 1.0218 -0.3362 0.139 Uiso 1 1 calc R . .
C36 C 0.0592(15) 0.9647(4) -0.3919(9) 0.088(4) Uani 1 1 d . . .
H36A H 0.0157 0.9378 -0.3857 0.132 Uiso 1 1 calc R . .
H36B H 0.1476 0.9601 -0.4110 0.132 Uiso 1 1 calc R . .
H36C H 0.0075 0.9813 -0.4544 0.132 Uiso 1 1 calc R . .
C37 C 0.3378(8) 0.8610(3) -0.0823(7) 0.042(3) Uani 1 1 d . . .
C38 C 0.4209(8) 0.8511(4) -0.1670(9) 0.056(3) Uani 1 1 d . . .
H38 H 0.4209 0.8670 -0.2369 0.067 Uiso 1 1 calc R . .
C39 C 0.5072(10) 0.8146(4) -0.1384(11) 0.065(3) Uani 1 1 d U . .
H39 H 0.5665 0.8059 -0.1893 0.078 Uiso 1 1 calc R . .
C40 C 0.4986(12) 0.7943(4) -0.0394(7) 0.065 Uani 1 1 d . . .
H40 H 0.5387 0.7677 -0.0315 0.078 Uiso 1 1 calc R . .
C41 C 0.4443(8) 0.8061(3) 0.0447(8) 0.045(3) Uani 1 1 d . . .
N3 N 0.3540(7) 0.8390(2) 0.0219(8) 0.048(2) Uani 1 1 d . . .
C43 C 0.4417(9) 0.7842(3) 0.1688(10) 0.060(3) Uani 1 1 d . . .
C44 C -0.2217(13) 0.7213(5) 0.5068(14) 0.103(2) Uani 1 1 d U . .
H44A H -0.3160 0.7252 0.4785 0.155 Uiso 1 1 calc R . .
H44B H -0.1727 0.7452 0.4832 0.155 Uiso 1 1 calc R . .
H44C H -0.2066 0.7190 0.5933 0.155 Uiso 1 1 calc R . .
C45 C -0.1742(10) 0.6812(4) 0.4523(11) 0.075(2) Uani 1 1 d U . .
C46 C -0.2842(13) 0.6513(5) 0.4677(14) 0.103(2) Uani 1 1 d U . .
H46A H -0.3683 0.6624 0.4276 0.155 Uiso 1 1 calc R . .
H46B H -0.2880 0.6479 0.5522 0.155 Uiso 1 1 calc R . .
H46C H -0.2675 0.6243 0.4333 0.155 Uiso 1 1 calc R . .
C47 C -0.1606(14) 0.6948(5) 0.3321(13) 0.106(2) Uani 1 1 d U . .
H47A H -0.2106 0.6761 0.2740 0.158 Uiso 1 1 calc R . .
H47B H -0.0675 0.6943 0.3231 0.158 Uiso 1 1 calc R . .
H47C H -0.1948 0.7231 0.3192 0.158 Uiso 1 1 calc R . .
C48 C -0.0335(8) 0.6643(3) 0.5215(8) 0.042(2) Uani 1 1 d . . .
C49 C 0.0192(8) 0.6263(3) 0.4936(8) 0.042(2) Uani 1 1 d . . .
H49 H -0.0327 0.6083 0.4390 0.051 Uiso 1 1 calc R . .
C50 C 0.1434(9) 0.6141(3) 0.5426(8) 0.042(2) Uani 1 1 d . . .
H50 H 0.1758 0.5882 0.5204 0.051 Uiso 1 1 calc R . .
C51 C 0.2251(8) 0.6393(3) 0.6257(7) 0.037(2) Uani 1 1 d . . .
C52 C 0.1692(7) 0.6798(3) 0.6525(6) 0.0263(19) Uani 1 1 d . . .
C53 C 0.0449(7) 0.6911(3) 0.6019(7) 0.034(2) Uani 1 1 d . . .
H53 H 0.0107 0.7173 0.6209 0.041 Uiso 1 1 calc R . .
C54 C 0.3603(9) 0.6355(3) 0.6896(8) 0.034(2) Uani 1 1 d . . .
C55 C 0.4555(9) 0.6041(3) 0.6950(8) 0.047(3) Uani 1 1 d . . .
H55 H 0.4361 0.5793 0.6506 0.056 Uiso 1 1 calc R . .
C56 C 0.5796(9) 0.6090(3) 0.7657(8) 0.048(3) Uani 1 1 d . . .
H56 H 0.6428 0.5874 0.7669 0.058 Uiso 1 1 calc R . .
C57 C 0.6138(9) 0.6454(3) 0.8359(8) 0.041(2) Uani 1 1 d . . .
C58 C 0.5162(8) 0.6775(3) 0.8295(7) 0.036(2) Uani 1 1 d . . .
H58 H 0.5359 0.7024 0.8736 0.043 Uiso 1 1 calc R . .
C59 C 0.3920(7) 0.6729(3) 0.7592(7) 0.031(2) Uani 1 1 d . . .
C60 C 0.2781(7) 0.7044(3) 0.7407(8) 0.035(2) Uani 1 1 d . . .
C61 C 0.7509(9) 0.6477(3) 0.9131(10) 0.055(3) Uani 1 1 d . . .
C62 C 0.8682(12) 0.6416(6) 0.8473(13) 0.135(7) Uani 1 1 d . . .
H62A H 0.8549 0.6163 0.7990 0.202 Uiso 1 1 calc R . .
H62B H 0.9493 0.6389 0.9048 0.202 Uiso 1 1 calc R . .
H62C H 0.8755 0.6656 0.7960 0.202 Uiso 1 1 calc R . .
C63 C 0.7574(15) 0.6127(5) 1.0185(13) 0.109(4) Uani 1 1 d U . .
H63A H 0.6924 0.6195 1.0696 0.163 Uiso 1 1 calc R . .
H63B H 0.8457 0.6125 1.0656 0.163 Uiso 1 1 calc R . .
H63C H 0.7379 0.5852 0.9830 0.163 Uiso 1 1 calc R . .
C64 C 0.7724(11) 0.6887(4) 0.9893(13) 0.090(5) Uani 1 1 d . . .
H64A H 0.7842 0.7123 0.9377 0.135 Uiso 1 1 calc R . .
H64B H 0.8510 0.6857 1.0495 0.135 Uiso 1 1 calc R . .
H64C H 0.6954 0.6937 1.0280 0.135 Uiso 1 1 calc R . .
C65 C 0.3100(8) 0.7424(3) 0.6643(7) 0.038(2) Uani 1 1 d . . .
C66 C 0.4148(9) 0.7380(3) 0.5943(8) 0.052(3) Uani 1 1 d . . .
H66 H 0.4680 0.7137 0.6012 0.062 Uiso 1 1 calc R . .
C67 C 0.4373(9) 0.7702(3) 0.5155(9) 0.055(3) Uani 1 1 d . . .
H67 H 0.5048 0.7678 0.4681 0.066 Uiso 1 1 calc R . .
C68 C 0.3546(9) 0.8070(3) 0.5091(9) 0.055(3) Uani 1 1 d . . .
H68 H 0.3647 0.8288 0.4553 0.066 Uiso 1 1 calc R . .
C69 C 0.2614(9) 0.8095(4) 0.5825(9) 0.059(3) Uani 1 1 d . . .
H69 H 0.2120 0.8345 0.5826 0.071 Uiso 1 1 calc R . .
C70 C 0.2303(7) 0.7136(3) 0.8611(7) 0.029(2) Uani 1 1 d . . .
C71 C 0.2639(7) 0.6875(3) 0.9594(7) 0.037(2) Uani 1 1 d . . .
H71 H 0.3219 0.6650 0.9519 0.045 Uiso 1 1 calc R . .
C72 C 0.2170(9) 0.6922(3) 1.0713(8) 0.041(2) Uani 1 1 d . . .
C73 C 0.1280(8) 0.7249(3) 1.0788(8) 0.044(2) Uani 1 1 d . . .
H73 H 0.0914 0.7287 1.1491 0.052 Uiso 1 1 calc R . .
C74 C 0.0925(8) 0.7523(3) 0.9812(8) 0.041(2) Uani 1 1 d . . .
C75 C 0.1488(9) 0.7481(3) 0.8740(8) 0.043(3) Uani 1 1 d . . .
C76 C 0.2647(10) 0.6638(3) 1.1814(10) 0.055(3) Uani 1 1 d . . .
C77 C 0.4096(12) 0.6497(5) 1.1882(12) 0.110(5) Uani 1 1 d . . .
H77A H 0.4304 0.6467 1.1080 0.165 Uiso 1 1 calc R . .
H77B H 0.4220 0.6229 1.2293 0.165 Uiso 1 1 calc R . .
H77C H 0.4680 0.6704 1.2317 0.165 Uiso 1 1 calc R . .
C78 C 0.1711(11) 0.6238(4) 1.1658(12) 0.082(4) Uani 1 1 d . . .
H78A H 0.0800 0.6323 1.1681 0.123 Uiso 1 1 calc R . .
H78B H 0.1996 0.6041 1.2302 0.123 Uiso 1 1 calc R . .
H78C H 0.1764 0.6105 1.0897 0.123 Uiso 1 1 calc R . .
C79 C 0.2561(14) 0.6844(4) 1.3013(9) 0.087(5) Uani 1 1 d . . .
H79A H 0.2862 0.7132 1.3002 0.130 Uiso 1 1 calc R . .
H79B H 0.3119 0.6692 1.3645 0.130 Uiso 1 1 calc R . .
H79C H 0.1646 0.6838 1.3155 0.130 Uiso 1 1 calc R . .
C80 C -0.0124(8) 0.7871(3) 0.9747(9) 0.045(2) Uani 1 1 d . . .
C81 C -0.0882(8) 0.7986(3) 1.0625(8) 0.053(3) Uani 1 1 d . . .
H81 H -0.0817 0.7839 1.1352 0.063 Uiso 1 1 calc R . .
C82 C -0.1734(10) 0.8328(4) 1.0376(13) 0.076(4) Uani 1 1 d . . .
H82 H -0.2248 0.8412 1.0955 0.091 Uiso 1 1 calc R . .
C83 C -0.1860(8) 0.8557(4) 0.9270(9) 0.060(3) Uani 1 1 d . . .
H83 H -0.2465 0.8779 0.9084 0.072 Uiso 1 1 calc R . .
C84 C -0.1038(8) 0.8426(3) 0.8520(10) 0.055(3) Uani 1 1 d . . .
N4 N -0.0242(7) 0.8092(2) 0.8728(6) 0.039(2) Uani 1 1 d . . .
C86 C -0.0993(10) 0.8618(3) 0.7248(9) 0.061(3) Uani 1 1 d . . .
N1 N 0.1014(6) 0.8662(2) 0.2431(6) 0.038(2) Uani 1 1 d . . .
N2 N 0.2363(7) 0.7779(2) 0.6554(6) 0.041(2) Uani 1 1 d . . .
O1 O 0.3506(6) 0.7988(2) 0.2277(6) 0.060(2) Uani 1 1 d . . .
O2 O 0.5192(8) 0.7575(2) 0.2015(9) 0.089(3) Uani 1 1 d . . .
O3 O -0.0108(6) 0.8467(2) 0.6656(6) 0.060(2) Uani 1 1 d . . .
O4 O -0.1849(8) 0.8886(3) 0.6842(8) 0.089(3) Uani 1 1 d . . .
Pt1 Pt 0.24195(3) 0.852761(10) 0.13948(3) 0.03959(9) Uani 1 1 d . . .
Pt2 Pt 0.09442(3) 0.793053(11) 0.75761(3) 0.03786(9) 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 C3 1.519(15) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.510(17) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.500(19) . ?
C3 C5 1.532(12) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 C6 1.419(13) . ?
C5 C10 1.406(12) . ?
C6 C7 1.321(12) . ?
C6 H6 0.9300 . ?
C7 C8 1.434(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.368(12) . ?
C8 C11 1.465(11) . ?
C9 C10 1.373(11) . ?
C9 C21 1.528(12) . ?
C10 H10 0.9300 . ?
C11 C16 1.318(13) . ?
C11 C12 1.413(12) . ?
C12 C13 1.423(14) . ?
C12 H12 0.9300 . ?
C13 C14 1.369(15) . ?
C13 H13 0.9300 . ?
C14 C15 1.358(12) . ?
C14 C17 1.442(13) . ?
C15 C16 1.498(12) . ?
C15 H15 0.9300 . ?
C16 C21 1.556(12) . ?
C17 C20 1.488(8) . ?
C17 C19 1.488(12) . ?
C17 C18 1.523(12) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.510(12) . ?
C21 C27 1.569(12) . ?
C22 N1 1.373(11) . ?
C22 C23 1.403(13) . ?
C23 C24 1.452(15) . ?
C23 H23 0.9300 . ?
C24 C25 1.346(15) . ?
C24 H24 0.9300 . ?
C25 C26 1.427(15) . ?
C25 H25 0.9300 . ?
C26 N1 1.337(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.395(12) . ?
C27 C32 1.400(12) . ?
C28 C29 1.403(12) . ?
C28 H28 0.9300 . ?
C29 C30 1.381(13) . ?
C29 C33 1.569(12) . ?
C30 C31 1.383(12) . ?
C30 H30 0.9300 . ?
C31 C37 1.441(12) . ?
C31 C32 1.441(12) . ?
C32 Pt1 1.917(8) . ?
C33 C35 1.477(15) . ?
C33 C34 1.538(16) . ?
C33 C36 1.553(15) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 N3 1.344(11) . ?
C37 C38 1.397(12) . ?
C38 C39 1.448(15) . ?
C38 H38 0.9300 . ?
C39 C40 1.294(14) . ?
C39 H39 0.9300 . ?
C40 C41 1.220(13) . ?
C40 H40 0.9300 . ?
C41 N3 1.378(11) . ?
C41 C43 1.557(15) . ?
N3 Pt1 1.916(8) . ?
C43 O2 1.165(12) . ?
C43 O1 1.296(12) . ?
C44 C45 1.515(19) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C47 1.441(18) . ?
C45 C46 1.485(18) . ?
C45 C48 1.594(13) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 C49 1.367(13) . ?
C48 C53 1.387(12) . ?
C49 C50 1.340(12) . ?
C49 H49 0.9300 . ?
C50 C51 1.390(12) . ?
C50 H50 0.9300 . ?
C51 C52 1.445(12) . ?
C51 C54 1.439(11) . ?
C52 C53 1.338(10) . ?
C52 C60 1.562(11) . ?
C53 H53 0.9300 . ?
C54 C55 1.373(12) . ?
C54 C59 1.422(12) . ?
C55 C56 1.378(12) . ?
C55 H55 0.9300 . ?
C56 C57 1.402(13) . ?
C56 H56 0.9300 . ?
C57 C58 1.406(12) . ?
C57 C61 1.511(12) . ?
C58 C59 1.376(11) . ?
C58 H58 0.9300 . ?
C59 C60 1.507(11) . ?
C60 C70 1.530(12) . ?
C60 C65 1.535(13) . ?
C61 C62 1.502(16) . ?
C61 C64 1.545(16) . ?
C61 C63 1.610(18) . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
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 N2 1.340(11) . ?
C65 C66 1.418(12) . ?
C66 C67 1.389(14) . ?
C66 H66 0.9300 . ?
C67 C68 1.422(13) . ?
C67 H67 0.9300 . ?
C68 C69 1.346(14) . ?
C68 H68 0.9300 . ?
C69 N2 1.337(13) . ?
C69 H69 0.9300 . ?
C70 C71 1.372(11) . ?
C70 C75 1.384(12) . ?
C71 C72 1.417(12) . ?
C71 H71 0.9300 . ?
C72 C73 1.377(13) . ?
C72 C76 1.538(13) . ?
C73 C74 1.395(13) . ?
C73 H73 0.9300 . ?
C74 C75 1.414(13) . ?
C74 C80 1.516(12) . ?
C75 Pt2 1.946(9) . ?
C76 C79 1.507(15) . ?
C76 C77 1.516(16) . ?
C76 C78 1.568(15) . ?
C77 H77A 0.9600 . ?
C77 H77B 0.9600 . ?
C77 H77C 0.9600 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 N4 1.327(12) . ?
C80 C81 1.387(12) . ?
C81 C82 1.378(15) . ?
C81 H81 0.9300 . ?
C82 C83 1.422(17) . ?
C82 H82 0.9300 . ?
C83 C84 1.336(13) . ?
C83 H83 0.9300 . ?
C84 N4 1.319(11) . ?
C84 C86 1.556(15) . ?
N4 Pt2 1.961(7) . ?
C86 O4 1.240(12) . ?
C86 O3 1.285(11) . ?
N1 Pt1 2.014(7) . ?
N2 Pt2 2.025(7) . ?
O1 Pt1 2.174(7) . ?
O3 Pt2 2.167(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 C1 H1A 109.5 . . ?
C3 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C3 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C2 C3 C4 105.8(11) . . ?
C2 C3 C1 109.3(9) . . ?
C4 C3 C1 107.6(10) . . ?
C2 C3 C5 110.1(8) . . ?
C4 C3 C5 113.6(8) . . ?
C1 C3 C5 110.3(9) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 115.8(8) . . ?
C6 C5 C3 124.4(8) . . ?
C10 C5 C3 119.7(8) . . ?
C7 C6 C5 124.7(9) . . ?
C7 C6 H6 117.6 . . ?
C5 C6 H6 117.6 . . ?
C6 C7 C8 118.3(8) . . ?
C6 C7 H7 120.8 . . ?
C8 C7 H7 120.8 . . ?
C9 C8 C7 118.6(7) . . ?
C9 C8 C11 109.8(7) . . ?
C7 C8 C11 131.6(8) . . ?
C8 C9 C10 122.3(8) . . ?
C8 C9 C21 110.5(7) . . ?
C10 C9 C21 127.1(7) . . ?
C9 C10 C5 120.2(8) . . ?
C9 C10 H10 119.9 . . ?
C5 C10 H10 119.9 . . ?
C16 C11 C12 122.2(8) . . ?
C16 C11 C8 108.0(7) . . ?
C12 C11 C8 129.9(8) . . ?
C11 C12 C13 114.2(9) . . ?
C11 C12 H12 122.9 . . ?
C13 C12 H12 122.9 . . ?
C14 C13 C12 126.1(9) . . ?
C14 C13 H13 117.0 . . ?
C12 C13 H13 117.0 . . ?
C15 C14 C13 118.3(9) . . ?
C15 C14 C17 123.4(9) . . ?
C13 C14 C17 118.3(8) . . ?
C14 C15 C16 117.6(9) . . ?
C14 C15 H15 121.2 . . ?
C16 C15 H15 121.2 . . ?
C11 C16 C15 121.3(8) . . ?
C11 C16 C21 113.1(7) . . ?
C15 C16 C21 125.5(8) . . ?
C20 C17 C19 108.2(9) . . ?
C20 C17 C14 110.9(9) . . ?
C19 C17 C14 108.9(9) . . ?
C20 C17 C18 103.9(7) . . ?
C19 C17 C18 104.4(8) . . ?
C14 C17 C18 119.8(9) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C9 111.3(7) . . ?
C22 C21 C16 105.6(7) . . ?
C9 C21 C16 98.5(6) . . ?
C22 C21 C27 116.4(7) . . ?
C9 C21 C27 111.2(7) . . ?
C16 C21 C27 112.3(7) . . ?
N1 C22 C23 119.4(8) . . ?
N1 C22 C21 123.0(8) . . ?
C23 C22 C21 117.2(8) . . ?
C22 C23 C24 119.3(10) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C25 C24 C23 121.0(11) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 C26 115.7(10) . . ?
C24 C25 H25 122.2 . . ?
C26 C25 H25 122.2 . . ?
N1 C26 C25 125.4(9) . . ?
N1 C26 H26 117.3 . . ?
C25 C26 H26 117.3 . . ?
C28 C27 C32 121.0(8) . . ?
C28 C27 C21 118.6(8) . . ?
C32 C27 C21 120.1(7) . . ?
C27 C28 C29 121.0(8) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C30 C29 C28 118.6(8) . . ?
C30 C29 C33 122.0(8) . . ?
C28 C29 C33 119.3(8) . . ?
C29 C30 C31 121.3(9) . . ?
C29 C30 H30 119.3 . . ?
C31 C30 H30 119.3 . . ?
C30 C31 C37 126.7(8) . . ?
C30 C31 C32 120.6(8) . . ?
C37 C31 C32 112.7(7) . . ?
C27 C32 C31 117.0(8) . . ?
C27 C32 Pt1 128.7(7) . . ?
C31 C32 Pt1 114.3(6) . . ?
C35 C33 C34 117.4(10) . . ?
C35 C33 C36 105.3(10) . . ?
C34 C33 C36 104.8(10) . . ?
C35 C33 C29 112.3(8) . . ?
C34 C33 C29 107.4(8) . . ?
C36 C33 C29 109.1(9) . . ?
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 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N3 C37 C38 118.2(8) . . ?
N3 C37 C31 112.3(7) . . ?
C38 C37 C31 129.1(9) . . ?
C37 C38 C39 115.5(10) . . ?
C37 C38 H38 122.3 . . ?
C39 C38 H38 122.3 . . ?
C40 C39 C38 117.5(10) . . ?
C40 C39 H39 121.2 . . ?
C38 C39 H39 121.2 . . ?
C41 C40 C39 127.8(11) . . ?
C41 C40 H40 116.1 . . ?
C39 C40 H40 116.1 . . ?
C40 C41 N3 116.7(9) . . ?
C40 C41 C43 129.1(9) . . ?
N3 C41 C43 113.3(8) . . ?
C37 N3 C41 122.3(8) . . ?
C37 N3 Pt1 118.6(6) . . ?
C41 N3 Pt1 119.1(7) . . ?
O2 C43 O1 126.1(11) . . ?
O2 C43 C41 119.6(10) . . ?
O1 C43 C41 114.3(8) . . ?
C45 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C45 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C47 C45 C46 118.8(12) . . ?
C47 C45 C44 102.2(12) . . ?
C46 C45 C44 101.1(10) . . ?
C47 C45 C48 110.2(9) . . ?
C46 C45 C48 110.8(10) . . ?
C44 C45 C48 113.3(10) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 C53 118.8(7) . . ?
C49 C48 C45 121.9(9) . . ?
C53 C48 C45 118.9(9) . . ?
C50 C49 C48 121.9(8) . . ?
C50 C49 H49 119.1 . . ?
C48 C49 H49 119.1 . . ?
C49 C50 C51 121.8(9) . . ?
C49 C50 H50 119.1 . . ?
C51 C50 H50 119.1 . . ?
C50 C51 C52 115.8(7) . . ?
C50 C51 C54 134.3(8) . . ?
C52 C51 C54 109.9(7) . . ?
C53 C52 C51 121.1(7) . . ?
C53 C52 C60 130.7(8) . . ?
C51 C52 C60 108.2(6) . . ?
C52 C53 C48 120.7(8) . . ?
C52 C53 H53 119.7 . . ?
C48 C53 H53 119.7 . . ?
C55 C54 C59 118.6(8) . . ?
C55 C54 C51 133.0(8) . . ?
C59 C54 C51 108.4(7) . . ?
C56 C55 C54 120.5(9) . . ?
C56 C55 H55 119.7 . . ?
C54 C55 H55 119.7 . . ?
C55 C56 C57 122.3(9) . . ?
C55 C56 H56 118.9 . . ?
C57 C56 H56 118.9 . . ?
C58 C57 C56 117.0(8) . . ?
C58 C57 C61 124.2(8) . . ?
C56 C57 C61 118.9(8) . . ?
C59 C58 C57 121.2(8) . . ?
C59 C58 H58 119.4 . . ?
C57 C58 H58 119.4 . . ?
C58 C59 C54 120.4(7) . . ?
C58 C59 C60 127.7(8) . . ?
C54 C59 C60 111.8(7) . . ?
C59 C60 C70 110.0(7) . . ?
C59 C60 C65 111.6(7) . . ?
C70 C60 C65 117.9(7) . . ?
C59 C60 C52 101.7(7) . . ?
C70 C60 C52 111.3(6) . . ?
C65 C60 C52 102.8(6) . . ?
C62 C61 C57 115.5(9) . . ?
C62 C61 C64 109.1(10) . . ?
C57 C61 C64 113.2(8) . . ?
C62 C61 C63 109.1(11) . . ?
C57 C61 C63 108.3(9) . . ?
C64 C61 C63 100.5(10) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N2 C65 C66 119.5(8) . . ?
N2 C65 C60 122.1(7) . . ?
C66 C65 C60 118.2(8) . . ?
C65 C66 C67 119.4(9) . . ?
C65 C66 H66 120.3 . . ?
C67 C66 H66 120.3 . . ?
C66 C67 C68 118.3(9) . . ?
C66 C67 H67 120.8 . . ?
C68 C67 H67 120.8 . . ?
C69 C68 C67 118.6(10) . . ?
C69 C68 H68 120.7 . . ?
C67 C68 H68 120.7 . . ?
C68 C69 N2 123.1(10) . . ?
C68 C69 H69 118.4 . . ?
N2 C69 H69 118.4 . . ?
C71 C70 C75 117.5(8) . . ?
C71 C70 C60 121.5(7) . . ?
C75 C70 C60 121.0(8) . . ?
C70 C71 C72 125.0(8) . . ?
C70 C71 H71 117.5 . . ?
C72 C71 H71 117.5 . . ?
C73 C72 C71 116.4(8) . . ?
C73 C72 C76 120.7(8) . . ?
C71 C72 C76 122.9(8) . . ?
C72 C73 C74 120.3(8) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 H73 119.9 . . ?
C73 C74 C75 121.3(8) . . ?
C73 C74 C80 125.1(8) . . ?
C75 C74 C80 113.5(8) . . ?
C70 C75 C74 119.2(8) . . ?
C70 C75 Pt2 127.7(7) . . ?
C74 C75 Pt2 113.1(7) . . ?
C79 C76 C77 105.8(10) . . ?
C79 C76 C72 114.2(9) . . ?
C77 C76 C72 112.8(9) . . ?
C79 C76 C78 109.1(10) . . ?
C77 C76 C78 109.0(10) . . ?
C72 C76 C78 105.9(8) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C76 C79 H79A 109.5 . . ?
C76 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C76 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
N4 C80 C81 119.2(8) . . ?
N4 C80 C74 112.8(8) . . ?
C81 C80 C74 127.8(9) . . ?
C80 C81 C82 117.2(10) . . ?
C80 C81 H81 121.4 . . ?
C82 C81 H81 121.4 . . ?
C81 C82 C83 122.6(11) . . ?
C81 C82 H82 118.7 . . ?
C83 C82 H82 118.7 . . ?
C84 C83 C82 114.5(10) . . ?
C84 C83 H83 122.8 . . ?
C82 C83 H83 122.8 . . ?
N4 C84 C83 123.7(11) . . ?
N4 C84 C86 111.5(8) . . ?
C83 C84 C86 124.5(9) . . ?
C80 N4 C84 122.7(8) . . ?
C80 N4 Pt2 116.7(6) . . ?
C84 N4 Pt2 120.5(7) . . ?
O4 C86 O3 124.2(10) . . ?
O4 C86 C84 118.8(9) . . ?
O3 C86 C84 116.8(8) . . ?
C26 N1 C22 119.1(8) . . ?
C26 N1 Pt1 115.5(6) . . ?
C22 N1 Pt1 125.2(6) . . ?
C69 N2 C65 120.8(8) . . ?
C69 N2 Pt2 112.9(7) . . ?
C65 N2 Pt2 126.0(6) . . ?
C43 O1 Pt1 113.1(6) . . ?
C86 O3 Pt2 111.8(6) . . ?
C32 Pt1 N3 81.8(3) . . ?
C32 Pt1 N1 93.7(3) . . ?
N3 Pt1 N1 171.6(3) . . ?
C32 Pt1 O1 161.7(3) . . ?
N3 Pt1 O1 80.0(3) . . ?
N1 Pt1 O1 104.6(3) . . ?
C75 Pt2 N4 83.3(4) . . ?
C75 Pt2 N2 93.4(4) . . ?
N4 Pt2 N2 172.8(3) . . ?
C75 Pt2 O3 162.1(3) . . ?
N4 Pt2 O3 78.9(3) . . ?
N2 Pt2 O3 104.5(3) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.119
_refine_diff_density_min         -0.812
_refine_diff_density_rms         0.124
