# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_sg01
_database_code_depnum_ccdc_archive 'CCDC 2087934'
loop_
_audit_author_name
_audit_author_address
'Marilyn Olmstead'
;University of California, Davis
United States of America
;
_audit_update_record             
;
2021-06-03 deposited with the CCDC.	2021-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C116 H44 N2 O2 P2 Pt, C6 H14, C6 H12'
_chemical_formula_sum            'C128 H70 N2 O2 P2 Pt'
_chemical_formula_weight         1924.89

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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.8879(4)
_cell_length_b                   16.0972(4)
_cell_length_c                   19.9238(6)
_cell_angle_alpha                79.1823(16)
_cell_angle_beta                 80.6461(16)
_cell_angle_gamma                65.3053(14)
_cell_volume                     4242.1(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9857
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      26.0

_exptl_crystal_description       plate
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_F_000             1952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.756
_shelx_estimated_absorpt_T_min   0.526
_shelx_estimated_absorpt_T_max   0.779
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_process_details   'SADABS (Sheldrick,2016/2)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'ApexII CCD'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 8.3
_diffrn_reflns_number            68790
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.045
_diffrn_reflns_theta_max         26.041
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             16695
_reflns_number_gt                13971
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 (Bruker, 2019)'
_computing_cell_refinement       'SAINT (Bruker, 2019)'
_computing_data_reduction        'SAINT (Bruker, 2019)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+63.5654P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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_number_reflns         16695
_refine_ls_number_parameters     1184
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0733
_refine_ls_wR_factor_ref         0.1827
_refine_ls_wR_factor_gt          0.1720
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_restrained_S_all      1.166
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.34865(2) 0.38335(2) 0.23344(2) 0.02919(10) Uani 1 1 d . . . . .
P1 P 0.46869(14) 0.38958(14) 0.29449(11) 0.0272(4) Uani 1 1 d . . . . .
P2 P 0.28341(15) 0.53642(14) 0.18026(12) 0.0290(4) Uani 1 1 d . . . . .
O1 O 0.2734(4) 0.3532(4) 0.3844(3) 0.0308(12) Uani 1 1 d . . . . .
O2 O 0.0907(4) 0.4233(4) 0.2975(3) 0.0329(13) Uani 1 1 d . . . . .
N1 N 0.1068(4) 0.3164(4) 0.4284(3) 0.0253(14) Uani 1 1 d . . . . .
N2 N 0.3297(5) 0.1478(5) 0.5062(4) 0.0317(15) Uani 1 1 d . . . . .
C1 C 0.0257(5) 0.2495(5) 0.2956(4) 0.0253(16) Uani 1 1 d . . . . .
C2 C 0.1268(6) 0.1500(5) 0.3834(4) 0.0269(16) Uani 1 1 d . . . . .
C3 C 0.2080(5) 0.1556(5) 0.4028(4) 0.0259(16) Uani 1 1 d . . . . .
C4 C 0.2802(5) 0.2765(5) 0.3811(4) 0.0256(16) Uani 1 1 d . . . . .
C5 C 0.3557(5) 0.2134(5) 0.3344(4) 0.0262(16) Uani 1 1 d . . . . .
C6 C 0.3878(5) 0.2466(5) 0.2703(4) 0.0276(17) Uani 1 1 d . . . . .
C7 C 0.2675(6) 0.3491(5) 0.1787(4) 0.0290(17) Uani 1 1 d . . . . .
C8 C 0.1677(6) 0.3685(5) 0.1867(4) 0.0270(16) Uani 1 1 d . . . . .
C9 C 0.0986(5) 0.3808(5) 0.2524(4) 0.0272(17) Uani 1 1 d . . . . .
C10 C 0.0417(5) 0.3186(5) 0.2486(4) 0.0276(17) Uani 1 1 d . . . . .
C11 C 0.0463(5) 0.3158(5) 0.1772(4) 0.0294(17) Uani 1 1 d . . . . .
C12 C 0.0235(5) 0.2541(5) 0.1510(4) 0.0271(16) Uani 1 1 d . . . . .
C13 C 0.0132(5) 0.1794(5) 0.1988(4) 0.0262(16) Uani 1 1 d . . . . .
C14 C 0.0249(5) 0.1706(5) 0.2681(4) 0.0257(16) Uani 1 1 d . . . . .
C15 C 0.0765(5) 0.0772(6) 0.3036(4) 0.0282(17) Uani 1 1 d . . . . .
C16 C 0.1355(5) 0.0687(5) 0.3580(4) 0.0260(16) Uani 1 1 d . . . . .
C17 C 0.2237(6) -0.0100(5) 0.3679(4) 0.0281(17) Uani 1 1 d . . . . .
C18 C 0.3107(6) -0.0016(5) 0.3819(4) 0.0281(17) Uani 1 1 d . . . . .
C19 C 0.3050(6) 0.0836(5) 0.3898(4) 0.0269(16) Uani 1 1 d . . . . .
C20 C 0.3801(5) 0.1158(6) 0.3530(4) 0.0273(16) Uani 1 1 d . . . . .
C21 C 0.4586(5) 0.0557(5) 0.3140(4) 0.0275(17) Uani 1 1 d . . . . .
C22 C 0.4903(5) 0.0900(5) 0.2466(4) 0.0271(16) Uani 1 1 d . . . . .
C23 C 0.4412(5) 0.1840(5) 0.2199(4) 0.0276(17) Uani 1 1 d . . . . .
C24 C 0.4211(6) 0.2064(5) 0.1476(4) 0.0269(16) Uani 1 1 d . . . . .
C25 C 0.3279(5) 0.2846(5) 0.1286(4) 0.0266(16) Uani 1 1 d . . . . .
C26 C 0.2808(6) 0.2772(6) 0.0754(4) 0.0292(17) Uani 1 1 d . . . . .
C27 C 0.1735(5) 0.3105(6) 0.0808(4) 0.0291(17) Uani 1 1 d . . . . .
C28 C 0.1226(6) 0.3450(5) 0.1400(4) 0.0273(16) Uani 1 1 d . . . . .
C29 C 0.1467(6) 0.2483(5) 0.0516(4) 0.0290(17) Uani 1 1 d . . . . .
C30 C 0.0715(6) 0.2213(6) 0.0861(4) 0.0304(17) Uani 1 1 d . . . . .
C31 C 0.0853(6) 0.1267(6) 0.0920(4) 0.0307(18) Uani 1 1 d . . . . .
C32 C 0.0475(6) 0.1017(5) 0.1612(4) 0.0289(17) Uani 1 1 d . . . . .
C33 C 0.0923(6) 0.0143(5) 0.1952(4) 0.0293(17) Uani 1 1 d . . . . .
C34 C 0.1061(6) 0.0017(6) 0.2672(4) 0.0307(18) Uani 1 1 d . . . . .
C35 C 0.1973(6) -0.0794(5) 0.2783(4) 0.0300(17) Uani 1 1 d . . . . .
C36 C 0.2552(6) -0.0849(6) 0.3285(5) 0.0343(19) Uani 1 1 d . . . . .
C37 C 0.3628(6) -0.1206(5) 0.3142(4) 0.0294(17) Uani 1 1 d . . . . .
C38 C 0.3960(6) -0.0670(5) 0.3463(4) 0.0284(17) Uani 1 1 d . . . . .
C39 C 0.4687(5) -0.0371(5) 0.3125(4) 0.0290(17) Uani 1 1 d . . . . .
C40 C 0.5138(6) -0.0633(5) 0.2457(5) 0.0316(18) Uani 1 1 d . . . . .
C41 C 0.5258(5) 0.0164(5) 0.2050(4) 0.0277(17) Uani 1 1 d . . . . .
C42 C 0.5126(6) 0.0378(6) 0.1360(4) 0.0311(18) Uani 1 1 d . . . . .
C43 C 0.4599(6) 0.1327(5) 0.1073(4) 0.0286(17) Uani 1 1 d . . . . .
C44 C 0.4085(6) 0.1301(6) 0.0524(4) 0.0311(18) Uani 1 1 d . . . . .
C45 C 0.3189(6) 0.2005(6) 0.0371(4) 0.0312(18) Uani 1 1 d . . . . .
C46 C 0.2376(6) 0.1817(6) 0.0229(4) 0.0314(18) Uani 1 1 d . . . . .
C47 C 0.2489(6) 0.0910(6) 0.0257(4) 0.0312(18) Uani 1 1 d . . . . .
C48 C 0.1712(6) 0.0620(6) 0.0614(4) 0.0322(18) Uani 1 1 d . . . . .
C49 C 0.2176(6) -0.0305(6) 0.0964(5) 0.0329(18) Uani 1 1 d . . . . .
C50 C 0.1788(6) -0.0544(5) 0.1619(5) 0.0308(18) Uani 1 1 d . . . . .
C51 C 0.2428(6) -0.1122(5) 0.2138(5) 0.0325(18) Uani 1 1 d . . . . .
C52 C 0.3464(6) -0.1443(6) 0.1994(5) 0.0337(19) Uani 1 1 d . . . . .
C53 C 0.4076(6) -0.1481(5) 0.2506(5) 0.0305(18) Uani 1 1 d . . . . .
C54 C 0.4843(6) -0.1180(5) 0.2152(5) 0.0322(18) Uani 1 1 d . . . . .
C55 C 0.4724(6) -0.0977(6) 0.1428(5) 0.0319(18) Uani 1 1 d . . . . .
C56 C 0.4872(6) -0.0223(6) 0.1039(4) 0.0321(18) Uani 1 1 d . . . . .
C57 C 0.4220(6) 0.0351(6) 0.0523(4) 0.0319(18) Uani 1 1 d . . . . .
C58 C 0.3437(6) 0.0162(6) 0.0398(4) 0.0311(18) Uani 1 1 d . . . . .
C59 C 0.3252(6) -0.0601(6) 0.0822(4) 0.0319(18) Uani 1 1 d . . . . .
C60 C 0.3868(6) -0.1161(6) 0.1325(5) 0.0338(19) Uani 1 1 d . . . . .
C61 C 0.0306(5) 0.2352(5) 0.3741(4) 0.0270(16) Uani 1 1 d . . . . .
C62 C 0.0328(6) 0.3162(5) 0.4036(4) 0.0265(16) Uani 1 1 d . . . . .
C63 C 0.2038(6) 0.2395(5) 0.4268(4) 0.0276(17) Uani 1 1 d . . . . .
C64 C -0.0545(5) 0.2115(5) 0.4166(4) 0.0270(17) Uani 1 1 d . . . . .
C65 C -0.0477(6) 0.1848(6) 0.4860(4) 0.0312(18) Uani 1 1 d . . . . .
H65 H 0.008108 0.181019 0.505637 0.037 Uiso 1 1 calc R U . . .
C66 C -0.1221(6) 0.1631(7) 0.5282(5) 0.039(2) Uani 1 1 d . . . . .
H66 H -0.115743 0.142351 0.575754 0.047 Uiso 1 1 calc R U . . .
C67 C -0.2046(6) 0.1723(6) 0.4997(5) 0.036(2) Uani 1 1 d . . . . .
H67 H -0.256330 0.159315 0.527982 0.043 Uiso 1 1 calc R U . . .
C68 C -0.2127(6) 0.1999(6) 0.4309(5) 0.036(2) Uani 1 1 d . . . . .
H68 H -0.270002 0.205866 0.411947 0.044 Uiso 1 1 calc R U . . .
C69 C -0.1384(6) 0.2192(6) 0.3884(5) 0.0313(18) Uani 1 1 d . . . . .
H69A H -0.144288 0.237567 0.340573 0.038 Uiso 1 1 calc R U . . .
C70 C -0.0626(6) 0.3995(5) 0.4130(4) 0.0280(17) Uani 1 1 d . . . . .
C71 C -0.0736(6) 0.4509(6) 0.4649(5) 0.0344(19) Uani 1 1 d . . . . .
H71 H -0.020782 0.433068 0.492808 0.041 Uiso 1 1 calc R U . . .
C72 C -0.1604(6) 0.5280(6) 0.4769(5) 0.0359(19) Uani 1 1 d . . . . .
H72 H -0.166712 0.562381 0.512560 0.043 Uiso 1 1 calc R U . . .
C73 C -0.2372(6) 0.5542(6) 0.4364(5) 0.041(2) Uani 1 1 d . . . . .
H73 H -0.296881 0.606491 0.444311 0.049 Uiso 1 1 calc R U . . .
C74 C -0.2272(6) 0.5039(6) 0.3842(5) 0.040(2) Uani 1 1 d . . . . .
H74 H -0.280031 0.522438 0.356251 0.047 Uiso 1 1 calc R U . . .
C75 C -0.1405(6) 0.4266(6) 0.3724(5) 0.0342(19) Uani 1 1 d . . . . .
H75 H -0.134522 0.392461 0.336637 0.041 Uiso 1 1 calc R U . . .
C76 C 0.2358(6) 0.2119(5) 0.5002(4) 0.0271(16) Uani 1 1 d . . . . .
C77 C 0.1722(6) 0.2485(6) 0.5564(5) 0.038(2) Uani 1 1 d . . . . .
H77 H 0.107120 0.294222 0.550432 0.046 Uiso 1 1 calc R U . . .
C78 C 0.2050(7) 0.2175(7) 0.6207(5) 0.046(2) Uani 1 1 d . . . . .
H78 H 0.162639 0.241279 0.659825 0.055 Uiso 1 1 calc R U . . .
C79 C 0.3011(7) 0.1508(7) 0.6281(5) 0.041(2) Uani 1 1 d . . . . .
H79 H 0.325562 0.127873 0.671933 0.050 Uiso 1 1 calc R U . . .
C80 C 0.3594(6) 0.1193(6) 0.5693(5) 0.0346(19) Uani 1 1 d . . . . .
H80 H 0.424999 0.074185 0.574127 0.042 Uiso 1 1 calc R U . . .
C81 C 0.5157(6) 0.2906(6) 0.3614(4) 0.0297(17) Uani 1 1 d . . . . .
C82 C 0.5741(6) 0.2036(6) 0.3403(5) 0.0323(18) Uani 1 1 d . . . . .
H82 H 0.592453 0.198400 0.292846 0.039 Uiso 1 1 calc R U . . .
C83 C 0.6048(6) 0.1258(6) 0.3882(5) 0.036(2) Uani 1 1 d . . . . .
H83 H 0.644108 0.067372 0.373383 0.043 Uiso 1 1 calc R U . . .
C84 C 0.5790(7) 0.1320(7) 0.4578(5) 0.040(2) Uani 1 1 d . . . . .
H84 H 0.598911 0.077974 0.490412 0.048 Uiso 1 1 calc R U . . .
C85 C 0.5244(7) 0.2172(7) 0.4791(5) 0.043(2) Uani 1 1 d . . . . .
H85 H 0.508616 0.221967 0.526708 0.051 Uiso 1 1 calc R U . . .
C86 C 0.4920(6) 0.2966(6) 0.4312(5) 0.0328(18) Uani 1 1 d . . . . .
H86 H 0.453532 0.354936 0.446450 0.039 Uiso 1 1 calc R U . . .
C87 C 0.5816(5) 0.3781(5) 0.2376(5) 0.0298(18) Uani 1 1 d . . . . .
C88 C 0.5799(6) 0.3885(6) 0.1675(4) 0.0323(18) Uani 1 1 d . . . . .
H88 H 0.519723 0.401212 0.149155 0.039 Uiso 1 1 calc R U . . .
C89 C 0.6646(6) 0.3809(6) 0.1230(5) 0.037(2) Uani 1 1 d . . . . .
H89A H 0.661782 0.389703 0.074775 0.044 Uiso 1 1 calc R U . . .
C90 C 0.7529(6) 0.3604(6) 0.1496(5) 0.038(2) Uani 1 1 d . . . . .
H90 H 0.811196 0.354343 0.119528 0.046 Uiso 1 1 calc R U . . .
C91 C 0.7563(6) 0.3488(6) 0.2195(5) 0.0332(19) Uani 1 1 d . . . . .
H91 H 0.817054 0.335012 0.237429 0.040 Uiso 1 1 calc R U . . .
C92 C 0.6718(6) 0.3569(6) 0.2641(5) 0.0322(18) Uani 1 1 d . . . . .
H92 H 0.674910 0.348267 0.312249 0.039 Uiso 1 1 calc R U . . .
C93 C 0.4419(6) 0.4879(6) 0.3390(5) 0.0342(19) Uani 1 1 d . . . . .
C94 C 0.5046(7) 0.5332(6) 0.3341(5) 0.042(2) Uani 1 1 d . . . . .
H94 H 0.565326 0.513604 0.305508 0.050 Uiso 1 1 calc R U . . .
C95 C 0.4803(7) 0.6063(7) 0.3700(6) 0.051(3) Uani 1 1 d . . . . .
H95 H 0.524274 0.636382 0.366125 0.061 Uiso 1 1 calc R U . . .
C96 C 0.3917(7) 0.6361(7) 0.4118(6) 0.055(3) Uani 1 1 d . . . . .
H96 H 0.374471 0.687189 0.435836 0.065 Uiso 1 1 calc R U . . .
C97 C 0.3286(7) 0.5915(7) 0.4185(6) 0.048(2) Uani 1 1 d . . . . .
H97 H 0.269086 0.610897 0.448303 0.058 Uiso 1 1 calc R U . . .
C98 C 0.3511(6) 0.5184(6) 0.3822(5) 0.037(2) Uani 1 1 d . . . . .
H98 H 0.306441 0.489041 0.386064 0.045 Uiso 1 1 calc R U . . .
C99 C 0.1970(6) 0.6179(6) 0.2377(5) 0.0317(18) Uani 1 1 d . . . . .
C100 C 0.1567(6) 0.5822(6) 0.2980(5) 0.036(2) Uani 1 1 d . . . . .
H100 H 0.177676 0.517317 0.309980 0.044 Uiso 1 1 calc R U . . .
C101 C 0.0857(7) 0.6417(7) 0.3407(5) 0.043(2) Uani 1 1 d . . . . .
H101 H 0.059085 0.617395 0.382421 0.051 Uiso 1 1 calc R U . . .
C102 C 0.0534(7) 0.7362(6) 0.3227(5) 0.042(2) Uani 1 1 d . . . . .
H102 H 0.004046 0.776699 0.351745 0.050 Uiso 1 1 calc R U . . .
C103 C 0.0934(6) 0.7718(6) 0.2620(5) 0.038(2) Uani 1 1 d . . . . .
H103 H 0.071328 0.836647 0.249543 0.045 Uiso 1 1 calc R U . . .
C104 C 0.1656(6) 0.7124(6) 0.2196(5) 0.037(2) Uani 1 1 d . . . . .
H10E H 0.193237 0.736587 0.178292 0.045 Uiso 1 1 calc R U . . .
C105 C 0.2087(6) 0.5518(5) 0.1108(5) 0.0319(18) Uani 1 1 d . . . . .
C106 C 0.1077(6) 0.6102(6) 0.1120(5) 0.040(2) Uani 1 1 d . . . . .
H106 H 0.076677 0.646387 0.148431 0.048 Uiso 1 1 calc R U . . .
C107 C 0.0527(7) 0.6154(7) 0.0599(5) 0.044(2) Uani 1 1 d . . . . .
H107 H -0.015812 0.655120 0.061212 0.053 Uiso 1 1 calc R U . . .
C108 C 0.0963(7) 0.5637(7) 0.0062(5) 0.043(2) Uani 1 1 d . . . . .
H10H H 0.058138 0.567908 -0.029101 0.051 Uiso 1 1 calc R U . . .
C109 C 0.1964(7) 0.5056(6) 0.0045(5) 0.040(2) Uani 1 1 d . . . . .
H109 H 0.227372 0.470421 -0.032420 0.047 Uiso 1 1 calc R U . . .
C110 C 0.2512(6) 0.4990(6) 0.0568(5) 0.0350(19) Uani 1 1 d . . . . .
H110 H 0.319122 0.457649 0.055850 0.042 Uiso 1 1 calc R U . . .
C111 C 0.3714(6) 0.5887(6) 0.1393(5) 0.0329(18) Uani 1 1 d . . . . .
C112 C 0.4133(6) 0.6205(6) 0.1813(5) 0.0346(19) Uani 1 1 d . . . . .
H112 H 0.391244 0.620751 0.228809 0.041 Uiso 1 1 calc R U . . .
C113 C 0.4880(6) 0.6520(6) 0.1536(5) 0.040(2) Uani 1 1 d . . . . .
H113 H 0.518563 0.670897 0.182648 0.048 Uiso 1 1 calc R U . . .
C114 C 0.5171(7) 0.6556(6) 0.0840(5) 0.043(2) Uani 1 1 d . . . . .
H114 H 0.566831 0.678040 0.064899 0.052 Uiso 1 1 calc R U . . .
C115 C 0.4735(7) 0.6264(7) 0.0426(5) 0.045(2) Uani 1 1 d . . . . .
H115 H 0.493132 0.629560 -0.005327 0.055 Uiso 1 1 calc R U . . .
C116 C 0.4016(6) 0.5925(6) 0.0695(5) 0.039(2) Uani 1 1 d . . . . .
H116 H 0.373047 0.571876 0.040175 0.046 Uiso 1 1 calc R U . . .
C11A C 0.179(3) -0.070(2) -0.2562(16) 0.096(10) Uiso 0.5 1 d D . P A 1
H11E H 0.227071 -0.062911 -0.294048 0.144 Uiso 0.5 1 calc R U P A 1
H11F H 0.156865 -0.116675 -0.263701 0.144 Uiso 0.5 1 calc R U P A 1
H11G H 0.121161 -0.010687 -0.254135 0.144 Uiso 0.5 1 calc R U P A 1
C11C C 0.228(3) -0.100(3) -0.1865(17) 0.099(12) Uiso 0.5 1 d D . P A 1
H11A H 0.287827 -0.157050 -0.193778 0.119 Uiso 0.5 1 calc R U P A 1
H11B H 0.252605 -0.052489 -0.184342 0.119 Uiso 0.5 1 calc R U P A 1
C11B C 0.194(2) -0.0384(19) -0.2339(13) 0.074(7) Uiso 0.5 1 d D . P A 2
H11H H 0.239948 -0.021898 -0.269694 0.110 Uiso 0.5 1 calc R U P A 2
H11I H 0.169009 -0.076744 -0.251267 0.110 Uiso 0.5 1 calc R U P A 2
H11J H 0.138903 0.017803 -0.221198 0.110 Uiso 0.5 1 calc R U P A 2
C11D C 0.251(2) -0.0933(19) -0.1698(13) 0.060(6) Uiso 0.5 1 d D . P A 2
H11C H 0.307562 -0.149527 -0.182873 0.072 Uiso 0.5 1 calc R U P A 2
H11D H 0.277426 -0.054887 -0.152775 0.072 Uiso 0.5 1 calc R U P A 2
C119 C 0.1852(11) -0.1194(12) -0.1149(9) 0.094(5) Uani 1 1 d . . . . .
H11L H 0.156722 -0.164602 -0.116448 0.113 Uiso 1 1 calc R U . A 1
H11M H 0.128356 -0.061435 -0.105126 0.113 Uiso 1 1 calc R U . A 1
C120 C 0.2439(13) -0.1548(11) -0.0505(7) 0.087(4) Uani 1 1 d . . . . .
H12B H 0.253557 -0.103352 -0.036785 0.105 Uiso 1 1 calc R U . . .
H12C H 0.310186 -0.203096 -0.061714 0.105 Uiso 1 1 calc R U . . .
C121 C 0.1872(14) -0.1955(12) 0.0105(10) 0.112(6) Uani 1 1 d . . . . .
H12D H 0.185187 -0.250999 -0.002623 0.134 Uiso 1 1 calc R U . . .
H12E H 0.226922 -0.216208 0.050324 0.134 Uiso 1 1 calc R U . . .
C122 C 0.0849(14) -0.1352(13) 0.0334(10) 0.115(6) Uani 1 1 d . . . . .
H12F H 0.060742 -0.166918 0.074533 0.173 Uiso 1 1 calc R U . . .
H12G H 0.041764 -0.120765 -0.003127 0.173 Uiso 1 1 calc R U . . .
H12H H 0.084141 -0.077959 0.044169 0.173 Uiso 1 1 calc R U . . .
C123 C 0.201(2) 0.1850(16) -0.1712(13) 0.172(10) Uiso 1 1 d D . . . .
H12A H 0.176161 0.165161 -0.205103 0.259 Uiso 1 1 calc R U . . .
H12I H 0.262747 0.134969 -0.156045 0.259 Uiso 1 1 calc R U . . .
H12J H 0.151491 0.200306 -0.131617 0.259 Uiso 1 1 calc R U . . .
C124 C 0.2225(13) 0.2725(10) -0.2045(9) 0.102(5) Uiso 1 1 d D . . . .
H12K H 0.273845 0.256141 -0.244407 0.122 Uiso 1 1 calc R U . . .
C125 C 0.2606(12) 0.3031(10) -0.1532(8) 0.099(5) Uiso 1 1 d D . . . .
H12L H 0.222826 0.299492 -0.107755 0.119 Uiso 1 1 calc R U . . .
H12M H 0.331564 0.263018 -0.148511 0.119 Uiso 1 1 calc R U . . .
C126 C 0.2482(10) 0.4000(9) -0.1781(8) 0.084(4) Uiso 1 1 d D . . . .
H12N H 0.264504 0.426070 -0.142765 0.100 Uiso 1 1 calc R U . . .
H12O H 0.292856 0.402626 -0.220355 0.100 Uiso 1 1 calc R U . . .
C127 C 0.1444(11) 0.4523(10) -0.1922(9) 0.106(5) Uiso 1 1 d D . . . .
H12P H 0.134217 0.508645 -0.225611 0.128 Uiso 1 1 calc R U . . .
H12Q H 0.098640 0.467641 -0.150034 0.128 Uiso 1 1 calc R U . . .
C128 C 0.1391(15) 0.3704(12) -0.2245(12) 0.150 Uiso 1 1 d D U . . .
H12R H 0.073568 0.367635 -0.209311 0.180 Uiso 1 1 calc R U . . .
H12S H 0.143752 0.385239 -0.275086 0.180 Uiso 1 1 calc R 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
Pt1 C7 2.041(8) . ?
Pt1 C6 2.045(7) . ?
Pt1 P2 2.344(2) . ?
Pt1 P1 2.363(2) . ?
P1 C93 1.827(9) . ?
P1 C87 1.829(8) . ?
P1 C81 1.838(9) . ?
P2 C105 1.831(9) . ?
P2 C99 1.833(8) . ?
P2 C111 1.846(9) . ?
O1 C4 1.210(9) . ?
O2 C9 1.192(10) . ?
N1 C62 1.280(10) . ?
N1 C63 1.457(9) . ?
N2 C80 1.335(11) . ?
N2 C76 1.354(10) . ?
C1 C10 1.389(11) . ?
C1 C14 1.480(11) . ?
C1 C61 1.547(11) . ?
C2 C3 1.369(11) . ?
C2 C16 1.439(11) . ?
C2 C61 1.523(10) . ?
C3 C19 1.444(10) . ?
C3 C63 1.491(11) . ?
C4 C5 1.491(11) . ?
C4 C63 1.582(10) . ?
C5 C6 1.379(11) . ?
C5 C20 1.444(11) . ?
C6 C23 1.453(11) . ?
C7 C8 1.373(11) . ?
C7 C25 1.482(11) . ?
C8 C28 1.416(11) . ?
C8 C9 1.517(11) . ?
C9 C10 1.575(10) . ?
C10 C11 1.420(12) . ?
C11 C12 1.382(11) . ?
C11 C28 1.450(11) . ?
C12 C13 1.433(11) . ?
C12 C30 1.450(11) . ?
C13 C14 1.393(11) . ?
C13 C32 1.442(11) . ?
C14 C15 1.471(11) . ?
C15 C34 1.406(11) . ?
C15 C16 1.455(11) . ?
C16 C17 1.403(11) . ?
C17 C36 1.432(12) . ?
C17 C18 1.433(11) . ?
C18 C19 1.376(11) . ?
C18 C38 1.447(11) . ?
C19 C20 1.461(10) . ?
C20 C21 1.396(11) . ?
C21 C22 1.437(11) . ?
C21 C39 1.444(11) . ?
C22 C23 1.417(11) . ?
C22 C41 1.438(11) . ?
C23 C24 1.466(12) . ?
C24 C43 1.420(11) . ?
C24 C25 1.478(10) . ?
C25 C26 1.410(11) . ?
C26 C45 1.434(11) . ?
C26 C27 1.448(10) . ?
C27 C28 1.371(11) . ?
C27 C29 1.459(11) . ?
C29 C30 1.400(11) . ?
C29 C46 1.441(11) . ?
C30 C31 1.433(11) . ?
C31 C48 1.400(11) . ?
C31 C32 1.453(12) . ?
C32 C33 1.374(11) . ?
C33 C34 1.446(12) . ?
C33 C50 1.459(11) . ?
C34 C35 1.452(11) . ?
C35 C36 1.391(12) . ?
C35 C51 1.437(12) . ?
C36 C37 1.456(11) . ?
C37 C53 1.390(12) . ?
C37 C38 1.438(11) . ?
C38 C39 1.389(11) . ?
C39 C40 1.443(12) . ?
C40 C54 1.396(12) . ?
C40 C41 1.446(11) . ?
C41 C42 1.379(12) . ?
C42 C43 1.447(11) . ?
C42 C56 1.451(12) . ?
C43 C44 1.449(12) . ?
C44 C45 1.377(12) . ?
C44 C57 1.457(12) . ?
C45 C46 1.444(12) . ?
C46 C47 1.389(12) . ?
C47 C58 1.450(12) . ?
C47 C48 1.457(11) . ?
C48 C49 1.445(12) . ?
C49 C50 1.393(12) . ?
C49 C59 1.463(11) . ?
C50 C51 1.435(12) . ?
C51 C52 1.406(12) . ?
C52 C60 1.443(12) . ?
C52 C53 1.451(12) . ?
C53 C54 1.453(11) . ?
C54 C55 1.441(12) . ?
C55 C56 1.391(12) . ?
C55 C60 1.475(11) . ?
C56 C57 1.440(12) . ?
C57 C58 1.390(11) . ?
C58 C59 1.453(12) . ?
C59 C60 1.388(12) . ?
C61 C62 1.542(11) . ?
C61 C64 1.549(10) . ?
C62 C70 1.505(10) . ?
C63 C76 1.538(11) . ?
C64 C65 1.375(12) . ?
C64 C69 1.402(11) . ?
C65 C66 1.402(11) . ?
C65 H65 0.9500 . ?
C66 C67 1.377(12) . ?
C66 H66 0.9500 . ?
C67 C68 1.368(13) . ?
C67 H67 0.9500 . ?
C68 C69 1.386(11) . ?
C68 H68 0.9500 . ?
C69 H69A 0.9500 . ?
C70 C71 1.392(12) . ?
C70 C75 1.392(11) . ?
C71 C72 1.392(11) . ?
C71 H71 0.9500 . ?
C72 C73 1.380(13) . ?
C72 H72 0.9500 . ?
C73 C74 1.386(13) . ?
C73 H73 0.9500 . ?
C74 C75 1.393(12) . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
C76 C77 1.391(12) . ?
C77 C78 1.375(13) . ?
C77 H77 0.9500 . ?
C78 C79 1.395(13) . ?
C78 H78 0.9500 . ?
C79 C80 1.380(13) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C86 1.390(12) . ?
C81 C82 1.406(12) . ?
C82 C83 1.379(12) . ?
C82 H82 0.9500 . ?
C83 C84 1.388(13) . ?
C83 H83 0.9500 . ?
C84 C85 1.376(14) . ?
C84 H84 0.9500 . ?
C85 C86 1.398(13) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C88 1.378(12) . ?
C87 C92 1.406(11) . ?
C88 C89 1.393(11) . ?
C88 H88 0.9500 . ?
C89 C90 1.384(12) . ?
C89 H89A 0.9500 . ?
C90 C91 1.377(13) . ?
C90 H90 0.9500 . ?
C91 C92 1.390(11) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93 C94 1.388(12) . ?
C93 C98 1.426(12) . ?
C94 C95 1.380(13) . ?
C94 H94 0.9500 . ?
C95 C96 1.389(14) . ?
C95 H95 0.9500 . ?
C96 C97 1.379(13) . ?
C96 H96 0.9500 . ?
C97 C98 1.390(13) . ?
C97 H97 0.9500 . ?
C98 H98 0.9500 . ?
C99 C104 1.385(12) . ?
C99 C100 1.388(12) . ?
C100 C101 1.388(12) . ?
C100 H100 0.9500 . ?
C101 C102 1.384(13) . ?
C101 H101 0.9500 . ?
C102 C103 1.391(13) . ?
C102 H102 0.9500 . ?
C103 C104 1.390(12) . ?
C103 H103 0.9500 . ?
C104 H10E 0.9500 . ?
C105 C110 1.398(12) . ?
C105 C106 1.400(12) . ?
C106 C107 1.395(13) . ?
C106 H106 0.9500 . ?
C107 C108 1.384(14) . ?
C107 H107 0.9500 . ?
C108 C109 1.389(13) . ?
C108 H10H 0.9500 . ?
C109 C110 1.386(12) . ?
C109 H109 0.9500 . ?
C110 H110 0.9500 . ?
C111 C116 1.389(13) . ?
C111 C112 1.396(12) . ?
C112 C113 1.401(12) . ?
C112 H112 0.9500 . ?
C113 C114 1.381(14) . ?
C113 H113 0.9500 . ?
C114 C115 1.378(14) . ?
C114 H114 0.9500 . ?
C115 C116 1.387(12) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C11A C11C 1.575(19) . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C11A H11G 0.9800 . ?
C11C C119 1.50(4) . ?
C11C H11A 0.9900 . ?
C11C H11B 0.9900 . ?
C11B C11D 1.556(18) . ?
C11B H11H 0.9800 . ?
C11B H11I 0.9800 . ?
C11B H11J 0.9800 . ?
C11D C119 1.47(3) . ?
C11D H11C 0.9900 . ?
C11D H11D 0.9900 . ?
C119 C120 1.55(2) . ?
C119 H11L 0.9900 . ?
C119 H11M 0.9900 . ?
C120 C121 1.56(2) . ?
C120 H12B 0.9900 . ?
C120 H12C 0.9900 . ?
C121 C122 1.47(2) . ?
C121 H12D 0.9900 . ?
C121 H12E 0.9900 . ?
C122 H12F 0.9800 . ?
C122 H12G 0.9800 . ?
C122 H12H 0.9800 . ?
C123 C124 1.575(17) . ?
C123 H12A 0.9800 . ?
C123 H12I 0.9800 . ?
C123 H12J 0.9800 . ?
C124 C125 1.490(15) . ?
C124 C128 1.572(16) . ?
C124 H12K 1.0000 . ?
C125 C126 1.489(14) . ?
C125 H12L 0.9900 . ?
C125 H12M 0.9900 . ?
C126 C127 1.464(14) . ?
C126 H12N 0.9900 . ?
C126 H12O 0.9900 . ?
C127 C128 1.607(16) . ?
C127 H12P 0.9900 . ?
C127 H12Q 0.9900 . ?
C128 H12R 0.9900 . ?
C128 H12S 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 Pt1 C6 78.8(3) . . ?
C7 Pt1 P2 90.8(2) . . ?
C6 Pt1 P2 169.5(2) . . ?
C7 Pt1 P1 167.3(2) . . ?
C6 Pt1 P1 90.8(2) . . ?
P2 Pt1 P1 99.73(7) . . ?
C93 P1 C87 105.3(4) . . ?
C93 P1 C81 102.8(4) . . ?
C87 P1 C81 101.8(4) . . ?
C93 P1 Pt1 121.4(3) . . ?
C87 P1 Pt1 110.0(3) . . ?
C81 P1 Pt1 113.6(3) . . ?
C105 P2 C99 103.4(4) . . ?
C105 P2 C111 103.3(4) . . ?
C99 P2 C111 104.6(4) . . ?
C105 P2 Pt1 112.3(3) . . ?
C99 P2 Pt1 113.6(3) . . ?
C111 P2 Pt1 118.0(3) . . ?
C62 N1 C63 122.4(7) . . ?
C80 N2 C76 117.2(7) . . ?
C10 C1 C14 117.3(7) . . ?
C10 C1 C61 126.5(7) . . ?
C14 C1 C61 114.8(7) . . ?
C3 C2 C16 120.7(7) . . ?
C3 C2 C61 120.9(7) . . ?
C16 C2 C61 117.1(7) . . ?
C2 C3 C19 119.1(7) . . ?
C2 C3 C63 122.8(7) . . ?
C19 C3 C63 117.4(6) . . ?
O1 C4 C5 124.0(7) . . ?
O1 C4 C63 119.6(7) . . ?
C5 C4 C63 116.4(6) . . ?
C6 C5 C20 120.4(7) . . ?
C6 C5 C4 121.5(7) . . ?
C20 C5 C4 117.2(7) . . ?
C5 C6 C23 119.8(7) . . ?
C5 C6 Pt1 124.8(5) . . ?
C23 C6 Pt1 114.7(6) . . ?
C8 C7 C25 115.7(7) . . ?
C8 C7 Pt1 129.6(6) . . ?
C25 C7 Pt1 114.3(6) . . ?
C7 C8 C28 121.7(7) . . ?
C7 C8 C9 128.0(7) . . ?
C28 C8 C9 106.4(6) . . ?
O2 C9 C8 129.8(7) . . ?
O2 C9 C10 127.7(7) . . ?
C8 C9 C10 102.5(6) . . ?
C1 C10 C11 119.5(7) . . ?
C1 C10 C9 131.6(7) . . ?
C11 C10 C9 104.1(7) . . ?
C12 C11 C10 123.6(7) . . ?
C12 C11 C28 118.8(7) . . ?
C10 C11 C28 110.2(7) . . ?
C11 C12 C13 116.5(7) . . ?
C11 C12 C30 121.2(7) . . ?
C13 C12 C30 109.5(7) . . ?
C14 C13 C12 121.3(7) . . ?
C14 C13 C32 123.2(7) . . ?
C12 C13 C32 106.2(7) . . ?
C13 C14 C15 117.7(7) . . ?
C13 C14 C1 119.1(7) . . ?
C15 C14 C1 118.2(7) . . ?
C34 C15 C16 117.9(7) . . ?
C34 C15 C14 118.5(7) . . ?
C16 C15 C14 116.8(7) . . ?
C17 C16 C2 116.8(7) . . ?
C17 C16 C15 119.2(7) . . ?
C2 C16 C15 120.0(7) . . ?
C16 C17 C36 122.2(7) . . ?
C16 C17 C18 120.2(7) . . ?
C36 C17 C18 107.8(7) . . ?
C19 C18 C17 119.2(7) . . ?
C19 C18 C38 122.5(7) . . ?
C17 C18 C38 108.0(7) . . ?
C18 C19 C3 118.4(7) . . ?
C18 C19 C20 119.5(7) . . ?
C3 C19 C20 115.0(7) . . ?
C21 C20 C5 117.4(7) . . ?
C21 C20 C19 117.8(7) . . ?
C5 C20 C19 120.2(7) . . ?
C20 C21 C22 119.5(7) . . ?
C20 C21 C39 121.5(7) . . ?
C22 C21 C39 107.8(7) . . ?
C23 C22 C21 119.9(7) . . ?
C23 C22 C41 122.8(7) . . ?
C21 C22 C41 107.8(7) . . ?
C22 C23 C6 115.8(7) . . ?
C22 C23 C24 118.3(7) . . ?
C6 C23 C24 123.0(7) . . ?
C43 C24 C23 117.5(7) . . ?
C43 C24 C25 117.2(7) . . ?
C23 C24 C25 118.2(7) . . ?
C26 C25 C24 117.6(7) . . ?
C26 C25 C7 118.5(7) . . ?
C24 C25 C7 120.0(7) . . ?
C25 C26 C45 124.4(7) . . ?
C25 C26 C27 119.9(7) . . ?
C45 C26 C27 106.6(7) . . ?
C28 C27 C26 117.2(7) . . ?
C28 C27 C29 120.1(7) . . ?
C26 C27 C29 108.9(7) . . ?
C27 C28 C8 121.9(7) . . ?
C27 C28 C11 121.0(7) . . ?
C8 C28 C11 109.5(7) . . ?
C30 C29 C46 120.5(7) . . ?
C30 C29 C27 119.4(7) . . ?
C46 C29 C27 106.9(7) . . ?
C29 C30 C31 119.3(7) . . ?
C29 C30 C12 119.2(7) . . ?
C31 C30 C12 107.6(7) . . ?
C48 C31 C30 120.9(8) . . ?
C48 C31 C32 119.1(7) . . ?
C30 C31 C32 107.1(7) . . ?
C33 C32 C13 118.8(8) . . ?
C33 C32 C31 120.6(7) . . ?
C13 C32 C31 109.4(7) . . ?
C32 C33 C34 119.9(7) . . ?
C32 C33 C50 120.0(8) . . ?
C34 C33 C50 108.3(7) . . ?
C15 C34 C33 121.6(8) . . ?
C15 C34 C35 121.9(7) . . ?
C33 C34 C35 106.6(7) . . ?
C36 C35 C51 120.7(7) . . ?
C36 C35 C34 119.3(8) . . ?
C51 C35 C34 109.3(7) . . ?
C35 C36 C17 119.2(8) . . ?
C35 C36 C37 119.5(8) . . ?
C17 C36 C37 108.8(7) . . ?
C53 C37 C38 120.1(7) . . ?
C53 C37 C36 120.5(8) . . ?
C38 C37 C36 106.6(7) . . ?
C39 C38 C37 120.5(8) . . ?
C39 C38 C18 117.6(7) . . ?
C37 C38 C18 108.5(7) . . ?
C38 C39 C40 119.6(7) . . ?
C38 C39 C21 120.4(7) . . ?
C40 C39 C21 108.6(7) . . ?
C54 C40 C39 120.2(7) . . ?
C54 C40 C41 119.3(8) . . ?
C39 C40 C41 106.8(7) . . ?
C42 C41 C22 119.0(7) . . ?
C42 C41 C40 121.6(7) . . ?
C22 C41 C40 108.8(7) . . ?
C41 C42 C43 119.8(7) . . ?
C41 C42 C56 118.7(7) . . ?
C43 C42 C56 109.5(7) . . ?
C24 C43 C42 122.4(8) . . ?
C24 C43 C44 122.4(7) . . ?
C42 C43 C44 106.3(7) . . ?
C45 C44 C43 120.4(7) . . ?
C45 C44 C57 119.1(8) . . ?
C43 C44 C57 108.7(7) . . ?
C44 C45 C26 117.9(8) . . ?
C44 C45 C46 121.2(8) . . ?
C26 C45 C46 109.4(7) . . ?
C47 C46 C29 120.0(7) . . ?
C47 C46 C45 119.8(7) . . ?
C29 C46 C45 108.0(7) . . ?
C46 C47 C58 119.6(7) . . ?
C46 C47 C48 119.9(7) . . ?
C58 C47 C48 107.6(7) . . ?
C31 C48 C49 120.5(8) . . ?
C31 C48 C47 119.2(8) . . ?
C49 C48 C47 108.4(7) . . ?
C50 C49 C48 119.7(7) . . ?
C50 C49 C59 118.9(8) . . ?
C48 C49 C59 108.0(7) . . ?
C49 C50 C51 121.0(8) . . ?
C49 C50 C33 119.9(8) . . ?
C51 C50 C33 107.9(7) . . ?
C52 C51 C50 120.1(8) . . ?
C52 C51 C35 119.6(8) . . ?
C50 C51 C35 107.8(7) . . ?
C51 C52 C60 118.9(8) . . ?
C51 C52 C53 120.1(8) . . ?
C60 C52 C53 108.9(7) . . ?
C37 C53 C52 119.4(7) . . ?
C37 C53 C54 119.6(7) . . ?
C52 C53 C54 107.4(8) . . ?
C40 C54 C55 119.6(8) . . ?
C40 C54 C53 119.8(8) . . ?
C55 C54 C53 108.7(7) . . ?
C56 C55 C54 120.3(8) . . ?
C56 C55 C60 119.3(8) . . ?
C54 C55 C60 107.6(7) . . ?
C55 C56 C57 120.4(8) . . ?
C55 C56 C42 120.4(8) . . ?
C57 C56 C42 107.2(7) . . ?
C58 C57 C56 120.9(8) . . ?
C58 C57 C44 120.1(7) . . ?
C56 C57 C44 108.0(7) . . ?
C57 C58 C47 120.1(7) . . ?
C57 C58 C59 118.9(8) . . ?
C47 C58 C59 108.5(7) . . ?
C60 C59 C58 121.1(8) . . ?
C60 C59 C49 119.7(8) . . ?
C58 C59 C49 107.5(7) . . ?
C59 C60 C52 121.1(8) . . ?
C59 C60 C55 119.2(8) . . ?
C52 C60 C55 107.3(7) . . ?
C2 C61 C62 110.9(6) . . ?
C2 C61 C1 101.9(6) . . ?
C62 C61 C1 115.6(6) . . ?
C2 C61 C64 107.5(6) . . ?
C62 C61 C64 106.8(6) . . ?
C1 C61 C64 113.9(6) . . ?
N1 C62 C70 114.9(7) . . ?
N1 C62 C61 126.0(7) . . ?
C70 C62 C61 118.7(6) . . ?
N1 C63 C3 115.6(6) . . ?
N1 C63 C76 107.7(6) . . ?
C3 C63 C76 107.8(6) . . ?
N1 C63 C4 107.5(6) . . ?
C3 C63 C4 111.0(6) . . ?
C76 C63 C4 106.9(6) . . ?
C65 C64 C69 119.2(7) . . ?
C65 C64 C61 117.4(7) . . ?
C69 C64 C61 123.4(7) . . ?
C64 C65 C66 120.9(7) . . ?
C64 C65 H65 119.5 . . ?
C66 C65 H65 119.5 . . ?
C67 C66 C65 119.0(8) . . ?
C67 C66 H66 120.5 . . ?
C65 C66 H66 120.5 . . ?
C68 C67 C66 120.5(8) . . ?
C68 C67 H67 119.8 . . ?
C66 C67 H67 119.8 . . ?
C67 C68 C69 121.0(8) . . ?
C67 C68 H68 119.5 . . ?
C69 C68 H68 119.5 . . ?
C68 C69 C64 119.4(8) . . ?
C68 C69 H69A 120.3 . . ?
C64 C69 H69A 120.3 . . ?
C71 C70 C75 118.7(7) . . ?
C71 C70 C62 118.4(7) . . ?
C75 C70 C62 122.8(7) . . ?
C72 C71 C70 121.3(8) . . ?
C72 C71 H71 119.3 . . ?
C70 C71 H71 119.3 . . ?
C73 C72 C71 119.4(8) . . ?
C73 C72 H72 120.3 . . ?
C71 C72 H72 120.3 . . ?
C72 C73 C74 119.9(8) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C74 C75 120.7(8) . . ?
C73 C74 H74 119.6 . . ?
C75 C74 H74 119.6 . . ?
C70 C75 C74 119.9(8) . . ?
C70 C75 H75 120.1 . . ?
C74 C75 H75 120.1 . . ?
N2 C76 C77 122.5(8) . . ?
N2 C76 C63 115.1(7) . . ?
C77 C76 C63 122.4(7) . . ?
C78 C77 C76 118.9(8) . . ?
C78 C77 H77 120.6 . . ?
C76 C77 H77 120.6 . . ?
C77 C78 C79 119.5(9) . . ?
C77 C78 H78 120.3 . . ?
C79 C78 H78 120.3 . . ?
C80 C79 C78 117.6(8) . . ?
C80 C79 H79 121.2 . . ?
C78 C79 H79 121.2 . . ?
N2 C80 C79 124.4(8) . . ?
N2 C80 H80 117.8 . . ?
C79 C80 H80 117.8 . . ?
C86 C81 C82 118.7(8) . . ?
C86 C81 P1 123.4(6) . . ?
C82 C81 P1 117.9(7) . . ?
C83 C82 C81 120.3(8) . . ?
C83 C82 H82 119.8 . . ?
C81 C82 H82 119.8 . . ?
C82 C83 C84 120.7(8) . . ?
C82 C83 H83 119.6 . . ?
C84 C83 H83 119.6 . . ?
C85 C84 C83 119.4(9) . . ?
C85 C84 H84 120.3 . . ?
C83 C84 H84 120.3 . . ?
C84 C85 C86 120.6(9) . . ?
C84 C85 H85 119.7 . . ?
C86 C85 H85 119.7 . . ?
C81 C86 C85 120.2(8) . . ?
C81 C86 H86 119.9 . . ?
C85 C86 H86 119.9 . . ?
C88 C87 C92 118.7(7) . . ?
C88 C87 P1 120.1(6) . . ?
C92 C87 P1 121.1(7) . . ?
C87 C88 C89 121.3(8) . . ?
C87 C88 H88 119.4 . . ?
C89 C88 H88 119.4 . . ?
C90 C89 C88 119.6(9) . . ?
C90 C89 H89A 120.2 . . ?
C88 C89 H89A 120.2 . . ?
C91 C90 C89 120.0(8) . . ?
C91 C90 H90 120.0 . . ?
C89 C90 H90 120.0 . . ?
C90 C91 C92 120.6(8) . . ?
C90 C91 H91 119.7 . . ?
C92 C91 H91 119.7 . . ?
C91 C92 C87 119.8(8) . . ?
C91 C92 H92 120.1 . . ?
C87 C92 H92 120.1 . . ?
C94 C93 C98 118.7(8) . . ?
C94 C93 P1 124.2(7) . . ?
C98 C93 P1 117.2(6) . . ?
C95 C94 C93 121.1(9) . . ?
C95 C94 H94 119.5 . . ?
C93 C94 H94 119.5 . . ?
C94 C95 C96 120.2(9) . . ?
C94 C95 H95 119.9 . . ?
C96 C95 H95 119.9 . . ?
C97 C96 C95 120.0(9) . . ?
C97 C96 H96 120.0 . . ?
C95 C96 H96 120.0 . . ?
C96 C97 C98 120.8(9) . . ?
C96 C97 H97 119.6 . . ?
C98 C97 H97 119.6 . . ?
C97 C98 C93 119.3(8) . . ?
C97 C98 H98 120.4 . . ?
C93 C98 H98 120.4 . . ?
C104 C99 C100 120.3(8) . . ?
C104 C99 P2 121.8(7) . . ?
C100 C99 P2 117.7(6) . . ?
C101 C100 C99 119.7(8) . . ?
C101 C100 H100 120.2 . . ?
C99 C100 H100 120.2 . . ?
C102 C101 C100 120.4(9) . . ?
C102 C101 H101 119.8 . . ?
C100 C101 H101 119.8 . . ?
C101 C102 C103 119.8(9) . . ?
C101 C102 H102 120.1 . . ?
C103 C102 H102 120.1 . . ?
C104 C103 C102 120.0(8) . . ?
C104 C103 H103 120.0 . . ?
C102 C103 H103 120.0 . . ?
C99 C104 C103 119.8(9) . . ?
C99 C104 H10E 120.1 . . ?
C103 C104 H10E 120.1 . . ?
C110 C105 C106 118.1(8) . . ?
C110 C105 P2 119.5(6) . . ?
C106 C105 P2 122.3(7) . . ?
C107 C106 C105 120.0(9) . . ?
C107 C106 H106 120.0 . . ?
C105 C106 H106 120.0 . . ?
C108 C107 C106 121.1(9) . . ?
C108 C107 H107 119.5 . . ?
C106 C107 H107 119.5 . . ?
C107 C108 C109 119.3(9) . . ?
C107 C108 H10H 120.3 . . ?
C109 C108 H10H 120.3 . . ?
C110 C109 C108 119.9(9) . . ?
C110 C109 H109 120.0 . . ?
C108 C109 H109 120.0 . . ?
C109 C110 C105 121.5(8) . . ?
C109 C110 H110 119.2 . . ?
C105 C110 H110 119.2 . . ?
C116 C111 C112 119.2(8) . . ?
C116 C111 P2 122.6(7) . . ?
C112 C111 P2 118.1(7) . . ?
C111 C112 C113 120.1(9) . . ?
C111 C112 H112 119.9 . . ?
C113 C112 H112 119.9 . . ?
C114 C113 C112 120.1(9) . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C115 C114 C113 119.4(8) . . ?
C115 C114 H114 120.3 . . ?
C113 C114 H114 120.3 . . ?
C114 C115 C116 121.3(10) . . ?
C114 C115 H115 119.4 . . ?
C116 C115 H115 119.4 . . ?
C115 C116 C111 119.9(9) . . ?
C115 C116 H116 120.1 . . ?
C111 C116 H116 120.1 . . ?
C11C C11A H11E 109.5 . . ?
C11C C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
C11C C11A H11G 109.5 . . ?
H11E C11A H11G 109.5 . . ?
H11F C11A H11G 109.5 . . ?
C119 C11C C11A 130(3) . . ?
C119 C11C H11A 104.8 . . ?
C11A C11C H11A 104.8 . . ?
C119 C11C H11B 104.8 . . ?
C11A C11C H11B 104.8 . . ?
H11A C11C H11B 105.8 . . ?
C11D C11B H11H 109.5 . . ?
C11D C11B H11I 109.5 . . ?
H11H C11B H11I 109.5 . . ?
C11D C11B H11J 109.5 . . ?
H11H C11B H11J 109.5 . . ?
H11I C11B H11J 109.5 . . ?
C119 C11D C11B 111(2) . . ?
C119 C11D H11C 109.4 . . ?
C11B C11D H11C 109.4 . . ?
C119 C11D H11D 109.4 . . ?
C11B C11D H11D 109.4 . . ?
H11C C11D H11D 108.0 . . ?
C11D C119 C120 105.3(15) . . ?
C11C C119 C120 125.0(19) . . ?
C11C C119 H11L 106.1 . . ?
C120 C119 H11L 106.1 . . ?
C11C C119 H11M 106.1 . . ?
C120 C119 H11M 106.1 . . ?
H11L C119 H11M 106.3 . . ?
C119 C120 C121 110.9(15) . . ?
C119 C120 H12B 109.5 . . ?
C121 C120 H12B 109.5 . . ?
C119 C120 H12C 109.5 . . ?
C121 C120 H12C 109.5 . . ?
H12B C120 H12C 108.1 . . ?
C122 C121 C120 118.0(16) . . ?
C122 C121 H12D 107.8 . . ?
C120 C121 H12D 107.8 . . ?
C122 C121 H12E 107.8 . . ?
C120 C121 H12E 107.8 . . ?
H12D C121 H12E 107.1 . . ?
C121 C122 H12F 109.5 . . ?
C121 C122 H12G 109.5 . . ?
H12F C122 H12G 109.5 . . ?
C121 C122 H12H 109.5 . . ?
H12F C122 H12H 109.5 . . ?
H12G C122 H12H 109.5 . . ?
C124 C123 H12A 109.5 . . ?
C124 C123 H12I 109.5 . . ?
H12A C123 H12I 109.5 . . ?
C124 C123 H12J 109.5 . . ?
H12A C123 H12J 109.5 . . ?
H12I C123 H12J 109.5 . . ?
C125 C124 C128 94.8(11) . . ?
C125 C124 C123 109.8(15) . . ?
C128 C124 C123 123.9(17) . . ?
C125 C124 H12K 109.0 . . ?
C128 C124 H12K 109.0 . . ?
C123 C124 H12K 109.0 . . ?
C126 C125 C124 107.4(12) . . ?
C126 C125 H12L 110.2 . . ?
C124 C125 H12L 110.2 . . ?
C126 C125 H12M 110.2 . . ?
C124 C125 H12M 110.2 . . ?
H12L C125 H12M 108.5 . . ?
C127 C126 C125 107.0(12) . . ?
C127 C126 H12N 110.3 . . ?
C125 C126 H12N 110.3 . . ?
C127 C126 H12O 110.3 . . ?
C125 C126 H12O 110.3 . . ?
H12N C126 H12O 108.6 . . ?
C126 C127 C128 93.6(11) . . ?
C126 C127 H12P 113.0 . . ?
C128 C127 H12P 113.0 . . ?
C126 C127 H12Q 113.0 . . ?
C128 C127 H12Q 113.0 . . ?
H12P C127 H12Q 110.4 . . ?
C124 C128 C127 114.5(12) . . ?
C124 C128 H12R 108.6 . . ?
C127 C128 H12R 108.6 . . ?
C124 C128 H12S 108.6 . . ?
C127 C128 H12S 108.6 . . ?
H12R C128 H12S 107.6 . . ?

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
C16 C2 C3 C19 7.3(12) . . . . ?
C61 C2 C3 C19 -159.9(7) . . . . ?
C16 C2 C3 C63 177.5(7) . . . . ?
C61 C2 C3 C63 10.2(12) . . . . ?
O1 C4 C5 C6 -34.2(12) . . . . ?
C63 C4 C5 C6 144.1(7) . . . . ?
O1 C4 C5 C20 157.1(7) . . . . ?
C63 C4 C5 C20 -24.6(10) . . . . ?
C20 C5 C6 C23 3.8(11) . . . . ?
C4 C5 C6 C23 -164.6(7) . . . . ?
C20 C5 C6 Pt1 174.1(5) . . . . ?
C4 C5 C6 Pt1 5.7(11) . . . . ?
C25 C7 C8 C28 -13.2(11) . . . . ?
Pt1 C7 C8 C28 175.0(6) . . . . ?
C25 C7 C8 C9 141.5(8) . . . . ?
Pt1 C7 C8 C9 -30.3(12) . . . . ?
C7 C8 C9 O2 45.0(13) . . . . ?
C28 C8 C9 O2 -157.2(8) . . . . ?
C7 C8 C9 C10 -132.2(8) . . . . ?
C28 C8 C9 C10 25.5(8) . . . . ?
C14 C1 C10 C11 6.4(10) . . . . ?
C61 C1 C10 C11 172.5(7) . . . . ?
C14 C1 C10 C9 -144.6(8) . . . . ?
C61 C1 C10 C9 21.4(12) . . . . ?
O2 C9 C10 C1 -48.7(13) . . . . ?
C8 C9 C10 C1 128.6(8) . . . . ?
O2 C9 C10 C11 157.1(8) . . . . ?
C8 C9 C10 C11 -25.6(7) . . . . ?
C1 C10 C11 C12 8.3(11) . . . . ?
C9 C10 C11 C12 166.3(7) . . . . ?
C1 C10 C11 C28 -141.1(7) . . . . ?
C9 C10 C11 C28 16.9(8) . . . . ?
C10 C11 C12 C13 -11.9(11) . . . . ?
C28 C11 C12 C13 135.1(8) . . . . ?
C10 C11 C12 C30 -149.5(8) . . . . ?
C28 C11 C12 C30 -2.5(11) . . . . ?
C11 C12 C13 C14 0.5(11) . . . . ?
C30 C12 C13 C14 142.7(7) . . . . ?
C11 C12 C13 C32 -147.1(7) . . . . ?
C30 C12 C13 C32 -4.8(8) . . . . ?
C12 C13 C14 C15 -141.0(7) . . . . ?
C32 C13 C14 C15 1.1(11) . . . . ?
C12 C13 C14 C1 13.7(10) . . . . ?
C32 C13 C14 C1 155.8(7) . . . . ?
C10 C1 C14 C13 -17.1(10) . . . . ?
C61 C1 C14 C13 175.3(6) . . . . ?
C10 C1 C14 C15 137.5(7) . . . . ?
C61 C1 C14 C15 -30.2(9) . . . . ?
C13 C14 C15 C34 -3.6(10) . . . . ?
C1 C14 C15 C34 -158.5(7) . . . . ?
C13 C14 C15 C16 147.1(7) . . . . ?
C1 C14 C15 C16 -7.8(10) . . . . ?
C3 C2 C16 C17 13.4(11) . . . . ?
C61 C2 C16 C17 -178.9(7) . . . . ?
C3 C2 C16 C15 -143.9(8) . . . . ?
C61 C2 C16 C15 23.8(10) . . . . ?
C34 C15 C16 C17 5.7(11) . . . . ?
C14 C15 C16 C17 -145.1(7) . . . . ?
C34 C15 C16 C2 162.5(7) . . . . ?
C14 C15 C16 C2 11.6(10) . . . . ?
C2 C16 C17 C36 -160.8(7) . . . . ?
C15 C16 C17 C36 -3.3(12) . . . . ?
C2 C16 C17 C18 -19.2(11) . . . . ?
C15 C16 C17 C18 138.3(8) . . . . ?
C16 C17 C18 C19 4.0(12) . . . . ?
C36 C17 C18 C19 150.5(8) . . . . ?
C16 C17 C18 C38 -142.0(8) . . . . ?
C36 C17 C18 C38 4.5(9) . . . . ?
C17 C18 C19 C3 17.1(12) . . . . ?
C38 C18 C19 C3 158.0(8) . . . . ?
C17 C18 C19 C20 -131.9(8) . . . . ?
C38 C18 C19 C20 9.0(12) . . . . ?
C2 C3 C19 C18 -22.9(11) . . . . ?
C63 C3 C19 C18 166.4(7) . . . . ?
C2 C3 C19 C20 127.4(8) . . . . ?
C63 C3 C19 C20 -43.3(10) . . . . ?
C6 C5 C20 C21 18.3(11) . . . . ?
C4 C5 C20 C21 -172.8(7) . . . . ?
C6 C5 C20 C19 -137.2(8) . . . . ?
C4 C5 C20 C19 31.7(10) . . . . ?
C18 C19 C20 C21 -3.6(11) . . . . ?
C3 C19 C20 C21 -153.6(7) . . . . ?
C18 C19 C20 C5 151.9(8) . . . . ?
C3 C19 C20 C5 1.9(11) . . . . ?
C5 C20 C21 C22 -19.7(11) . . . . ?
C19 C20 C21 C22 136.4(8) . . . . ?
C5 C20 C21 C39 -159.2(7) . . . . ?
C19 C20 C21 C39 -3.1(11) . . . . ?
C20 C21 C22 C23 -0.7(11) . . . . ?
C39 C21 C22 C23 143.7(7) . . . . ?
C20 C21 C22 C41 -148.1(7) . . . . ?
C39 C21 C22 C41 -3.7(8) . . . . ?
C21 C22 C23 C6 22.3(10) . . . . ?
C41 C22 C23 C6 164.6(7) . . . . ?
C21 C22 C23 C24 -138.9(7) . . . . ?
C41 C22 C23 C24 3.4(11) . . . . ?
C5 C6 C23 C22 -23.9(11) . . . . ?
Pt1 C6 C23 C22 164.9(5) . . . . ?
C5 C6 C23 C24 136.3(8) . . . . ?
Pt1 C6 C23 C24 -34.9(9) . . . . ?
C22 C23 C24 C43 -5.3(10) . . . . ?
C6 C23 C24 C43 -165.0(7) . . . . ?
C22 C23 C24 C25 144.4(7) . . . . ?
C6 C23 C24 C25 -15.3(10) . . . . ?
C43 C24 C25 C26 4.5(10) . . . . ?
C23 C24 C25 C26 -145.3(7) . . . . ?
C43 C24 C25 C7 161.8(7) . . . . ?
C23 C24 C25 C7 12.0(10) . . . . ?
C8 C7 C25 C26 25.0(11) . . . . ?
Pt1 C7 C25 C26 -162.0(6) . . . . ?
C8 C7 C25 C24 -132.2(8) . . . . ?
Pt1 C7 C25 C24 40.9(9) . . . . ?
C24 C25 C26 C45 -2.1(12) . . . . ?
C7 C25 C26 C45 -159.8(7) . . . . ?
C24 C25 C26 C27 140.2(8) . . . . ?
C7 C25 C26 C27 -17.5(11) . . . . ?
C25 C26 C27 C28 -2.4(11) . . . . ?
C45 C26 C27 C28 145.9(8) . . . . ?
C25 C26 C27 C29 -142.8(8) . . . . ?
C45 C26 C27 C29 5.4(9) . . . . ?
C26 C27 C28 C8 15.0(12) . . . . ?
C29 C27 C28 C8 150.8(7) . . . . ?
C26 C27 C28 C11 -131.5(8) . . . . ?
C29 C27 C28 C11 4.3(12) . . . . ?
C7 C8 C28 C27 -6.8(12) . . . . ?
C9 C8 C28 C27 -166.3(7) . . . . ?
C7 C8 C28 C11 143.0(8) . . . . ?
C9 C8 C28 C11 -16.4(8) . . . . ?
C12 C11 C28 C27 -1.7(12) . . . . ?
C10 C11 C28 C27 149.3(7) . . . . ?
C12 C11 C28 C8 -151.9(7) . . . . ?
C10 C11 C28 C8 -0.9(9) . . . . ?
C28 C27 C29 C30 -2.8(12) . . . . ?
C26 C27 C29 C30 136.3(8) . . . . ?
C28 C27 C29 C46 -144.0(8) . . . . ?
C26 C27 C29 C46 -4.9(9) . . . . ?
C46 C29 C30 C31 -0.8(12) . . . . ?
C27 C29 C30 C31 -136.7(8) . . . . ?
C46 C29 C30 C12 134.6(8) . . . . ?
C27 C29 C30 C12 -1.3(11) . . . . ?
C11 C12 C30 C29 4.0(12) . . . . ?
C13 C12 C30 C29 -136.2(8) . . . . ?
C11 C12 C30 C31 144.0(7) . . . . ?
C13 C12 C30 C31 3.9(9) . . . . ?
C29 C30 C31 C48 -2.4(12) . . . . ?
C12 C30 C31 C48 -142.4(8) . . . . ?
C29 C30 C31 C32 138.7(8) . . . . ?
C12 C30 C31 C32 -1.3(9) . . . . ?
C14 C13 C32 C33 1.4(11) . . . . ?
C12 C13 C32 C33 148.2(7) . . . . ?
C14 C13 C32 C31 -142.7(7) . . . . ?
C12 C13 C32 C31 4.0(8) . . . . ?
C48 C31 C32 C33 -3.2(12) . . . . ?
C30 C31 C32 C33 -145.1(7) . . . . ?
C48 C31 C32 C13 140.2(7) . . . . ?
C30 C31 C32 C13 -1.7(9) . . . . ?
C13 C32 C33 C34 -1.3(11) . . . . ?
C31 C32 C33 C34 138.7(8) . . . . ?
C13 C32 C33 C50 -139.9(8) . . . . ?
C31 C32 C33 C50 0.1(11) . . . . ?
C16 C15 C34 C33 -146.6(7) . . . . ?
C14 C15 C34 C33 3.7(11) . . . . ?
C16 C15 C34 C35 -5.6(11) . . . . ?
C14 C15 C34 C35 144.8(7) . . . . ?
C32 C33 C34 C15 -1.3(11) . . . . ?
C50 C33 C34 C15 141.6(7) . . . . ?
C32 C33 C34 C35 -147.4(7) . . . . ?
C50 C33 C34 C35 -4.5(8) . . . . ?
C15 C34 C35 C36 2.9(12) . . . . ?
C33 C34 C35 C36 148.9(7) . . . . ?
C15 C34 C35 C51 -141.8(8) . . . . ?
C33 C34 C35 C51 4.2(9) . . . . ?
C51 C35 C36 C17 140.4(8) . . . . ?
C34 C35 C36 C17 -0.2(12) . . . . ?
C51 C35 C36 C37 2.6(12) . . . . ?
C34 C35 C36 C37 -138.1(8) . . . . ?
C16 C17 C36 C35 0.5(12) . . . . ?
C18 C17 C36 C35 -145.2(8) . . . . ?
C16 C17 C36 C37 142.4(8) . . . . ?
C18 C17 C36 C37 -3.3(9) . . . . ?
C35 C36 C37 C53 0.9(12) . . . . ?
C17 C36 C37 C53 -140.9(8) . . . . ?
C35 C36 C37 C38 142.6(8) . . . . ?
C17 C36 C37 C38 0.8(9) . . . . ?
C53 C37 C38 C39 4.1(12) . . . . ?
C36 C37 C38 C39 -137.8(8) . . . . ?
C53 C37 C38 C18 143.9(8) . . . . ?
C36 C37 C38 C18 2.0(9) . . . . ?
C19 C18 C38 C39 -7.5(12) . . . . ?
C17 C18 C38 C39 137.1(8) . . . . ?
C19 C18 C38 C37 -148.7(8) . . . . ?
C17 C18 C38 C37 -4.1(9) . . . . ?
C37 C38 C39 C40 -2.4(12) . . . . ?
C18 C38 C39 C40 -138.8(8) . . . . ?
C37 C38 C39 C21 137.0(8) . . . . ?
C18 C38 C39 C21 0.6(12) . . . . ?
C20 C21 C39 C38 4.6(12) . . . . ?
C22 C21 C39 C38 -139.0(8) . . . . ?
C20 C21 C39 C40 147.9(7) . . . . ?
C22 C21 C39 C40 4.4(8) . . . . ?
C38 C39 C40 C54 0.2(12) . . . . ?
C21 C39 C40 C54 -143.5(7) . . . . ?
C38 C39 C40 C41 140.4(7) . . . . ?
C21 C39 C40 C41 -3.3(8) . . . . ?
C23 C22 C41 C42 0.7(11) . . . . ?
C21 C22 C41 C42 146.8(7) . . . . ?
C23 C22 C41 C40 -144.6(7) . . . . ?
C21 C22 C41 C40 1.6(8) . . . . ?
C54 C40 C41 C42 -2.6(11) . . . . ?
C39 C40 C41 C42 -143.1(7) . . . . ?
C54 C40 C41 C22 141.6(7) . . . . ?
C39 C40 C41 C22 1.1(8) . . . . ?
C22 C41 C42 C43 -2.7(11) . . . . ?
C40 C41 C42 C43 138.0(8) . . . . ?
C22 C41 C42 C56 -141.4(7) . . . . ?
C40 C41 C42 C56 -0.7(11) . . . . ?
C23 C24 C43 C42 3.5(11) . . . . ?
C25 C24 C43 C42 -146.5(7) . . . . ?
C23 C24 C43 C44 146.3(7) . . . . ?
C25 C24 C43 C44 -3.7(11) . . . . ?
C41 C42 C43 C24 0.5(11) . . . . ?
C56 C42 C43 C24 142.7(8) . . . . ?
C41 C42 C43 C44 -147.3(7) . . . . ?
C56 C42 C43 C44 -5.2(9) . . . . ?
C24 C43 C44 C45 0.2(12) . . . . ?
C42 C43 C44 C45 148.1(8) . . . . ?
C24 C43 C44 C57 -142.3(8) . . . . ?
C42 C43 C44 C57 5.6(9) . . . . ?
C43 C44 C45 C26 2.4(12) . . . . ?
C57 C44 C45 C26 141.1(8) . . . . ?
C43 C44 C45 C46 -137.1(8) . . . . ?
C57 C44 C45 C46 1.6(12) . . . . ?
C25 C26 C45 C44 -1.4(12) . . . . ?
C27 C26 C45 C44 -147.9(8) . . . . ?
C25 C26 C45 C46 142.5(8) . . . . ?
C27 C26 C45 C46 -3.9(9) . . . . ?
C30 C29 C46 C47 4.0(12) . . . . ?
C27 C29 C46 C47 144.7(8) . . . . ?
C30 C29 C46 C45 -138.3(8) . . . . ?
C27 C29 C46 C45 2.4(9) . . . . ?
C44 C45 C46 C47 1.1(12) . . . . ?
C26 C45 C46 C47 -141.4(8) . . . . ?
C44 C45 C46 C29 143.4(8) . . . . ?
C26 C45 C46 C29 0.9(9) . . . . ?
C29 C46 C47 C58 -140.6(8) . . . . ?
C45 C46 C47 C58 -2.7(12) . . . . ?
C29 C46 C47 C48 -3.9(12) . . . . ?
C45 C46 C47 C48 133.9(8) . . . . ?
C30 C31 C48 C49 140.9(8) . . . . ?
C32 C31 C48 C49 4.3(12) . . . . ?
C30 C31 C48 C47 2.4(12) . . . . ?
C32 C31 C48 C47 -134.2(8) . . . . ?
C46 C47 C48 C31 0.7(12) . . . . ?
C58 C47 C48 C31 142.0(8) . . . . ?
C46 C47 C48 C49 -142.2(8) . . . . ?
C58 C47 C48 C49 -0.9(9) . . . . ?
C31 C48 C49 C50 -2.4(12) . . . . ?
C47 C48 C49 C50 140.0(8) . . . . ?
C31 C48 C49 C59 -142.7(8) . . . . ?
C47 C48 C49 C59 -0.3(9) . . . . ?
C48 C49 C50 C51 -140.3(8) . . . . ?
C59 C49 C50 C51 -4.2(11) . . . . ?
C48 C49 C50 C33 -0.7(12) . . . . ?
C59 C49 C50 C33 135.4(8) . . . . ?
C32 C33 C50 C49 1.8(12) . . . . ?
C34 C33 C50 C49 -141.0(8) . . . . ?
C32 C33 C50 C51 146.1(7) . . . . ?
C34 C33 C50 C51 3.2(9) . . . . ?
C49 C50 C51 C52 1.3(12) . . . . ?
C33 C50 C51 C52 -142.5(8) . . . . ?
C49 C50 C51 C35 143.2(8) . . . . ?
C33 C50 C51 C35 -0.6(9) . . . . ?
C36 C35 C51 C52 -4.3(12) . . . . ?
C34 C35 C51 C52 139.8(8) . . . . ?
C36 C35 C51 C50 -146.4(8) . . . . ?
C34 C35 C51 C50 -2.2(9) . . . . ?
C50 C51 C52 C60 1.6(12) . . . . ?
C35 C51 C52 C60 -135.8(8) . . . . ?
C50 C51 C52 C53 140.1(8) . . . . ?
C35 C51 C52 C53 2.7(12) . . . . ?
C38 C37 C53 C52 -139.1(8) . . . . ?
C36 C37 C53 C52 -2.4(12) . . . . ?
C38 C37 C53 C54 -3.4(12) . . . . ?
C36 C37 C53 C54 133.2(8) . . . . ?
C51 C52 C53 C37 0.7(12) . . . . ?
C60 C52 C53 C37 142.8(8) . . . . ?
C51 C52 C53 C54 -139.8(8) . . . . ?
C60 C52 C53 C54 2.4(9) . . . . ?
C39 C40 C54 C55 139.2(8) . . . . ?
C41 C40 C54 C55 3.9(11) . . . . ?
C39 C40 C54 C53 0.4(12) . . . . ?
C41 C40 C54 C53 -134.9(8) . . . . ?
C37 C53 C54 C40 1.2(12) . . . . ?
C52 C53 C54 C40 141.6(8) . . . . ?
C37 C53 C54 C55 -141.5(8) . . . . ?
C52 C53 C54 C55 -1.2(9) . . . . ?
C40 C54 C55 C56 -2.0(11) . . . . ?
C53 C54 C55 C56 140.9(7) . . . . ?
C40 C54 C55 C60 -143.3(7) . . . . ?
C53 C54 C55 C60 -0.4(9) . . . . ?
C54 C55 C56 C57 -139.3(8) . . . . ?
C60 C55 C56 C57 -2.4(12) . . . . ?
C54 C55 C56 C42 -1.3(11) . . . . ?
C60 C55 C56 C42 135.5(8) . . . . ?
C41 C42 C56 C55 2.7(11) . . . . ?
C43 C42 C56 C55 -139.9(7) . . . . ?
C41 C42 C56 C57 145.5(7) . . . . ?
C43 C42 C56 C57 2.8(9) . . . . ?
C55 C56 C57 C58 -0.6(12) . . . . ?
C42 C56 C57 C58 -143.4(8) . . . . ?
C55 C56 C57 C44 143.5(8) . . . . ?
C42 C56 C57 C44 0.7(9) . . . . ?
C45 C44 C57 C58 -2.7(12) . . . . ?
C43 C44 C57 C58 140.4(8) . . . . ?
C45 C44 C57 C56 -147.0(8) . . . . ?
C43 C44 C57 C56 -3.9(9) . . . . ?
C56 C57 C58 C47 140.8(8) . . . . ?
C44 C57 C58 C47 1.0(12) . . . . ?
C56 C57 C58 C59 3.1(12) . . . . ?
C44 C57 C58 C59 -136.6(8) . . . . ?
C46 C47 C58 C57 1.7(12) . . . . ?
C48 C47 C58 C57 -139.7(8) . . . . ?
C46 C47 C58 C59 143.3(8) . . . . ?
C48 C47 C58 C59 1.9(9) . . . . ?
C57 C58 C59 C60 -2.8(12) . . . . ?
C47 C58 C59 C60 -144.8(8) . . . . ?
C57 C58 C59 C49 140.1(8) . . . . ?
C47 C58 C59 C49 -2.0(9) . . . . ?
C50 C49 C59 C60 4.2(12) . . . . ?
C48 C49 C59 C60 144.9(8) . . . . ?
C50 C49 C59 C58 -139.2(8) . . . . ?
C48 C49 C59 C58 1.4(9) . . . . ?
C58 C59 C60 C52 137.1(8) . . . . ?
C49 C59 C60 C52 -1.3(12) . . . . ?
C58 C59 C60 C55 -0.1(12) . . . . ?
C49 C59 C60 C55 -138.6(8) . . . . ?
C51 C52 C60 C59 -1.6(12) . . . . ?
C53 C52 C60 C59 -144.3(8) . . . . ?
C51 C52 C60 C55 140.0(8) . . . . ?
C53 C52 C60 C55 -2.7(9) . . . . ?
C56 C55 C60 C59 2.7(12) . . . . ?
C54 C55 C60 C59 144.4(8) . . . . ?
C56 C55 C60 C52 -139.8(8) . . . . ?
C54 C55 C60 C52 1.9(9) . . . . ?
C3 C2 C61 C62 -12.0(10) . . . . ?
C16 C2 C61 C62 -179.7(7) . . . . ?
C3 C2 C61 C1 111.6(8) . . . . ?
C16 C2 C61 C1 -56.2(8) . . . . ?
C3 C2 C61 C64 -128.4(8) . . . . ?
C16 C2 C61 C64 63.9(9) . . . . ?
C10 C1 C61 C2 -107.5(8) . . . . ?
C14 C1 C61 C2 58.8(7) . . . . ?
C10 C1 C61 C62 12.9(10) . . . . ?
C14 C1 C61 C62 179.2(6) . . . . ?
C10 C1 C61 C64 137.1(7) . . . . ?
C14 C1 C61 C64 -56.6(8) . . . . ?
C63 N1 C62 C70 177.1(7) . . . . ?
C63 N1 C62 C61 5.0(12) . . . . ?
C2 C61 C62 N1 4.8(11) . . . . ?
C1 C61 C62 N1 -110.6(9) . . . . ?
C64 C61 C62 N1 121.6(8) . . . . ?
C2 C61 C62 C70 -167.1(7) . . . . ?
C1 C61 C62 C70 77.5(9) . . . . ?
C64 C61 C62 C70 -50.3(9) . . . . ?
C62 N1 C63 C3 -7.6(11) . . . . ?
C62 N1 C63 C76 -128.2(8) . . . . ?
C62 N1 C63 C4 116.9(8) . . . . ?
C2 C3 C63 N1 -0.1(11) . . . . ?
C19 C3 C63 N1 170.2(7) . . . . ?
C2 C3 C63 C76 120.4(8) . . . . ?
C19 C3 C63 C76 -69.3(9) . . . . ?
C2 C3 C63 C4 -122.8(8) . . . . ?
C19 C3 C63 C4 47.5(9) . . . . ?
O1 C4 C63 N1 38.3(9) . . . . ?
C5 C4 C63 N1 -140.0(7) . . . . ?
O1 C4 C63 C3 165.6(7) . . . . ?
C5 C4 C63 C3 -12.8(9) . . . . ?
O1 C4 C63 C76 -77.1(9) . . . . ?
C5 C4 C63 C76 104.5(7) . . . . ?
C2 C61 C64 C65 58.8(9) . . . . ?
C62 C61 C64 C65 -60.3(9) . . . . ?
C1 C61 C64 C65 170.9(7) . . . . ?
C2 C61 C64 C69 -123.6(8) . . . . ?
C62 C61 C64 C69 117.3(8) . . . . ?
C1 C61 C64 C69 -11.5(11) . . . . ?
C69 C64 C65 C66 1.7(12) . . . . ?
C61 C64 C65 C66 179.3(8) . . . . ?
C64 C65 C66 C67 -2.5(14) . . . . ?
C65 C66 C67 C68 1.7(14) . . . . ?
C66 C67 C68 C69 0.0(14) . . . . ?
C67 C68 C69 C64 -0.8(13) . . . . ?
C65 C64 C69 C68 0.0(12) . . . . ?
C61 C64 C69 C68 -177.5(8) . . . . ?
N1 C62 C70 C71 -21.7(11) . . . . ?
C61 C62 C70 C71 151.1(8) . . . . ?
N1 C62 C70 C75 158.9(8) . . . . ?
C61 C62 C70 C75 -28.3(11) . . . . ?
C75 C70 C71 C72 0.2(13) . . . . ?
C62 C70 C71 C72 -179.2(8) . . . . ?
C70 C71 C72 C73 0.0(14) . . . . ?
C71 C72 C73 C74 -0.3(14) . . . . ?
C72 C73 C74 C75 0.5(14) . . . . ?
C71 C70 C75 C74 0.0(13) . . . . ?
C62 C70 C75 C74 179.4(8) . . . . ?
C73 C74 C75 C70 -0.4(14) . . . . ?
C80 N2 C76 C77 1.1(12) . . . . ?
C80 N2 C76 C63 -177.6(7) . . . . ?
N1 C63 C76 N2 -172.9(6) . . . . ?
C3 C63 C76 N2 61.8(8) . . . . ?
C4 C63 C76 N2 -57.6(8) . . . . ?
N1 C63 C76 C77 8.4(10) . . . . ?
C3 C63 C76 C77 -116.9(8) . . . . ?
C4 C63 C76 C77 123.7(8) . . . . ?
N2 C76 C77 C78 -1.2(14) . . . . ?
C63 C76 C77 C78 177.4(8) . . . . ?
C76 C77 C78 C79 0.4(15) . . . . ?
C77 C78 C79 C80 0.4(15) . . . . ?
C76 N2 C80 C79 -0.2(13) . . . . ?
C78 C79 C80 N2 -0.5(14) . . . . ?
C93 P1 C81 C86 24.8(7) . . . . ?
C87 P1 C81 C86 133.6(7) . . . . ?
Pt1 P1 C81 C86 -108.2(6) . . . . ?
C93 P1 C81 C82 -158.9(6) . . . . ?
C87 P1 C81 C82 -50.1(7) . . . . ?
Pt1 P1 C81 C82 68.1(6) . . . . ?
C86 C81 C82 C83 1.6(11) . . . . ?
P1 C81 C82 C83 -174.9(6) . . . . ?
C81 C82 C83 C84 -0.2(12) . . . . ?
C82 C83 C84 C85 -1.7(12) . . . . ?
C83 C84 C85 C86 2.2(13) . . . . ?
C82 C81 C86 C85 -1.1(11) . . . . ?
P1 C81 C86 C85 175.2(6) . . . . ?
C84 C85 C86 C81 -0.8(13) . . . . ?
C93 P1 C87 C88 -117.7(7) . . . . ?
C81 P1 C87 C88 135.4(7) . . . . ?
Pt1 P1 C87 C88 14.7(7) . . . . ?
C93 P1 C87 C92 63.5(8) . . . . ?
C81 P1 C87 C92 -43.5(7) . . . . ?
Pt1 P1 C87 C92 -164.2(6) . . . . ?
C92 C87 C88 C89 -1.7(13) . . . . ?
P1 C87 C88 C89 179.5(7) . . . . ?
C87 C88 C89 C90 1.5(14) . . . . ?
C88 C89 C90 C91 -0.8(14) . . . . ?
C89 C90 C91 C92 0.3(13) . . . . ?
C90 C91 C92 C87 -0.6(13) . . . . ?
C88 C87 C92 C91 1.2(12) . . . . ?
P1 C87 C92 C91 -179.9(6) . . . . ?
C87 P1 C93 C94 -7.0(9) . . . . ?
C81 P1 C93 C94 99.1(8) . . . . ?
Pt1 P1 C93 C94 -132.6(7) . . . . ?
C87 P1 C93 C98 173.9(7) . . . . ?
C81 P1 C93 C98 -79.9(7) . . . . ?
Pt1 P1 C93 C98 48.3(8) . . . . ?
C98 C93 C94 C95 0.0(15) . . . . ?
P1 C93 C94 C95 -179.1(8) . . . . ?
C93 C94 C95 C96 -0.2(17) . . . . ?
C94 C95 C96 C97 1.2(18) . . . . ?
C95 C96 C97 C98 -2.0(18) . . . . ?
C96 C97 C98 C93 1.7(16) . . . . ?
C94 C93 C98 C97 -0.8(14) . . . . ?
P1 C93 C98 C97 178.4(8) . . . . ?
C105 P2 C99 C104 -70.2(8) . . . . ?
C111 P2 C99 C104 37.7(8) . . . . ?
Pt1 P2 C99 C104 167.7(6) . . . . ?
C105 P2 C99 C100 104.1(7) . . . . ?
C111 P2 C99 C100 -148.0(7) . . . . ?
Pt1 P2 C99 C100 -17.9(8) . . . . ?
C104 C99 C100 C101 -1.0(13) . . . . ?
P2 C99 C100 C101 -175.4(7) . . . . ?
C99 C100 C101 C102 1.4(14) . . . . ?
C100 C101 C102 C103 -0.9(15) . . . . ?
C101 C102 C103 C104 0.0(14) . . . . ?
C100 C99 C104 C103 0.1(13) . . . . ?
P2 C99 C104 C103 174.3(7) . . . . ?
C102 C103 C104 C99 0.4(14) . . . . ?
C99 P2 C105 C110 -179.5(7) . . . . ?
C111 P2 C105 C110 71.7(7) . . . . ?
Pt1 P2 C105 C110 -56.6(7) . . . . ?
C99 P2 C105 C106 -4.1(8) . . . . ?
C111 P2 C105 C106 -112.9(7) . . . . ?
Pt1 P2 C105 C106 118.8(7) . . . . ?
C110 C105 C106 C107 -0.8(13) . . . . ?
P2 C105 C106 C107 -176.2(7) . . . . ?
C105 C106 C107 C108 -0.2(15) . . . . ?
C106 C107 C108 C109 0.2(15) . . . . ?
C107 C108 C109 C110 0.9(14) . . . . ?
C108 C109 C110 C105 -1.9(13) . . . . ?
C106 C105 C110 C109 1.8(13) . . . . ?
P2 C105 C110 C109 177.4(7) . . . . ?
C105 P2 C111 C116 -27.8(8) . . . . ?
C99 P2 C111 C116 -135.8(7) . . . . ?
Pt1 P2 C111 C116 96.8(7) . . . . ?
C105 P2 C111 C112 156.1(6) . . . . ?
C99 P2 C111 C112 48.2(7) . . . . ?
Pt1 P2 C111 C112 -79.2(7) . . . . ?
C116 C111 C112 C113 -2.7(12) . . . . ?
P2 C111 C112 C113 173.5(6) . . . . ?
C111 C112 C113 C114 2.9(12) . . . . ?
C112 C113 C114 C115 -1.2(13) . . . . ?
C113 C114 C115 C116 -0.7(14) . . . . ?
C114 C115 C116 C111 0.9(14) . . . . ?
C112 C111 C116 C115 0.8(13) . . . . ?
P2 C111 C116 C115 -175.2(7) . . . . ?
C11B C11D C119 C120 -168.8(19) . . . . ?
C11A C11C C119 C120 176(3) . . . . ?
C11D C119 C120 C121 -173.8(17) . . . . ?
C11C C119 C120 C121 -163(2) . . . . ?
C119 C120 C121 C122 -57(2) . . . . ?
C128 C124 C125 C126 -33.2(18) . . . . ?
C123 C124 C125 C126 -161.9(16) . . . . ?
C124 C125 C126 C127 52.7(18) . . . . ?
C125 C126 C127 C128 -39.6(17) . . . . ?
C125 C124 C128 C127 8(2) . . . . ?
C123 C124 C128 C127 126(2) . . . . ?
C126 C127 C128 C124 19(2) . . . . ?

_refine_diff_density_max         5.009
_refine_diff_density_min         -3.722
_refine_diff_density_rms         0.163

# start Validation Reply Form
_vrf_PLAT971_sg01                
;
PROBLEM: Check Calcd Resid. Dens. 0.89A From Pt1 5.09 eA-3
RESPONSE: This is either due to Fourier truncation error or to
cracking that was observed in the crystal and in split peaks.
;
_vrf_PLAT972_sg01                
;
PROBLEM: Check Calcd Resid. Dens. 1.92A From C103 -3.62 eA-3
RESPONSE: The reason for this is unknown.
;
# end Validation Reply Form
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: carbon disulfide/hexanes'
_exptl_crystal_preparation       Electrochemistry
####################################################################### 
# 
# 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_sg05a
_database_code_depnum_ccdc_archive 'CCDC 2087935'
loop_
_audit_author_name
_audit_author_address
'Marilyn Olmstead'
;University of California, Davis
United States of America
;
_audit_update_record             
;
2021-06-03 deposited with the CCDC.	2021-09-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C116 H44 N2 O2 P2 Pt, 3(C6 H6)'
_chemical_formula_sum            'C134 H62 N2 O2 P2 Pt'
_chemical_formula_weight         1988.88

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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.7186(12)
_cell_length_b                   16.4565(14)
_cell_length_c                   19.6359(16)
_cell_angle_alpha                79.689(2)
_cell_angle_beta                 81.529(2)
_cell_angle_gamma                65.546(2)
_cell_volume                     4245.3(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9799
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      26.3

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_F_000             2008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.214
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.082
_exptl_absorpt_coefficient_mu    1.757
_shelx_estimated_absorpt_T_min   0.705
_shelx_estimated_absorpt_T_max   0.869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6766
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS (Sheldrick,2016/2)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker Kappa Duo'
_diffrn_measurement_method       'ω and φ'
_diffrn_detector_area_resol_mean 10.42
_diffrn_reflns_number            91561
_diffrn_reflns_av_unetI/netI     0.1046
_diffrn_reflns_av_R_equivalents  0.1214
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.074
_diffrn_reflns_theta_max         26.821
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             17544
_reflns_number_gt                14022
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex3 (Bruker, 2017)'
_computing_cell_refinement       'SAINT (Bruker, 2017)'
_computing_data_reduction        'SAINT (Bruker, 2017)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0576P)²+19.6814P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         17544
_refine_ls_number_parameters     1265
_refine_ls_number_restraints     558
_refine_ls_R_factor_all          0.0940
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1451
_refine_ls_wR_factor_gt          0.1342
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.094
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.34761(2) 0.90819(2) 0.22430(2) 0.01426(8) Uani 1 1 d . . . . .
P1 P 0.47185(12) 0.92097(10) 0.27940(8) 0.0168(3) Uani 1 1 d . . . . .
P2 P 0.27912(12) 1.05488(10) 0.16701(8) 0.0165(3) Uani 1 1 d . . . . .
O1 O 0.2636(3) 0.8974(3) 0.3738(2) 0.0214(10) Uani 1 1 d . . . . .
O2 O 0.0842(3) 0.9451(3) 0.2857(2) 0.0196(9) Uani 1 1 d . . . . .
N1 N 0.0995(4) 0.8564(3) 0.4237(3) 0.0192(11) Uani 1 1 d . . . . .
N2 N 0.3229(4) 0.7228(4) 0.5132(3) 0.0245(12) Uani 1 1 d . . . . .
C1 C 0.0327(4) 0.7639(4) 0.2971(3) 0.0172(13) Uani 1 1 d . . . . .
C2 C 0.1337(5) 0.6822(4) 0.3916(3) 0.0180(13) Uani 1 1 d . . . . .
C3 C 0.2105(5) 0.6972(4) 0.4107(3) 0.0176(13) Uani 1 1 d . . . . .
C4 C 0.2747(5) 0.8207(4) 0.3780(3) 0.0168(13) Uani 1 1 d . . . . .
C5 C 0.3552(5) 0.7535(4) 0.3365(3) 0.0192(13) Uani 1 1 d . . . . .
C6 C 0.3887(5) 0.7790(4) 0.2701(3) 0.0151(12) Uani 1 1 d . . . . .
C7 C 0.2710(5) 0.8625(4) 0.1731(3) 0.0153(12) Uani 1 1 d . . . . .
C8 C 0.1701(5) 0.8774(4) 0.1804(3) 0.0154(12) Uani 1 1 d . . . . .
C9 C 0.0988(4) 0.8938(4) 0.2455(3) 0.0148(12) Uani 1 1 d . . . . .
C10 C 0.0471(4) 0.8282(4) 0.2458(3) 0.0158(12) Uani 1 1 d . . . . .
C11 C 0.0547(5) 0.8147(4) 0.1750(3) 0.0174(13) Uani 1 1 d . . . . .
C12 C 0.0370(5) 0.7480(4) 0.1544(3) 0.0171(12) Uani 1 1 d . . . . .
C13 C 0.0290(5) 0.6781(4) 0.2074(3) 0.0179(13) Uani 1 1 d . . . . .
C14 C 0.0381(5) 0.6802(4) 0.2769(3) 0.0181(13) Uani 1 1 d . . . . .
C15 C 0.0927(5) 0.5941(4) 0.3188(3) 0.0185(13) Uani 1 1 d . . . . .
C16 C 0.1481(5) 0.5966(4) 0.3728(3) 0.0190(13) Uani 1 1 d . . . . .
C17 C 0.2386(5) 0.5245(4) 0.3886(3) 0.0191(13) Uani 1 1 d . . . . .
C18 C 0.3221(5) 0.5415(4) 0.4014(3) 0.0191(13) Uani 1 1 d . . . . .
C19 C 0.3110(5) 0.6285(4) 0.4029(3) 0.0193(13) Uani 1 1 d . . . . .
C20 C 0.3848(5) 0.6598(4) 0.3625(3) 0.0173(13) Uani 1 1 d . . . . .
C21 C 0.4666(5) 0.5983(4) 0.3286(3) 0.0199(13) Uani 1 1 d . . . . .
C22 C 0.4993(5) 0.6244(4) 0.2586(3) 0.0184(13) Uani 1 1 d . . . . .
C23 C 0.4482(5) 0.7114(4) 0.2255(3) 0.0180(13) Uani 1 1 d . . . . .
C24 C 0.4293(5) 0.7227(4) 0.1518(3) 0.0191(13) Uani 1 1 d . . . . .
C25 C 0.3343(5) 0.7950(4) 0.1276(3) 0.0165(12) Uani 1 1 d . . . . .
C26 C 0.2910(5) 0.7772(4) 0.0758(3) 0.0167(13) Uani 1 1 d . . . . .
C27 C 0.1841(5) 0.8041(4) 0.0796(3) 0.0185(13) Uani 1 1 d . . . . .
C28 C 0.1296(5) 0.8440(4) 0.1367(3) 0.0162(12) Uani 1 1 d . . . . .
C29 C 0.1633(5) 0.7356(4) 0.0563(3) 0.0194(13) Uani 1 1 d . . . . .
C30 C 0.0897(5) 0.7085(4) 0.0920(3) 0.0204(13) Uani 1 1 d . . . . .
C31 C 0.1092(5) 0.6143(4) 0.1049(3) 0.0211(14) Uani 1 1 d . . . . .
C32 C 0.0687(5) 0.5960(4) 0.1767(3) 0.0214(14) Uani 1 1 d . . . . .
C33 C 0.1165(5) 0.5164(4) 0.2162(3) 0.0233(14) Uani 1 1 d . . . . .
C34 C 0.1273(5) 0.5146(4) 0.2879(3) 0.0222(14) Uani 1 1 d . . . . .
C35 C 0.2215(5) 0.4392(4) 0.3062(3) 0.0216(14) Uani 1 1 d . . . . .
C36 C 0.2759(5) 0.4454(4) 0.3542(3) 0.0228(14) Uani 1 1 d . . . . .
C37 C 0.3842(5) 0.4150(4) 0.3426(3) 0.0221(14) Uani 1 1 d . . . . .
C38 C 0.4109(5) 0.4759(4) 0.3702(3) 0.0228(14) Uani 1 1 d . . . . .
C39 C 0.4836(5) 0.5044(4) 0.3343(3) 0.0199(13) Uani 1 1 d . . . . .
C40 C 0.5309(5) 0.4717(4) 0.2694(4) 0.0231(14) Uani 1 1 d . . . . .
C41 C 0.5411(5) 0.5474(4) 0.2228(3) 0.0208(14) Uani 1 1 d . . . . .
C42 C 0.5298(5) 0.5569(4) 0.1538(3) 0.0230(14) Uani 1 1 d . . . . .
C43 C 0.4737(5) 0.6463(4) 0.1176(3) 0.0217(14) Uani 1 1 d . . . . .
C44 C 0.4266(5) 0.6318(4) 0.0638(3) 0.0217(14) Uani 1 1 d . . . . .
C45 C 0.3357(5) 0.6956(4) 0.0441(3) 0.0204(14) Uani 1 1 d . . . . .
C46 C 0.2577(5) 0.6694(4) 0.0318(3) 0.0198(13) Uani 1 1 d . . . . .
C47 C 0.2737(6) 0.5795(4) 0.0409(3) 0.0251(15) Uani 1 1 d . . . . .
C48 C 0.1967(5) 0.5502(4) 0.0789(3) 0.0230(14) Uani 1 1 d . . . . .
C49 C 0.2469(5) 0.4652(4) 0.1208(3) 0.0247(15) Uani 1 1 d . . . . .
C50 C 0.2069(5) 0.4466(4) 0.1878(3) 0.0248(15) Uani 1 1 d . . . . .
C51 C 0.2709(6) 0.3999(4) 0.2429(4) 0.0257(15) Uani 1 1 d . . . . .
C52 C 0.3752(6) 0.3726(4) 0.2311(3) 0.0256(15) Uani 1 1 d . . . . .
C53 C 0.4318(5) 0.3809(4) 0.2811(4) 0.0226(14) Uani 1 1 d . . . . .
C54 C 0.5079(5) 0.4105(4) 0.2433(3) 0.0241(15) Uani 1 1 d . . . . .
C55 C 0.4981(5) 0.4199(4) 0.1708(4) 0.0270(15) Uani 1 1 d . . . . .
C56 C 0.5099(5) 0.4913(4) 0.1255(3) 0.0232(14) Uani 1 1 d . . . . .
C57 C 0.4464(5) 0.5371(4) 0.0702(4) 0.0264(15) Uani 1 1 d . . . . .
C58 C 0.3704(5) 0.5115(4) 0.0605(3) 0.0239(15) Uani 1 1 d . . . . .
C59 C 0.3551(5) 0.4394(4) 0.1084(4) 0.0259(16) Uani 1 1 d . . . . .
C60 C 0.4164(5) 0.3945(4) 0.1624(4) 0.0258(15) Uani 1 1 d . . . . .
C61 C 0.0360(4) 0.7588(4) 0.3765(3) 0.0150(12) Uani 1 1 d . . . . .
C62 C 0.0287(5) 0.8461(4) 0.4006(3) 0.0162(12) Uani 1 1 d . . . . .
C63 C 0.1998(5) 0.7854(4) 0.4274(3) 0.0180(13) Uani 1 1 d . . . . .
C64 C -0.0510(5) 0.7373(4) 0.4180(3) 0.0178(13) Uani 1 1 d . . . . .
C65 C -0.0367(5) 0.6952(4) 0.4878(3) 0.0225(14) Uani 1 1 d . . . . .
H H 0.024275 0.681383 0.507127 0.027 Uiso 1 1 calc R U . . .
C66 C -0.1120(5) 0.6746(4) 0.5272(3) 0.0240(14) Uani 1 1 d . . . . .
HA H -0.101961 0.645266 0.573383 0.029 Uiso 1 1 calc R U . . .
C67 C -0.2016(5) 0.6964(5) 0.4999(3) 0.0280(16) Uani 1 1 d . . . . .
HB H -0.252609 0.681000 0.527027 0.034 Uiso 1 1 calc R U . . .
C68 C -0.2172(5) 0.7411(5) 0.4325(4) 0.0289(16) Uani 1 1 d . . . . .
HC H -0.280008 0.758822 0.414374 0.035 Uiso 1 1 calc R U . . .
C69 C -0.1411(5) 0.7594(4) 0.3923(3) 0.0220(14) Uani 1 1 d . . . . .
HD H -0.151388 0.787939 0.345902 0.026 Uiso 1 1 calc R U . . .
C70 C -0.0742(5) 0.9196(4) 0.4072(3) 0.0194(13) Uani 1 1 d . . . . .
C71 C -0.1121(6) 0.9464(5) 0.4709(4) 0.0320(17) Uani 1 1 d . . . . .
HE H -0.069741 0.925751 0.507944 0.038 Uiso 1 1 calc R U . . .
C72 C -0.2136(6) 1.0045(5) 0.4824(4) 0.0393(19) Uani 1 1 d . . . . .
HF H -0.240069 1.020922 0.527371 0.047 Uiso 1 1 calc R U . . .
C73 C -0.2732(6) 1.0367(5) 0.4288(4) 0.0335(17) Uani 1 1 d . . . . .
HG H -0.341848 1.074926 0.436434 0.040 Uiso 1 1 calc R U . . .
C74 C -0.2345(5) 1.0142(5) 0.3637(4) 0.0285(16) Uani 1 1 d . . . . .
HH H -0.275383 1.039397 0.325828 0.034 Uiso 1 1 calc R U . . .
C75 C -0.1363(5) 0.9552(5) 0.3531(4) 0.0254(15) Uani 1 1 d . . . . .
HI H -0.110746 0.938447 0.308076 0.031 Uiso 1 1 calc R U . . .
C76 C 0.2272(5) 0.7740(4) 0.5023(3) 0.0195(13) Uani 1 1 d . . . . .
C77 C 0.1571(6) 0.8134(5) 0.5546(3) 0.0308(16) Uani 1 1 d . . . . .
HJ H 0.089873 0.850759 0.545035 0.037 Uiso 1 1 calc R U . . .
C78 C 0.1868(6) 0.7972(6) 0.6209(4) 0.0385(19) Uani 1 1 d . . . . .
HK H 0.139716 0.822278 0.657963 0.046 Uiso 1 1 calc R U . . .
C79 C 0.2848(6) 0.7447(5) 0.6326(3) 0.0283(16) Uani 1 1 d . . . . .
HL H 0.307098 0.733484 0.677652 0.034 Uiso 1 1 calc R U . . .
C80 C 0.3497(6) 0.7090(5) 0.5782(4) 0.0284(16) Uani 1 1 d . . . . .
HM H 0.417459 0.672272 0.586673 0.034 Uiso 1 1 calc R U . . .
C81 C 0.5160(5) 0.8343(4) 0.3537(3) 0.0182(13) Uani 1 1 d . . . . .
C82 C 0.5769(5) 0.7456(4) 0.3400(3) 0.0205(13) Uani 1 1 d . . . . .
HN H 0.599322 0.734173 0.293379 0.025 Uiso 1 1 calc R U . . .
C83 C 0.6040(5) 0.6757(4) 0.3931(4) 0.0247(15) Uani 1 1 d . . . . .
HO H 0.644232 0.616124 0.383407 0.030 Uiso 1 1 calc R U . . .
C84 C 0.5722(5) 0.6928(5) 0.4607(4) 0.0266(15) Uani 1 1 d . . . . .
HP H 0.589465 0.644408 0.497513 0.032 Uiso 1 1 calc R U . . .
C85 C 0.5157(5) 0.7795(5) 0.4754(3) 0.0254(15) Uani 1 1 d . . . . .
HQ H 0.496327 0.790741 0.522259 0.030 Uiso 1 1 calc R U . . .
C86 C 0.4871(5) 0.8505(5) 0.4215(3) 0.0231(14) Uani 1 1 d . . . . .
HR H 0.447624 0.910119 0.431680 0.028 Uiso 1 1 calc R U . . .
C87 C 0.5883(5) 0.8973(4) 0.2240(3) 0.0189(13) Uani 1 1 d . . . . .
C88 C 0.5921(6) 0.8841(6) 0.1557(4) 0.0366(18) Uani 1 1 d . . . . .
HS H 0.532002 0.894321 0.136661 0.044 Uiso 1 1 calc R U . . .
C89 C 0.6800(7) 0.8568(7) 0.1152(4) 0.056(3) Uani 1 1 d . . . . .
HT H 0.681528 0.845424 0.069214 0.067 Uiso 1 1 calc R U . . .
C90 C 0.7668(6) 0.8458(6) 0.1413(4) 0.046(2) Uani 1 1 d . . . . .
HU H 0.828097 0.828007 0.112952 0.055 Uiso 1 1 calc R U . . .
C91 C 0.7650(5) 0.8604(5) 0.2076(4) 0.0311(16) Uani 1 1 d . . . . .
HV H 0.824824 0.854372 0.224814 0.037 Uiso 1 1 calc R U . . .
C92 C 0.6768(5) 0.8840(4) 0.2501(3) 0.0229(14) Uani 1 1 d . . . . .
HW H 0.676782 0.891142 0.297011 0.027 Uiso 1 1 calc R U . . .
C93 C 0.4462(5) 1.0244(4) 0.3142(3) 0.0208(14) Uani 1 1 d . . . . .
C94 C 0.5101(5) 1.0689(4) 0.3024(4) 0.0275(15) Uani 1 1 d . . . . .
HX H 0.572369 1.044787 0.275809 0.033 Uiso 1 1 calc R U . . .
C95 C 0.4827(6) 1.1493(5) 0.3297(4) 0.0297(16) Uani 1 1 d . . . . .
HY H 0.526515 1.179779 0.321980 0.036 Uiso 1 1 calc R U . . .
C96 C 0.3930(6) 1.1841(5) 0.3674(4) 0.0348(18) Uani 1 1 d . . . . .
HZ H 0.374433 1.239477 0.385036 0.042 Uiso 1 1 calc R U . . .
C97 C 0.3290(6) 1.1405(4) 0.3805(4) 0.0296(16) Uani 1 1 d . . . . .
H1 H 0.267808 1.164361 0.408336 0.035 Uiso 1 1 calc R U . . .
C98 C 0.3547(5) 1.0611(4) 0.3526(3) 0.0246(14) Uani 1 1 d . . . . .
H2 H 0.309716 1.031803 0.359849 0.030 Uiso 1 1 calc R U . . .
C99 C 0.1935(5) 1.1366(4) 0.2233(3) 0.0215(14) Uani 1 1 d . . . . .
C100 C 0.1492(5) 1.1040(4) 0.2828(3) 0.0226(14) Uani 1 1 d . . . . .
H3 H 0.168327 1.040956 0.295073 0.027 Uiso 1 1 calc R U . . .
C101 C 0.0769(5) 1.1635(5) 0.3247(4) 0.0296(16) Uani 1 1 d . . . . .
H4 H 0.046398 1.141216 0.365459 0.036 Uiso 1 1 calc R U . . .
C102 C 0.0495(5) 1.2550(5) 0.3068(4) 0.0354(19) Uani 1 1 d . . . . .
H5 H 0.000031 1.295460 0.335471 0.06(3) Uiso 1 1 calc R . . . .
C103 C 0.0930(6) 1.2882(5) 0.2481(4) 0.0359(18) Uani 1 1 d . . . . .
H6 H 0.073773 1.351341 0.236356 0.043 Uiso 1 1 calc R U . . .
C104 C 0.1654(5) 1.2294(5) 0.2057(4) 0.0300(16) Uani 1 1 d . . . . .
H7 H 0.195513 1.252190 0.165065 0.036 Uiso 1 1 calc R U . . .
C105 C 0.2008(5) 1.0646(4) 0.0994(3) 0.0198(13) Uani 1 1 d . . . . .
C106 C 0.1011(5) 1.1256(5) 0.0991(4) 0.0282(15) Uani 1 1 d . . . . .
H8 H 0.074285 1.166975 0.132207 0.034 Uiso 1 1 calc R U . . .
C107 C 0.0402(6) 1.1264(5) 0.0503(4) 0.0367(18) Uani 1 1 d . . . . .
H9 H -0.028306 1.166849 0.051498 0.044 Uiso 1 1 calc R U . . .
C108 C 0.0793(6) 1.0684(5) 0.0004(4) 0.0344(18) Uani 1 1 d . . . . .
H10 H 0.038487 1.069351 -0.033219 0.041 Uiso 1 1 calc R U . . .
C109 C 0.1797(6) 1.0084(5) 0.0001(3) 0.0271(15) Uani 1 1 d . . . . .
H11 H 0.207619 0.968319 -0.033890 0.032 Uiso 1 1 calc R U . . .
C110 C 0.2387(5) 1.0073(4) 0.0493(3) 0.0228(14) Uani 1 1 d . . . . .
H12 H 0.306854 0.966079 0.048635 0.027 Uiso 1 1 calc R U . . .
C111 C 0.3678(5) 1.1033(4) 0.1229(3) 0.0214(14) Uani 1 1 d . . . . .
C112 C 0.4018(5) 1.1496(4) 0.1603(3) 0.0236(14) Uani 1 1 d . . . . .
H13 H 0.374345 1.160062 0.206373 0.028 Uiso 1 1 calc R U . . .
C113 C 0.4751(5) 1.1797(4) 0.1297(4) 0.0267(15) Uani 1 1 d . . . . .
H14 H 0.498539 1.210227 0.155082 0.032 Uiso 1 1 calc R U . . .
C114 C 0.5135(6) 1.1657(5) 0.0634(4) 0.0321(17) Uani 1 1 d . . . . .
H15 H 0.563582 1.186819 0.042712 0.039 Uiso 1 1 calc R U . . .
C115 C 0.4815(6) 1.1221(5) 0.0264(4) 0.0321(17) Uani 1 1 d . . . . .
H16 H 0.508434 1.113460 -0.020076 0.038 Uiso 1 1 calc R U . . .
C116 C 0.4084(6) 1.0897(5) 0.0568(4) 0.0289(16) Uani 1 1 d . . . . .
H17 H 0.387123 1.057986 0.031078 0.035 Uiso 1 1 calc R U . . .
C1_1 C 0.7096(6) 0.2268(5) 0.1420(4) 0.045(2) Uani 1 1 d D . . . .
H1_1 H 0.648758 0.259865 0.120472 0.054 Uiso 1 1 calc R U . . .
C2_1 C 0.7453(6) 0.1338(5) 0.1550(4) 0.044(2) Uani 1 1 d D . . . .
H2_1 H 0.708049 0.103477 0.143567 0.052 Uiso 1 1 calc R U . . .
C3_1 C 0.8345(6) 0.0854(5) 0.1843(4) 0.051(2) Uani 1 1 d D . . . .
H3_1 H 0.860828 0.021447 0.191030 0.061 Uiso 1 1 calc R U . . .
C4_1 C 0.8859(6) 0.1298(5) 0.2039(4) 0.048(2) Uani 1 1 d D . . . .
H4_1 H 0.946635 0.096367 0.225475 0.057 Uiso 1 1 calc R U . . .
C5_1 C 0.8495(6) 0.2232(5) 0.1923(4) 0.043(2) Uani 1 1 d D . . . .
H5_1 H 0.884587 0.253810 0.206328 0.052 Uiso 1 1 calc R U . . .
C6_1 C 0.7612(6) 0.2715(5) 0.1599(4) 0.0404(19) Uani 1 1 d D . . . .
H6_1 H 0.736682 0.335212 0.150305 0.048 Uiso 1 1 calc R U . . .
C1_2 C -0.1932(8) 0.5117(7) 0.2778(5) 0.066(3) Uani 1 1 d D . . . .
H1_2 H -0.204294 0.522894 0.229876 0.080 Uiso 1 1 calc R U . . .
C2_2 C -0.2275(7) 0.4548(6) 0.3227(4) 0.049(2) Uani 1 1 d D . . . .
H2_2 H -0.262815 0.426305 0.306050 0.059 Uiso 1 1 calc R U . . .
C3_2 C -0.2105(7) 0.4386(5) 0.3923(4) 0.045(2) Uani 1 1 d D . . . .
H3_2 H -0.234300 0.399143 0.423570 0.054 Uiso 1 1 calc R U . . .
C4_2 C -0.1596(6) 0.4796(5) 0.4160(4) 0.044(2) Uani 1 1 d D . . . .
H4_2 H -0.150097 0.469861 0.464092 0.053 Uiso 1 1 calc R U . . .
C5_2 C -0.1224(6) 0.5341(6) 0.3716(5) 0.054(3) Uani 1 1 d D . . . .
H5_2 H -0.083178 0.559005 0.388039 0.065 Uiso 1 1 calc R U . . .
C6_2 C -0.1419(8) 0.5530(7) 0.3032(5) 0.067(3) Uani 1 1 d D . . . .
H6_2 H -0.120324 0.594528 0.272855 0.080 Uiso 1 1 calc R U . . .
C1_3 C 0.7255(16) 0.6396(16) 0.0342(13) 0.082(8) Uiso 0.5 1 d D . P A -1
H1_3 H 0.655460 0.671418 0.030510 0.098 Uiso 0.5 1 calc R U P A -1
C2_3 C 0.7658(16) 0.5537(16) 0.0731(13) 0.134(8) Uiso 0.5 1 d D . P A -1
H2_3 H 0.721203 0.527928 0.097358 0.160 Uiso 0.5 1 calc R U P A -1
C3_3 C 0.8688(15) 0.5048(12) 0.0776(10) 0.064(6) Uiso 0.5 1 d D . P A -1
H3_3 H 0.894515 0.445970 0.102527 0.077 Uiso 0.5 1 calc R U P A -1
C4_3 C 0.9318(17) 0.5454(17) 0.0442(15) 0.120(11) Uiso 0.5 1 d D . P A -1
H4_3 H 1.001131 0.517268 0.051176 0.143 Uiso 0.5 1 calc R U P A -1
C5_3 C 0.896(2) 0.626(2) 0.0009(19) 0.19(2) Uiso 0.5 1 d D . P A -1
H5_3 H 0.940645 0.647345 -0.028677 0.225 Uiso 0.5 1 calc R U P A -1
C6_3 C 0.794(2) 0.6750(17) 0.0015(15) 0.104(10) Uiso 0.5 1 d D . P A -1
H6_3 H 0.769228 0.735134 -0.021247 0.125 Uiso 0.5 1 calc R U P A -1
C1_4 C 0.7394(14) 0.6728(13) -0.0067(10) 0.068(6) Uiso 0.5 1 d D . P B -2
H1_4 H 0.689452 0.709257 -0.037570 0.081 Uiso 0.5 1 calc R U P B -2
C2_4 C 0.8222(14) 0.6917(12) -0.0048(10) 0.061(6) Uiso 0.5 1 d D . P B -2
H2_4 H 0.829855 0.741319 -0.034333 0.074 Uiso 0.5 1 calc R U P B -2
C3_4 C 0.8928(15) 0.6380(15) 0.0400(12) 0.087(8) Uiso 0.5 1 d D . P B -2
H3_4 H 0.949179 0.651436 0.041643 0.104 Uiso 0.5 1 calc R U P B -2
C4_4 C 0.885(2) 0.565(2) 0.0832(16) 0.174(18) Uiso 0.5 1 d D . P B -2
H4_4 H 0.935683 0.527854 0.113197 0.209 Uiso 0.5 1 calc R U P B -2
C5_4 C 0.802(2) 0.5446(19) 0.0826(16) 0.134(8) Uiso 0.5 1 d D . P B -2
H5_4 H 0.794019 0.495040 0.112238 0.160 Uiso 0.5 1 calc R U P B -2
C6_4 C 0.730(2) 0.6003(19) 0.0368(14) 0.107(11) Uiso 0.5 1 d D . P B -2
H6_4 H 0.672973 0.587993 0.035490 0.128 Uiso 0.5 1 calc R U P B -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C6 2.027(5) . ?
Pt1 C7 2.038(6) . ?
Pt1 P2 2.3358(16) . ?
Pt1 P1 2.3539(16) . ?
P1 C93 1.822(6) . ?
P1 C87 1.822(6) . ?
P1 C81 1.831(6) . ?
P2 C99 1.826(7) . ?
P2 C105 1.828(6) . ?
P2 C111 1.835(6) . ?
O1 C4 1.193(7) . ?
O2 C9 1.190(7) . ?
N1 C62 1.279(8) . ?
N1 C63 1.456(8) . ?
N2 C76 1.335(8) . ?
N2 C80 1.343(9) . ?
C1 C10 1.387(8) . ?
C1 C14 1.469(8) . ?
C1 C61 1.553(8) . ?
C2 C3 1.367(9) . ?
C2 C16 1.443(9) . ?
C2 C61 1.496(9) . ?
C3 C19 1.449(9) . ?
C3 C63 1.485(8) . ?
C4 C5 1.497(9) . ?
C4 C63 1.584(8) . ?
C5 C6 1.380(8) . ?
C5 C20 1.434(8) . ?
C6 C23 1.444(9) . ?
C7 C8 1.390(8) . ?
C7 C25 1.468(8) . ?
C8 C28 1.409(8) . ?
C8 C9 1.517(8) . ?
C9 C10 1.556(8) . ?
C10 C11 1.427(8) . ?
C11 C12 1.366(8) . ?
C11 C28 1.443(8) . ?
C12 C13 1.437(8) . ?
C12 C30 1.453(9) . ?
C13 C14 1.398(9) . ?
C13 C32 1.436(8) . ?
C14 C15 1.472(9) . ?
C15 C34 1.408(9) . ?
C15 C16 1.445(9) . ?
C16 C17 1.400(9) . ?
C17 C18 1.434(9) . ?
C17 C36 1.437(9) . ?
C18 C19 1.377(9) . ?
C18 C38 1.443(9) . ?
C19 C20 1.461(8) . ?
C20 C21 1.384(9) . ?
C21 C22 1.440(8) . ?
C21 C39 1.444(8) . ?
C22 C23 1.398(8) . ?
C22 C41 1.424(9) . ?
C23 C24 1.480(9) . ?
C24 C43 1.396(9) . ?
C24 C25 1.487(9) . ?
C25 C26 1.407(8) . ?
C26 C45 1.440(9) . ?
C26 C27 1.442(9) . ?
C27 C28 1.378(8) . ?
C27 C29 1.444(8) . ?
C29 C30 1.388(9) . ?
C29 C46 1.445(9) . ?
C30 C31 1.436(9) . ?
C31 C48 1.381(10) . ?
C31 C32 1.477(9) . ?
C32 C33 1.359(9) . ?
C33 C34 1.432(9) . ?
C33 C50 1.465(9) . ?
C34 C35 1.468(10) . ?
C35 C36 1.365(9) . ?
C35 C51 1.459(9) . ?
C36 C37 1.454(9) . ?
C37 C53 1.390(9) . ?
C37 C38 1.427(9) . ?
C38 C39 1.393(9) . ?
C39 C40 1.439(9) . ?
C40 C54 1.383(9) . ?
C40 C41 1.455(8) . ?
C41 C42 1.362(9) . ?
C42 C56 1.444(9) . ?
C42 C43 1.466(9) . ?
C43 C44 1.446(9) . ?
C44 C45 1.374(9) . ?
C44 C57 1.448(9) . ?
C45 C46 1.445(9) . ?
C46 C47 1.380(9) . ?
C47 C58 1.455(10) . ?
C47 C48 1.465(9) . ?
C48 C49 1.446(10) . ?
C49 C50 1.397(9) . ?
C49 C59 1.463(10) . ?
C50 C51 1.431(10) . ?
C51 C52 1.405(10) . ?
C52 C53 1.435(10) . ?
C52 C60 1.443(9) . ?
C53 C54 1.455(9) . ?
C54 C55 1.427(10) . ?
C55 C56 1.396(9) . ?
C55 C60 1.466(10) . ?
C56 C57 1.430(10) . ?
C57 C58 1.396(10) . ?
C58 C59 1.450(9) . ?
C59 C60 1.392(10) . ?
C61 C64 1.546(8) . ?
C61 C62 1.548(8) . ?
C62 C70 1.502(9) . ?
C63 C76 1.542(8) . ?
C64 C69 1.371(9) . ?
C64 C65 1.422(9) . ?
C65 C66 1.380(9) . ?
C65 H 0.9500 . ?
C66 C67 1.379(10) . ?
C66 HA 0.9500 . ?
C67 C68 1.396(10) . ?
C67 HB 0.9500 . ?
C68 C69 1.379(9) . ?
C68 HC 0.9500 . ?
C69 HD 0.9500 . ?
C70 C71 1.363(9) . ?
C70 C75 1.389(9) . ?
C71 C72 1.411(11) . ?
C71 HE 0.9500 . ?
C72 C73 1.359(11) . ?
C72 HF 0.9500 . ?
C73 C74 1.369(10) . ?
C73 HG 0.9500 . ?
C74 C75 1.377(10) . ?
C74 HH 0.9500 . ?
C75 HI 0.9500 . ?
C76 C77 1.381(9) . ?
C77 C78 1.380(10) . ?
C77 HJ 0.9500 . ?
C78 C79 1.369(11) . ?
C78 HK 0.9500 . ?
C79 C80 1.363(10) . ?
C79 HL 0.9500 . ?
C80 HM 0.9500 . ?
C81 C86 1.376(9) . ?
C81 C82 1.412(9) . ?
C82 C83 1.373(9) . ?
C82 HN 0.9500 . ?
C83 C84 1.378(10) . ?
C83 HO 0.9500 . ?
C84 C85 1.380(10) . ?
C84 HP 0.9500 . ?
C85 C86 1.394(9) . ?
C85 HQ 0.9500 . ?
C86 HR 0.9500 . ?
C87 C88 1.387(9) . ?
C87 C92 1.388(9) . ?
C88 C89 1.360(11) . ?
C88 HS 0.9500 . ?
C89 C90 1.377(12) . ?
C89 HT 0.9500 . ?
C90 C91 1.359(11) . ?
C90 HU 0.9500 . ?
C91 C92 1.383(9) . ?
C91 HV 0.9500 . ?
C92 HW 0.9500 . ?
C93 C94 1.386(9) . ?
C93 C98 1.391(9) . ?
C94 C95 1.396(9) . ?
C94 HX 0.9500 . ?
C95 C96 1.362(11) . ?
C95 HY 0.9500 . ?
C96 C97 1.376(10) . ?
C96 HZ 0.9500 . ?
C97 C98 1.392(9) . ?
C97 H1 0.9500 . ?
C98 H2 0.9500 . ?
C99 C100 1.385(9) . ?
C99 C104 1.397(9) . ?
C100 C101 1.392(9) . ?
C100 H3 0.9500 . ?
C101 C102 1.379(10) . ?
C101 H4 0.9500 . ?
C102 C103 1.373(11) . ?
C102 H5 0.9500 . ?
C103 C104 1.391(10) . ?
C103 H6 0.9500 . ?
C104 H7 0.9500 . ?
C105 C110 1.379(9) . ?
C105 C106 1.393(10) . ?
C106 C107 1.400(10) . ?
C106 H8 0.9500 . ?
C107 C108 1.385(11) . ?
C107 H9 0.9500 . ?
C108 C109 1.396(11) . ?
C108 H10 0.9500 . ?
C109 C110 1.384(9) . ?
C109 H11 0.9500 . ?
C110 H12 0.9500 . ?
C111 C116 1.362(9) . ?
C111 C112 1.412(9) . ?
C112 C113 1.384(9) . ?
C112 H13 0.9500 . ?
C113 C114 1.362(10) . ?
C113 H14 0.9500 . ?
C114 C115 1.353(10) . ?
C114 H15 0.9500 . ?
C115 C116 1.403(10) . ?
C115 H16 0.9500 . ?
C116 H17 0.9500 . ?
C1_1 C6_1 1.369(9) . ?
C1_1 C2_1 1.384(9) . ?
C1_1 H1_1 0.9500 . ?
C2_1 C3_1 1.372(9) . ?
C2_1 H2_1 0.9500 . ?
C3_1 C4_1 1.378(9) . ?
C3_1 H3_1 0.9500 . ?
C4_1 C5_1 1.389(9) . ?
C4_1 H4_1 0.9500 . ?
C5_1 C6_1 1.390(9) . ?
C5_1 H5_1 0.9500 . ?
C6_1 H6_1 0.9500 . ?
C1_2 C2_2 1.369(9) . ?
C1_2 C6_2 1.392(10) . ?
C1_2 H1_2 0.9500 . ?
C2_2 C3_2 1.386(9) . ?
C2_2 H2_2 0.9500 . ?
C3_2 C4_2 1.366(9) . ?
C3_2 H3_2 0.9500 . ?
C4_2 C5_2 1.361(9) . ?
C4_2 H4_2 0.9500 . ?
C5_2 C6_2 1.370(10) . ?
C5_2 H5_2 0.9500 . ?
C6_2 H6_2 0.9500 . ?
C1_3 C6_3 1.385(13) . ?
C1_3 C2_3 1.410(13) . ?
C1_3 H1_3 0.9500 . ?
C2_3 C3_3 1.399(13) . ?
C2_3 H2_3 0.9500 . ?
C3_3 C4_3 1.382(13) . ?
C3_3 H3_3 0.9500 . ?
C4_3 C5_3 1.382(14) . ?
C4_3 H4_3 0.9500 . ?
C5_3 C6_3 1.381(14) . ?
C5_3 H5_3 0.9500 . ?
C6_3 H6_3 0.9500 . ?
C1_4 C6_4 1.380(13) . ?
C1_4 C2_4 1.384(13) . ?
C1_4 H1_4 0.9500 . ?
C2_4 C3_4 1.367(13) . ?
C2_4 H2_4 0.9500 . ?
C3_4 C4_4 1.384(13) . ?
C3_4 H3_4 0.9500 . ?
C4_4 C5_4 1.393(14) . ?
C4_4 H4_4 0.9500 . ?
C5_4 C6_4 1.393(13) . ?
C5_4 H5_4 0.9500 . ?
C6_4 H6_4 0.9500 . ?

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
C6 Pt1 C7 78.3(2) . . ?
C6 Pt1 P2 171.35(17) . . ?
C7 Pt1 P2 93.70(16) . . ?
C6 Pt1 P1 89.55(17) . . ?
C7 Pt1 P1 163.89(18) . . ?
P2 Pt1 P1 98.91(5) . . ?
C93 P1 C87 106.3(3) . . ?
C93 P1 C81 102.8(3) . . ?
C87 P1 C81 100.2(3) . . ?
C93 P1 Pt1 120.0(2) . . ?
C87 P1 Pt1 111.8(2) . . ?
C81 P1 Pt1 113.5(2) . . ?
C99 P2 C105 103.0(3) . . ?
C99 P2 C111 105.5(3) . . ?
C105 P2 C111 104.6(3) . . ?
C99 P2 Pt1 113.6(2) . . ?
C105 P2 Pt1 112.1(2) . . ?
C111 P2 Pt1 116.8(2) . . ?
C62 N1 C63 122.2(5) . . ?
C76 N2 C80 117.4(6) . . ?
C10 C1 C14 118.7(5) . . ?
C10 C1 C61 126.6(5) . . ?
C14 C1 C61 113.1(5) . . ?
C3 C2 C16 122.0(6) . . ?
C3 C2 C61 120.6(5) . . ?
C16 C2 C61 116.5(6) . . ?
C2 C3 C19 118.1(6) . . ?
C2 C3 C63 123.6(6) . . ?
C19 C3 C63 117.4(5) . . ?
O1 C4 C5 123.7(5) . . ?
O1 C4 C63 120.3(5) . . ?
C5 C4 C63 116.0(5) . . ?
C6 C5 C20 119.9(6) . . ?
C6 C5 C4 121.2(5) . . ?
C20 C5 C4 118.1(5) . . ?
C5 C6 C23 119.9(5) . . ?
C5 C6 Pt1 124.5(5) . . ?
C23 C6 Pt1 115.3(4) . . ?
C8 C7 C25 114.9(5) . . ?
C8 C7 Pt1 130.1(4) . . ?
C25 C7 Pt1 114.5(4) . . ?
C7 C8 C28 121.7(5) . . ?
C7 C8 C9 127.9(5) . . ?
C28 C8 C9 106.1(5) . . ?
O2 C9 C8 129.1(5) . . ?
O2 C9 C10 128.5(5) . . ?
C8 C9 C10 102.4(5) . . ?
C1 C10 C11 118.2(5) . . ?
C1 C10 C9 131.5(5) . . ?
C11 C10 C9 105.5(5) . . ?
C12 C11 C10 123.9(5) . . ?
C12 C11 C28 120.1(6) . . ?
C10 C11 C28 108.5(5) . . ?
C11 C12 C13 117.2(5) . . ?
C11 C12 C30 120.7(5) . . ?
C13 C12 C30 109.2(5) . . ?
C14 C13 C32 122.7(6) . . ?
C14 C13 C12 120.6(5) . . ?
C32 C13 C12 107.4(5) . . ?
C13 C14 C1 118.6(5) . . ?
C13 C14 C15 117.5(6) . . ?
C1 C14 C15 118.9(5) . . ?
C34 C15 C16 118.3(6) . . ?
C34 C15 C14 118.2(6) . . ?
C16 C15 C14 117.0(5) . . ?
C17 C16 C2 116.3(6) . . ?
C17 C16 C15 120.0(6) . . ?
C2 C16 C15 119.6(5) . . ?
C16 C17 C18 119.9(5) . . ?
C16 C17 C36 121.2(6) . . ?
C18 C17 C36 108.5(6) . . ?
C19 C18 C17 119.9(6) . . ?
C19 C18 C38 122.7(6) . . ?
C17 C18 C38 107.1(6) . . ?
C18 C19 C3 118.2(6) . . ?
C18 C19 C20 118.8(6) . . ?
C3 C19 C20 115.3(5) . . ?
C21 C20 C5 118.0(5) . . ?
C21 C20 C19 118.1(5) . . ?
C5 C20 C19 119.4(6) . . ?
C20 C21 C22 119.4(6) . . ?
C20 C21 C39 122.5(6) . . ?
C22 C21 C39 107.2(5) . . ?
C23 C22 C41 122.7(6) . . ?
C23 C22 C21 119.8(6) . . ?
C41 C22 C21 108.7(5) . . ?
C22 C23 C6 116.4(5) . . ?
C22 C23 C24 118.5(6) . . ?
C6 C23 C24 121.7(6) . . ?
C43 C24 C23 117.2(6) . . ?
C43 C24 C25 118.4(6) . . ?
C23 C24 C25 118.3(5) . . ?
C26 C25 C7 119.5(6) . . ?
C26 C25 C24 116.7(5) . . ?
C7 C25 C24 119.6(5) . . ?
C25 C26 C45 123.6(6) . . ?
C25 C26 C27 120.1(5) . . ?
C45 C26 C27 106.6(5) . . ?
C28 C27 C26 116.6(6) . . ?
C28 C27 C29 120.0(5) . . ?
C26 C27 C29 109.1(5) . . ?
C27 C28 C8 122.2(6) . . ?
C27 C28 C11 119.9(5) . . ?
C8 C28 C11 110.7(5) . . ?
C30 C29 C27 120.3(6) . . ?
C30 C29 C46 120.0(6) . . ?
C27 C29 C46 107.4(6) . . ?
C29 C30 C31 119.2(6) . . ?
C29 C30 C12 118.8(6) . . ?
C31 C30 C12 107.6(5) . . ?
C48 C31 C30 121.8(6) . . ?
C48 C31 C32 119.2(6) . . ?
C30 C31 C32 107.3(5) . . ?
C33 C32 C13 119.5(6) . . ?
C33 C32 C31 120.2(6) . . ?
C13 C32 C31 108.3(5) . . ?
C32 C33 C34 120.1(6) . . ?
C32 C33 C50 120.7(6) . . ?
C34 C33 C50 108.2(6) . . ?
C15 C34 C33 121.8(6) . . ?
C15 C34 C35 120.5(6) . . ?
C33 C34 C35 108.0(6) . . ?
C36 C35 C51 120.8(6) . . ?
C36 C35 C34 120.1(6) . . ?
C51 C35 C34 107.3(6) . . ?
C35 C36 C17 119.7(6) . . ?
C35 C36 C37 120.9(6) . . ?
C17 C36 C37 108.0(6) . . ?
C53 C37 C38 121.2(6) . . ?
C53 C37 C36 119.0(6) . . ?
C38 C37 C36 106.9(6) . . ?
C39 C38 C37 120.0(6) . . ?
C39 C38 C18 118.3(6) . . ?
C37 C38 C18 109.3(6) . . ?
C38 C39 C40 119.2(6) . . ?
C38 C39 C21 119.0(6) . . ?
C40 C39 C21 108.8(5) . . ?
C54 C40 C39 121.3(6) . . ?
C54 C40 C41 119.4(6) . . ?
C39 C40 C41 106.9(5) . . ?
C42 C41 C22 119.7(6) . . ?
C42 C41 C40 120.3(6) . . ?
C22 C41 C40 108.4(5) . . ?
C41 C42 C56 120.7(6) . . ?
C41 C42 C43 119.5(6) . . ?
C56 C42 C43 108.5(6) . . ?
C24 C43 C44 122.5(6) . . ?
C24 C43 C42 122.1(6) . . ?
C44 C43 C42 106.0(5) . . ?
C45 C44 C43 119.7(6) . . ?
C45 C44 C57 119.9(6) . . ?
C43 C44 C57 109.2(6) . . ?
C44 C45 C26 118.9(6) . . ?
C44 C45 C46 120.8(6) . . ?
C26 C45 C46 109.2(6) . . ?
C47 C46 C45 120.0(6) . . ?
C47 C46 C29 120.3(6) . . ?
C45 C46 C29 107.4(5) . . ?
C46 C47 C58 119.6(6) . . ?
C46 C47 C48 120.0(6) . . ?
C58 C47 C48 107.4(6) . . ?
C31 C48 C49 120.5(6) . . ?
C31 C48 C47 118.4(6) . . ?
C49 C48 C47 107.7(6) . . ?
C50 C49 C48 120.4(6) . . ?
C50 C49 C59 118.8(7) . . ?
C48 C49 C59 108.8(6) . . ?
C49 C50 C51 120.7(6) . . ?
C49 C50 C33 118.8(6) . . ?
C51 C50 C33 108.1(6) . . ?
C52 C51 C50 121.0(6) . . ?
C52 C51 C35 118.1(6) . . ?
C50 C51 C35 108.3(6) . . ?
C51 C52 C53 120.8(6) . . ?
C51 C52 C60 118.4(6) . . ?
C53 C52 C60 108.6(6) . . ?
C37 C53 C52 120.3(6) . . ?
C37 C53 C54 119.1(6) . . ?
C52 C53 C54 107.9(6) . . ?
C40 C54 C55 120.0(6) . . ?
C40 C54 C53 119.3(6) . . ?
C55 C54 C53 108.2(6) . . ?
C56 C55 C54 120.9(6) . . ?
C56 C55 C60 118.7(7) . . ?
C54 C55 C60 108.0(6) . . ?
C55 C56 C57 121.3(6) . . ?
C55 C56 C42 118.7(6) . . ?
C57 C56 C42 108.3(5) . . ?
C58 C57 C56 120.4(6) . . ?
C58 C57 C44 119.4(7) . . ?
C56 C57 C44 107.8(6) . . ?
C57 C58 C59 119.0(7) . . ?
C57 C58 C47 120.1(6) . . ?
C59 C58 C47 109.0(6) . . ?
C60 C59 C58 121.0(6) . . ?
C60 C59 C49 119.9(6) . . ?
C58 C59 C49 106.9(6) . . ?
C59 C60 C52 121.2(6) . . ?
C59 C60 C55 119.5(6) . . ?
C52 C60 C55 107.3(6) . . ?
C2 C61 C64 109.7(5) . . ?
C2 C61 C62 111.6(5) . . ?
C64 C61 C62 105.9(5) . . ?
C2 C61 C1 103.4(5) . . ?
C64 C61 C1 111.4(5) . . ?
C62 C61 C1 115.0(5) . . ?
N1 C62 C70 117.2(5) . . ?
N1 C62 C61 125.6(6) . . ?
C70 C62 C61 116.5(5) . . ?
N1 C63 C3 115.2(5) . . ?
N1 C63 C76 106.2(5) . . ?
C3 C63 C76 109.3(5) . . ?
N1 C63 C4 107.9(5) . . ?
C3 C63 C4 110.8(5) . . ?
C76 C63 C4 107.0(5) . . ?
C69 C64 C65 118.9(6) . . ?
C69 C64 C61 123.8(5) . . ?
C65 C64 C61 117.3(6) . . ?
C66 C65 C64 119.7(6) . . ?
C66 C65 H 120.2 . . ?
C64 C65 H 120.2 . . ?
C67 C66 C65 120.5(6) . . ?
C67 C66 HA 119.7 . . ?
C65 C66 HA 119.7 . . ?
C66 C67 C68 119.9(6) . . ?
C66 C67 HB 120.1 . . ?
C68 C67 HB 120.1 . . ?
C69 C68 C67 119.7(7) . . ?
C69 C68 HC 120.1 . . ?
C67 C68 HC 120.1 . . ?
C64 C69 C68 121.3(6) . . ?
C64 C69 HD 119.4 . . ?
C68 C69 HD 119.4 . . ?
C71 C70 C75 118.3(6) . . ?
C71 C70 C62 118.5(6) . . ?
C75 C70 C62 122.9(5) . . ?
C70 C71 C72 120.7(7) . . ?
C70 C71 HE 119.7 . . ?
C72 C71 HE 119.7 . . ?
C73 C72 C71 119.7(7) . . ?
C73 C72 HF 120.2 . . ?
C71 C72 HF 120.2 . . ?
C72 C73 C74 120.1(7) . . ?
C72 C73 HG 119.9 . . ?
C74 C73 HG 119.9 . . ?
C73 C74 C75 120.1(7) . . ?
C73 C74 HH 120.0 . . ?
C75 C74 HH 120.0 . . ?
C74 C75 C70 121.0(6) . . ?
C74 C75 HI 119.5 . . ?
C70 C75 HI 119.5 . . ?
N2 C76 C77 122.5(6) . . ?
N2 C76 C63 115.3(6) . . ?
C77 C76 C63 122.2(6) . . ?
C78 C77 C76 118.7(7) . . ?
C78 C77 HJ 120.7 . . ?
C76 C77 HJ 120.7 . . ?
C79 C78 C77 119.2(7) . . ?
C79 C78 HK 120.4 . . ?
C77 C78 HK 120.4 . . ?
C80 C79 C78 118.6(7) . . ?
C80 C79 HL 120.7 . . ?
C78 C79 HL 120.7 . . ?
N2 C80 C79 123.6(7) . . ?
N2 C80 HM 118.2 . . ?
C79 C80 HM 118.2 . . ?
C86 C81 C82 119.0(6) . . ?
C86 C81 P1 123.1(5) . . ?
C82 C81 P1 117.7(5) . . ?
C83 C82 C81 120.8(6) . . ?
C83 C82 HN 119.6 . . ?
C81 C82 HN 119.6 . . ?
C82 C83 C84 119.4(6) . . ?
C82 C83 HO 120.3 . . ?
C84 C83 HO 120.3 . . ?
C83 C84 C85 120.7(6) . . ?
C83 C84 HP 119.7 . . ?
C85 C84 HP 119.7 . . ?
C84 C85 C86 120.1(6) . . ?
C84 C85 HQ 120.0 . . ?
C86 C85 HQ 120.0 . . ?
C81 C86 C85 120.0(6) . . ?
C81 C86 HR 120.0 . . ?
C85 C86 HR 120.0 . . ?
C88 C87 C92 118.1(6) . . ?
C88 C87 P1 120.1(5) . . ?
C92 C87 P1 121.6(5) . . ?
C89 C88 C87 121.5(7) . . ?
C89 C88 HS 119.2 . . ?
C87 C88 HS 119.2 . . ?
C88 C89 C90 119.6(8) . . ?
C88 C89 HT 120.2 . . ?
C90 C89 HT 120.2 . . ?
C91 C90 C89 120.3(7) . . ?
C91 C90 HU 119.9 . . ?
C89 C90 HU 119.9 . . ?
C90 C91 C92 120.5(7) . . ?
C90 C91 HV 119.8 . . ?
C92 C91 HV 119.8 . . ?
C91 C92 C87 120.0(6) . . ?
C91 C92 HW 120.0 . . ?
C87 C92 HW 120.0 . . ?
C94 C93 C98 119.5(6) . . ?
C94 C93 P1 123.9(5) . . ?
C98 C93 P1 116.6(5) . . ?
C93 C94 C95 119.8(7) . . ?
C93 C94 HX 120.1 . . ?
C95 C94 HX 120.1 . . ?
C96 C95 C94 120.0(6) . . ?
C96 C95 HY 120.0 . . ?
C94 C95 HY 120.0 . . ?
C95 C96 C97 121.2(7) . . ?
C95 C96 HZ 119.4 . . ?
C97 C96 HZ 119.4 . . ?
C96 C97 C98 119.4(7) . . ?
C96 C97 H1 120.3 . . ?
C98 C97 H1 120.3 . . ?
C93 C98 C97 120.1(6) . . ?
C93 C98 H2 119.9 . . ?
C97 C98 H2 119.9 . . ?
C100 C99 C104 119.6(6) . . ?
C100 C99 P2 117.3(5) . . ?
C104 C99 P2 122.8(5) . . ?
C99 C100 C101 120.1(6) . . ?
C99 C100 H3 120.0 . . ?
C101 C100 H3 120.0 . . ?
C102 C101 C100 119.8(6) . . ?
C102 C101 H4 120.1 . . ?
C100 C101 H4 120.1 . . ?
C103 C102 C101 120.7(6) . . ?
C103 C102 H5 119.6 . . ?
C101 C102 H5 119.6 . . ?
C102 C103 C104 120.0(7) . . ?
C102 C103 H6 120.0 . . ?
C104 C103 H6 120.0 . . ?
C103 C104 C99 119.8(7) . . ?
C103 C104 H7 120.1 . . ?
C99 C104 H7 120.1 . . ?
C110 C105 C106 118.6(6) . . ?
C110 C105 P2 119.8(5) . . ?
C106 C105 P2 121.5(5) . . ?
C105 C106 C107 120.5(7) . . ?
C105 C106 H8 119.8 . . ?
C107 C106 H8 119.8 . . ?
C108 C107 C106 120.2(7) . . ?
C108 C107 H9 119.9 . . ?
C106 C107 H9 119.9 . . ?
C107 C108 C109 119.1(7) . . ?
C107 C108 H10 120.5 . . ?
C109 C108 H10 120.5 . . ?
C110 C109 C108 120.1(7) . . ?
C110 C109 H11 120.0 . . ?
C108 C109 H11 120.0 . . ?
C105 C110 C109 121.5(7) . . ?
C105 C110 H12 119.2 . . ?
C109 C110 H12 119.2 . . ?
C116 C111 C112 118.5(6) . . ?
C116 C111 P2 122.1(5) . . ?
C112 C111 P2 119.2(5) . . ?
C113 C112 C111 120.0(6) . . ?
C113 C112 H13 120.0 . . ?
C111 C112 H13 120.0 . . ?
C114 C113 C112 120.0(6) . . ?
C114 C113 H14 120.0 . . ?
C112 C113 H14 120.0 . . ?
C115 C114 C113 121.0(7) . . ?
C115 C114 H15 119.5 . . ?
C113 C114 H15 119.5 . . ?
C114 C115 C116 119.8(7) . . ?
C114 C115 H16 120.1 . . ?
C116 C115 H16 120.1 . . ?
C111 C116 C115 120.6(7) . . ?
C111 C116 H17 119.7 . . ?
C115 C116 H17 119.7 . . ?
C6_1 C1_1 C2_1 120.6(7) . . ?
C6_1 C1_1 H1_1 119.7 . . ?
C2_1 C1_1 H1_1 119.7 . . ?
C3_1 C2_1 C1_1 120.0(8) . . ?
C3_1 C2_1 H2_1 120.0 . . ?
C1_1 C2_1 H2_1 120.0 . . ?
C2_1 C3_1 C4_1 119.8(7) . . ?
C2_1 C3_1 H3_1 120.1 . . ?
C4_1 C3_1 H3_1 120.1 . . ?
C3_1 C4_1 C5_1 120.5(7) . . ?
C3_1 C4_1 H4_1 119.8 . . ?
C5_1 C4_1 H4_1 119.8 . . ?
C4_1 C5_1 C6_1 119.3(7) . . ?
C4_1 C5_1 H5_1 120.4 . . ?
C6_1 C5_1 H5_1 120.4 . . ?
C1_1 C6_1 C5_1 119.8(7) . . ?
C1_1 C6_1 H6_1 120.1 . . ?
C5_1 C6_1 H6_1 120.1 . . ?
C2_2 C1_2 C6_2 119.1(8) . . ?
C2_2 C1_2 H1_2 120.5 . . ?
C6_2 C1_2 H1_2 120.5 . . ?
C1_2 C2_2 C3_2 120.0(8) . . ?
C1_2 C2_2 H2_2 120.0 . . ?
C3_2 C2_2 H2_2 120.0 . . ?
C4_2 C3_2 C2_2 119.9(7) . . ?
C4_2 C3_2 H3_2 120.1 . . ?
C2_2 C3_2 H3_2 120.1 . . ?
C5_2 C4_2 C3_2 120.8(7) . . ?
C5_2 C4_2 H4_2 119.6 . . ?
C3_2 C4_2 H4_2 119.6 . . ?
C4_2 C5_2 C6_2 119.6(8) . . ?
C4_2 C5_2 H5_2 120.2 . . ?
C6_2 C5_2 H5_2 120.2 . . ?
C5_2 C6_2 C1_2 120.5(8) . . ?
C5_2 C6_2 H6_2 119.7 . . ?
C1_2 C6_2 H6_2 119.7 . . ?
C6_3 C1_3 C2_3 116.3(15) . . ?
C6_3 C1_3 H1_3 121.9 . . ?
C2_3 C1_3 H1_3 121.9 . . ?
C3_3 C2_3 C1_3 122.7(16) . . ?
C3_3 C2_3 H2_3 118.7 . . ?
C1_3 C2_3 H2_3 118.7 . . ?
C4_3 C3_3 C2_3 117.5(15) . . ?
C4_3 C3_3 H3_3 121.3 . . ?
C2_3 C3_3 H3_3 121.3 . . ?
C3_3 C4_3 C5_3 121.3(16) . . ?
C3_3 C4_3 H4_3 119.3 . . ?
C5_3 C4_3 H4_3 119.3 . . ?
C6_3 C5_3 C4_3 118.8(17) . . ?
C6_3 C5_3 H5_3 120.6 . . ?
C4_3 C5_3 H5_3 120.6 . . ?
C5_3 C6_3 C1_3 122.3(16) . . ?
C5_3 C6_3 H6_3 118.8 . . ?
C1_3 C6_3 H6_3 118.8 . . ?
C6_4 C1_4 C2_4 119.1(15) . . ?
C6_4 C1_4 H1_4 120.4 . . ?
C2_4 C1_4 H1_4 120.4 . . ?
C3_4 C2_4 C1_4 119.0(14) . . ?
C3_4 C2_4 H2_4 120.5 . . ?
C1_4 C2_4 H2_4 120.5 . . ?
C2_4 C3_4 C4_4 122.1(16) . . ?
C2_4 C3_4 H3_4 118.9 . . ?
C4_4 C3_4 H3_4 118.9 . . ?
C3_4 C4_4 C5_4 119.9(16) . . ?
C3_4 C4_4 H4_4 120.1 . . ?
C5_4 C4_4 H4_4 120.1 . . ?
C4_4 C5_4 C6_4 117.2(16) . . ?
C4_4 C5_4 H5_4 121.4 . . ?
C6_4 C5_4 H5_4 121.4 . . ?
C1_4 C6_4 C5_4 122.6(16) . . ?
C1_4 C6_4 H6_4 118.7 . . ?
C5_4 C6_4 H6_4 118.7 . . ?

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
C16 C2 C3 C19 8.1(8) . . . . ?
C61 C2 C3 C19 -160.3(5) . . . . ?
C16 C2 C3 C63 177.2(5) . . . . ?
C61 C2 C3 C63 8.7(9) . . . . ?
O1 C4 C5 C6 -32.8(9) . . . . ?
C63 C4 C5 C6 145.0(6) . . . . ?
O1 C4 C5 C20 157.6(6) . . . . ?
C63 C4 C5 C20 -24.6(8) . . . . ?
C20 C5 C6 C23 4.0(9) . . . . ?
C4 C5 C6 C23 -165.4(6) . . . . ?
C20 C5 C6 Pt1 176.6(4) . . . . ?
C4 C5 C6 Pt1 7.1(8) . . . . ?
C25 C7 C8 C28 -12.3(8) . . . . ?
Pt1 C7 C8 C28 176.0(4) . . . . ?
C25 C7 C8 C9 141.1(6) . . . . ?
Pt1 C7 C8 C9 -30.6(9) . . . . ?
C7 C8 C9 O2 49.1(10) . . . . ?
C28 C8 C9 O2 -154.2(6) . . . . ?
C7 C8 C9 C10 -132.3(6) . . . . ?
C28 C8 C9 C10 24.4(6) . . . . ?
C14 C1 C10 C11 7.3(9) . . . . ?
C61 C1 C10 C11 171.6(6) . . . . ?
C14 C1 C10 C9 -144.1(6) . . . . ?
C61 C1 C10 C9 20.2(10) . . . . ?
O2 C9 C10 C1 -52.2(10) . . . . ?
C8 C9 C10 C1 129.3(7) . . . . ?
O2 C9 C10 C11 153.8(6) . . . . ?
C8 C9 C10 C11 -24.8(6) . . . . ?
C1 C10 C11 C12 7.9(9) . . . . ?
C9 C10 C11 C12 166.1(6) . . . . ?
C1 C10 C11 C28 -141.7(6) . . . . ?
C9 C10 C11 C28 16.4(6) . . . . ?
C10 C11 C12 C13 -12.1(9) . . . . ?
C28 C11 C12 C13 134.3(6) . . . . ?
C10 C11 C12 C30 -149.3(6) . . . . ?
C28 C11 C12 C30 -2.9(9) . . . . ?
C11 C12 C13 C14 0.7(9) . . . . ?
C30 C12 C13 C14 142.5(6) . . . . ?
C11 C12 C13 C32 -146.7(6) . . . . ?
C30 C12 C13 C32 -4.9(7) . . . . ?
C32 C13 C14 C1 156.2(6) . . . . ?
C12 C13 C14 C1 13.8(9) . . . . ?
C32 C13 C14 C15 1.4(9) . . . . ?
C12 C13 C14 C15 -141.0(6) . . . . ?
C10 C1 C14 C13 -17.9(9) . . . . ?
C61 C1 C14 C13 175.8(5) . . . . ?
C10 C1 C14 C15 136.6(6) . . . . ?
C61 C1 C14 C15 -29.7(7) . . . . ?
C13 C14 C15 C34 -3.7(8) . . . . ?
C1 C14 C15 C34 -158.5(5) . . . . ?
C13 C14 C15 C16 147.6(6) . . . . ?
C1 C14 C15 C16 -7.2(8) . . . . ?
C3 C2 C16 C17 12.7(8) . . . . ?
C61 C2 C16 C17 -178.4(5) . . . . ?
C3 C2 C16 C15 -144.5(6) . . . . ?
C61 C2 C16 C15 24.4(8) . . . . ?
C34 C15 C16 C17 5.9(8) . . . . ?
C14 C15 C16 C17 -145.4(5) . . . . ?
C34 C15 C16 C2 162.3(5) . . . . ?
C14 C15 C16 C2 11.0(8) . . . . ?
C2 C16 C17 C18 -19.0(8) . . . . ?
C15 C16 C17 C18 138.1(6) . . . . ?
C2 C16 C17 C36 -160.0(5) . . . . ?
C15 C16 C17 C36 -2.9(8) . . . . ?
C16 C17 C18 C19 4.5(9) . . . . ?
C36 C17 C18 C19 149.8(6) . . . . ?
C16 C17 C18 C38 -141.4(6) . . . . ?
C36 C17 C18 C38 4.0(7) . . . . ?
C17 C18 C19 C3 16.9(9) . . . . ?
C38 C18 C19 C3 157.3(6) . . . . ?
C17 C18 C19 C20 -131.0(6) . . . . ?
C38 C18 C19 C20 9.4(9) . . . . ?
C2 C3 C19 C18 -23.1(8) . . . . ?
C63 C3 C19 C18 167.1(5) . . . . ?
C2 C3 C19 C20 125.9(6) . . . . ?
C63 C3 C19 C20 -43.9(8) . . . . ?
C6 C5 C20 C21 17.4(9) . . . . ?
C4 C5 C20 C21 -172.8(6) . . . . ?
C6 C5 C20 C19 -138.4(6) . . . . ?
C4 C5 C20 C19 31.3(8) . . . . ?
C18 C19 C20 C21 -4.6(9) . . . . ?
C3 C19 C20 C21 -153.5(6) . . . . ?
C18 C19 C20 C5 151.3(6) . . . . ?
C3 C19 C20 C5 2.4(8) . . . . ?
C5 C20 C21 C22 -19.3(9) . . . . ?
C19 C20 C21 C22 136.9(6) . . . . ?
C5 C20 C21 C39 -159.1(6) . . . . ?
C19 C20 C21 C39 -2.9(9) . . . . ?
C20 C21 C22 C23 -0.1(9) . . . . ?
C39 C21 C22 C23 145.1(6) . . . . ?
C20 C21 C22 C41 -148.6(6) . . . . ?
C39 C21 C22 C41 -3.4(7) . . . . ?
C41 C22 C23 C6 164.9(6) . . . . ?
C21 C22 C23 C6 21.0(8) . . . . ?
C41 C22 C23 C24 5.4(9) . . . . ?
C21 C22 C23 C24 -138.5(6) . . . . ?
C5 C6 C23 C22 -23.0(9) . . . . ?
Pt1 C6 C23 C22 163.8(4) . . . . ?
C5 C6 C23 C24 135.8(6) . . . . ?
Pt1 C6 C23 C24 -37.5(7) . . . . ?
C22 C23 C24 C43 -7.0(8) . . . . ?
C6 C23 C24 C43 -165.3(5) . . . . ?
C22 C23 C24 C25 145.1(6) . . . . ?
C6 C23 C24 C25 -13.2(8) . . . . ?
C8 C7 C25 C26 24.6(7) . . . . ?
Pt1 C7 C25 C26 -162.3(4) . . . . ?
C8 C7 C25 C24 -131.5(6) . . . . ?
Pt1 C7 C25 C24 41.6(6) . . . . ?
C43 C24 C25 C26 5.8(8) . . . . ?
C23 C24 C25 C26 -146.0(5) . . . . ?
C43 C24 C25 C7 162.5(5) . . . . ?
C23 C24 C25 C7 10.7(8) . . . . ?
C7 C25 C26 C45 -159.3(5) . . . . ?
C24 C25 C26 C45 -2.5(8) . . . . ?
C7 C25 C26 C27 -17.8(8) . . . . ?
C24 C25 C26 C27 139.0(6) . . . . ?
C25 C26 C27 C28 -2.2(8) . . . . ?
C45 C26 C27 C28 145.0(5) . . . . ?
C25 C26 C27 C29 -142.1(5) . . . . ?
C45 C26 C27 C29 5.2(6) . . . . ?
C26 C27 C28 C8 15.2(8) . . . . ?
C29 C27 C28 C8 150.5(6) . . . . ?
C26 C27 C28 C11 -132.6(6) . . . . ?
C29 C27 C28 C11 2.7(9) . . . . ?
C7 C8 C28 C27 -7.6(9) . . . . ?
C9 C8 C28 C27 -166.1(5) . . . . ?
C7 C8 C28 C11 142.8(6) . . . . ?
C9 C8 C28 C11 -15.7(7) . . . . ?
C12 C11 C28 C27 -0.6(9) . . . . ?
C10 C11 C28 C27 150.4(6) . . . . ?
C12 C11 C28 C8 -151.8(6) . . . . ?
C10 C11 C28 C8 -0.8(7) . . . . ?
C28 C27 C29 C30 -1.2(9) . . . . ?
C26 C27 C29 C30 137.0(6) . . . . ?
C28 C27 C29 C46 -143.5(6) . . . . ?
C26 C27 C29 C46 -5.2(6) . . . . ?
C27 C29 C30 C31 -136.9(6) . . . . ?
C46 C29 C30 C31 0.6(9) . . . . ?
C27 C29 C30 C12 -2.2(9) . . . . ?
C46 C29 C30 C12 135.3(6) . . . . ?
C11 C12 C30 C29 4.3(9) . . . . ?
C13 C12 C30 C29 -135.9(6) . . . . ?
C11 C12 C30 C31 143.7(6) . . . . ?
C13 C12 C30 C31 3.5(7) . . . . ?
C29 C30 C31 C48 -4.2(10) . . . . ?
C12 C30 C31 C48 -143.3(6) . . . . ?
C29 C30 C31 C32 138.5(6) . . . . ?
C12 C30 C31 C32 -0.7(7) . . . . ?
C14 C13 C32 C33 0.6(9) . . . . ?
C12 C13 C32 C33 147.2(6) . . . . ?
C14 C13 C32 C31 -142.1(6) . . . . ?
C12 C13 C32 C31 4.4(7) . . . . ?
C48 C31 C32 C33 -1.0(9) . . . . ?
C30 C31 C32 C33 -144.7(6) . . . . ?
C48 C31 C32 C13 141.5(6) . . . . ?
C30 C31 C32 C13 -2.3(7) . . . . ?
C13 C32 C33 C34 -0.2(9) . . . . ?
C31 C32 C33 C34 138.1(6) . . . . ?
C13 C32 C33 C50 -140.0(6) . . . . ?
C31 C32 C33 C50 -1.7(9) . . . . ?
C16 C15 C34 C33 -146.6(6) . . . . ?
C14 C15 C34 C33 4.3(9) . . . . ?
C16 C15 C34 C35 -4.9(8) . . . . ?
C14 C15 C34 C35 146.1(6) . . . . ?
C32 C33 C34 C15 -2.4(10) . . . . ?
C50 C33 C34 C15 141.9(6) . . . . ?
C32 C33 C34 C35 -148.3(6) . . . . ?
C50 C33 C34 C35 -4.0(6) . . . . ?
C15 C34 C35 C36 0.7(9) . . . . ?
C33 C34 C35 C36 147.2(6) . . . . ?
C15 C34 C35 C51 -142.3(6) . . . . ?
C33 C34 C35 C51 4.1(7) . . . . ?
C51 C35 C36 C17 140.5(6) . . . . ?
C34 C35 C36 C17 2.4(9) . . . . ?
C51 C35 C36 C37 1.5(9) . . . . ?
C34 C35 C36 C37 -136.6(6) . . . . ?
C16 C17 C36 C35 -1.4(9) . . . . ?
C18 C17 C36 C35 -146.2(6) . . . . ?
C16 C17 C36 C37 142.3(6) . . . . ?
C18 C17 C36 C37 -2.5(7) . . . . ?
C35 C36 C37 C53 1.3(9) . . . . ?
C17 C36 C37 C53 -141.9(6) . . . . ?
C35 C36 C37 C38 143.3(6) . . . . ?
C17 C36 C37 C38 0.1(7) . . . . ?
C53 C37 C38 C39 2.0(10) . . . . ?
C36 C37 C38 C39 -139.0(6) . . . . ?
C53 C37 C38 C18 143.4(6) . . . . ?
C36 C37 C38 C18 2.4(7) . . . . ?
C19 C18 C38 C39 -6.5(10) . . . . ?
C17 C18 C38 C39 138.2(6) . . . . ?
C19 C18 C38 C37 -148.7(6) . . . . ?
C17 C18 C38 C37 -4.0(7) . . . . ?
C37 C38 C39 C40 0.0(9) . . . . ?
C18 C38 C39 C40 -138.1(6) . . . . ?
C37 C38 C39 C21 136.9(6) . . . . ?
C18 C38 C39 C21 -1.1(9) . . . . ?
C20 C21 C39 C38 5.7(10) . . . . ?
C22 C21 C39 C38 -138.2(6) . . . . ?
C20 C21 C39 C40 146.7(6) . . . . ?
C22 C21 C39 C40 2.8(7) . . . . ?
C38 C39 C40 C54 -2.0(9) . . . . ?
C21 C39 C40 C54 -142.9(6) . . . . ?
C38 C39 C40 C41 139.7(6) . . . . ?
C21 C39 C40 C41 -1.2(7) . . . . ?
C23 C22 C41 C42 -1.5(9) . . . . ?
C21 C22 C41 C42 145.8(6) . . . . ?
C23 C22 C41 C40 -144.7(6) . . . . ?
C21 C22 C41 C40 2.6(7) . . . . ?
C54 C40 C41 C42 -1.2(10) . . . . ?
C39 C40 C41 C42 -143.8(6) . . . . ?
C54 C40 C41 C22 141.7(6) . . . . ?
C39 C40 C41 C22 -0.9(7) . . . . ?
C22 C41 C42 C56 -140.2(6) . . . . ?
C40 C41 C42 C56 -1.4(10) . . . . ?
C22 C41 C42 C43 -0.7(9) . . . . ?
C40 C41 C42 C43 138.1(6) . . . . ?
C23 C24 C43 C44 146.8(6) . . . . ?
C25 C24 C43 C44 -5.3(8) . . . . ?
C23 C24 C43 C42 5.0(9) . . . . ?
C25 C24 C43 C42 -147.1(6) . . . . ?
C41 C42 C43 C24 -1.2(9) . . . . ?
C56 C42 C43 C24 142.7(6) . . . . ?
C41 C42 C43 C44 -148.3(6) . . . . ?
C56 C42 C43 C44 -4.4(7) . . . . ?
C24 C43 C44 C45 1.2(9) . . . . ?
C42 C43 C44 C45 148.2(5) . . . . ?
C24 C43 C44 C57 -142.5(6) . . . . ?
C42 C43 C44 C57 4.4(7) . . . . ?
C43 C44 C45 C26 2.2(8) . . . . ?
C57 C44 C45 C26 142.1(6) . . . . ?
C43 C44 C45 C46 -137.7(6) . . . . ?
C57 C44 C45 C46 2.2(9) . . . . ?
C25 C26 C45 C44 -1.5(9) . . . . ?
C27 C26 C45 C44 -147.3(5) . . . . ?
C25 C26 C45 C46 142.6(6) . . . . ?
C27 C26 C45 C46 -3.2(7) . . . . ?
C44 C45 C46 C47 0.9(9) . . . . ?
C26 C45 C46 C47 -142.4(6) . . . . ?
C44 C45 C46 C29 143.3(6) . . . . ?
C26 C45 C46 C29 0.0(7) . . . . ?
C30 C29 C46 C47 3.1(9) . . . . ?
C27 C29 C46 C47 145.4(6) . . . . ?
C30 C29 C46 C45 -139.2(6) . . . . ?
C27 C29 C46 C45 3.1(6) . . . . ?
C45 C46 C47 C58 -2.2(9) . . . . ?
C29 C46 C47 C58 -139.7(6) . . . . ?
C45 C46 C47 C48 134.2(7) . . . . ?
C29 C46 C47 C48 -3.3(10) . . . . ?
C30 C31 C48 C49 139.9(6) . . . . ?
C32 C31 C48 C49 1.5(9) . . . . ?
C30 C31 C48 C47 3.8(10) . . . . ?
C32 C31 C48 C47 -134.5(6) . . . . ?
C46 C47 C48 C31 -0.1(10) . . . . ?
C58 C47 C48 C31 141.0(6) . . . . ?
C46 C47 C48 C49 -141.2(6) . . . . ?
C58 C47 C48 C49 -0.1(7) . . . . ?
C31 C48 C49 C50 0.6(9) . . . . ?
C47 C48 C49 C50 140.8(6) . . . . ?
C31 C48 C49 C59 -141.5(6) . . . . ?
C47 C48 C49 C59 -1.3(7) . . . . ?
C48 C49 C50 C51 -141.0(6) . . . . ?
C59 C49 C50 C51 -2.5(9) . . . . ?
C48 C49 C50 C33 -3.3(9) . . . . ?
C59 C49 C50 C33 135.2(6) . . . . ?
C32 C33 C50 C49 3.9(9) . . . . ?
C34 C33 C50 C49 -140.2(6) . . . . ?
C32 C33 C50 C51 146.4(6) . . . . ?
C34 C33 C50 C51 2.3(7) . . . . ?
C49 C50 C51 C52 0.8(9) . . . . ?
C33 C50 C51 C52 -140.8(6) . . . . ?
C49 C50 C51 C35 142.0(6) . . . . ?
C33 C50 C51 C35 0.3(7) . . . . ?
C36 C35 C51 C52 -3.0(9) . . . . ?
C34 C35 C51 C52 139.7(6) . . . . ?
C36 C35 C51 C50 -145.5(6) . . . . ?
C34 C35 C51 C50 -2.7(7) . . . . ?
C50 C51 C52 C53 139.3(6) . . . . ?
C35 C51 C52 C53 1.8(9) . . . . ?
C50 C51 C52 C60 1.2(9) . . . . ?
C35 C51 C52 C60 -136.3(6) . . . . ?
C38 C37 C53 C52 -139.0(6) . . . . ?
C36 C37 C53 C52 -2.5(8) . . . . ?
C38 C37 C53 C54 -2.0(9) . . . . ?
C36 C37 C53 C54 134.5(6) . . . . ?
C51 C52 C53 C37 1.0(9) . . . . ?
C60 C52 C53 C37 142.6(6) . . . . ?
C51 C52 C53 C54 -140.3(6) . . . . ?
C60 C52 C53 C54 1.4(7) . . . . ?
C39 C40 C54 C55 139.6(7) . . . . ?
C41 C40 C54 C55 2.5(10) . . . . ?
C39 C40 C54 C53 2.0(10) . . . . ?
C41 C40 C54 C53 -135.1(6) . . . . ?
C37 C53 C54 C40 0.0(9) . . . . ?
C52 C53 C54 C40 141.8(6) . . . . ?
C37 C53 C54 C55 -142.0(6) . . . . ?
C52 C53 C54 C55 -0.2(7) . . . . ?
C40 C54 C55 C56 -1.1(10) . . . . ?
C53 C54 C55 C56 140.5(6) . . . . ?
C40 C54 C55 C60 -142.7(6) . . . . ?
C53 C54 C55 C60 -1.0(7) . . . . ?
C54 C55 C56 C57 -140.0(7) . . . . ?
C60 C55 C56 C57 -2.5(9) . . . . ?
C54 C55 C56 C42 -1.4(10) . . . . ?
C60 C55 C56 C42 136.2(7) . . . . ?
C41 C42 C56 C55 2.7(10) . . . . ?
C43 C42 C56 C55 -140.7(6) . . . . ?
C41 C42 C56 C57 146.2(6) . . . . ?
C43 C42 C56 C57 2.8(7) . . . . ?
C55 C56 C57 C58 0.4(10) . . . . ?
C42 C56 C57 C58 -141.9(6) . . . . ?
C55 C56 C57 C44 142.3(6) . . . . ?
C42 C56 C57 C44 0.0(7) . . . . ?
C45 C44 C57 C58 -4.1(9) . . . . ?
C43 C44 C57 C58 139.5(6) . . . . ?
C45 C44 C57 C56 -146.4(6) . . . . ?
C43 C44 C57 C56 -2.8(7) . . . . ?
C56 C57 C58 C59 1.6(9) . . . . ?
C44 C57 C58 C59 -136.0(6) . . . . ?
C56 C57 C58 C47 140.5(6) . . . . ?
C44 C57 C58 C47 2.9(9) . . . . ?
C46 C47 C58 C57 0.2(9) . . . . ?
C48 C47 C58 C57 -141.0(6) . . . . ?
C46 C47 C58 C59 142.8(6) . . . . ?
C48 C47 C58 C59 1.5(7) . . . . ?
C57 C58 C59 C60 -1.5(9) . . . . ?
C47 C58 C59 C60 -144.5(6) . . . . ?
C57 C58 C59 C49 140.7(6) . . . . ?
C47 C58 C59 C49 -2.3(7) . . . . ?
C50 C49 C59 C60 2.1(9) . . . . ?
C48 C49 C59 C60 145.0(6) . . . . ?
C50 C49 C59 C58 -140.6(6) . . . . ?
C48 C49 C59 C58 2.3(7) . . . . ?
C58 C59 C60 C52 137.4(6) . . . . ?
C49 C59 C60 C52 0.0(9) . . . . ?
C58 C59 C60 C55 -0.5(9) . . . . ?
C49 C59 C60 C55 -138.0(6) . . . . ?
C51 C52 C60 C59 -1.6(9) . . . . ?
C53 C52 C60 C59 -144.4(6) . . . . ?
C51 C52 C60 C55 140.8(6) . . . . ?
C53 C52 C60 C55 -2.0(7) . . . . ?
C56 C55 C60 C59 2.5(9) . . . . ?
C54 C55 C60 C59 145.0(6) . . . . ?
C56 C55 C60 C52 -140.7(6) . . . . ?
C54 C55 C60 C52 1.8(7) . . . . ?
C3 C2 C61 C64 -129.3(6) . . . . ?
C16 C2 C61 C64 61.7(7) . . . . ?
C3 C2 C61 C62 -12.3(7) . . . . ?
C16 C2 C61 C62 178.7(5) . . . . ?
C3 C2 C61 C1 111.8(6) . . . . ?
C16 C2 C61 C1 -57.3(6) . . . . ?
C10 C1 C61 C2 -105.8(7) . . . . ?
C14 C1 C61 C2 59.2(6) . . . . ?
C10 C1 C61 C64 136.4(6) . . . . ?
C14 C1 C61 C64 -58.6(7) . . . . ?
C10 C1 C61 C62 16.0(9) . . . . ?
C14 C1 C61 C62 -179.0(5) . . . . ?
C63 N1 C62 C70 172.8(5) . . . . ?
C63 N1 C62 C61 2.6(8) . . . . ?
C2 C61 C62 N1 7.1(8) . . . . ?
C64 C61 C62 N1 126.4(6) . . . . ?
C1 C61 C62 N1 -110.2(6) . . . . ?
C2 C61 C62 C70 -163.2(5) . . . . ?
C64 C61 C62 C70 -43.9(6) . . . . ?
C1 C61 C62 C70 79.5(6) . . . . ?
C62 N1 C63 C3 -7.1(8) . . . . ?
C62 N1 C63 C76 -128.3(5) . . . . ?
C62 N1 C63 C4 117.2(6) . . . . ?
C2 C3 C63 N1 1.4(8) . . . . ?
C19 C3 C63 N1 170.5(5) . . . . ?
C2 C3 C63 C76 120.8(6) . . . . ?
C19 C3 C63 C76 -70.0(6) . . . . ?
C2 C3 C63 C4 -121.5(6) . . . . ?
C19 C3 C63 C4 47.7(7) . . . . ?
O1 C4 C63 N1 37.8(8) . . . . ?
C5 C4 C63 N1 -140.0(5) . . . . ?
O1 C4 C63 C3 164.8(6) . . . . ?
C5 C4 C63 C3 -13.0(7) . . . . ?
O1 C4 C63 C76 -76.1(7) . . . . ?
C5 C4 C63 C76 106.1(6) . . . . ?
C2 C61 C64 C69 -141.4(6) . . . . ?
C62 C61 C64 C69 98.1(7) . . . . ?
C1 C61 C64 C69 -27.6(8) . . . . ?
C2 C61 C64 C65 41.2(7) . . . . ?
C62 C61 C64 C65 -79.4(6) . . . . ?
C1 C61 C64 C65 155.0(5) . . . . ?
C69 C64 C65 C66 2.3(9) . . . . ?
C61 C64 C65 C66 179.9(6) . . . . ?
C64 C65 C66 C67 -1.5(10) . . . . ?
C65 C66 C67 C68 -1.2(10) . . . . ?
C66 C67 C68 C69 3.1(11) . . . . ?
C65 C64 C69 C68 -0.5(10) . . . . ?
C61 C64 C69 C68 -177.9(6) . . . . ?
C67 C68 C69 C64 -2.2(11) . . . . ?
N1 C62 C70 C71 -53.0(8) . . . . ?
C61 C62 C70 C71 118.1(6) . . . . ?
N1 C62 C70 C75 133.7(6) . . . . ?
C61 C62 C70 C75 -55.1(8) . . . . ?
C75 C70 C71 C72 3.8(10) . . . . ?
C62 C70 C71 C72 -169.8(6) . . . . ?
C70 C71 C72 C73 -2.5(11) . . . . ?
C71 C72 C73 C74 -1.2(11) . . . . ?
C72 C73 C74 C75 3.4(11) . . . . ?
C73 C74 C75 C70 -2.0(10) . . . . ?
C71 C70 C75 C74 -1.6(10) . . . . ?
C62 C70 C75 C74 171.7(6) . . . . ?
C80 N2 C76 C77 1.2(9) . . . . ?
C80 N2 C76 C63 -178.2(5) . . . . ?
N1 C63 C76 N2 -169.0(5) . . . . ?
C3 C63 C76 N2 66.2(7) . . . . ?
C4 C63 C76 N2 -53.9(7) . . . . ?
N1 C63 C76 C77 11.6(8) . . . . ?
C3 C63 C76 C77 -113.2(7) . . . . ?
C4 C63 C76 C77 126.8(6) . . . . ?
N2 C76 C77 C78 -1.7(10) . . . . ?
C63 C76 C77 C78 177.6(6) . . . . ?
C76 C77 C78 C79 1.5(11) . . . . ?
C77 C78 C79 C80 -0.9(11) . . . . ?
C76 N2 C80 C79 -0.5(10) . . . . ?
C78 C79 C80 N2 0.4(11) . . . . ?
C93 P1 C81 C86 27.9(6) . . . . ?
C87 P1 C81 C86 137.4(5) . . . . ?
Pt1 P1 C81 C86 -103.2(5) . . . . ?
C93 P1 C81 C82 -156.8(5) . . . . ?
C87 P1 C81 C82 -47.3(5) . . . . ?
Pt1 P1 C81 C82 72.1(5) . . . . ?
C86 C81 C82 C83 2.4(9) . . . . ?
P1 C81 C82 C83 -173.2(5) . . . . ?
C81 C82 C83 C84 -0.8(9) . . . . ?
C82 C83 C84 C85 -1.6(10) . . . . ?
C83 C84 C85 C86 2.3(10) . . . . ?
C82 C81 C86 C85 -1.6(9) . . . . ?
P1 C81 C86 C85 173.6(5) . . . . ?
C84 C85 C86 C81 -0.6(10) . . . . ?
C93 P1 C87 C88 -126.0(6) . . . . ?
C81 P1 C87 C88 127.2(6) . . . . ?
Pt1 P1 C87 C88 6.6(6) . . . . ?
C93 P1 C87 C92 59.7(6) . . . . ?
C81 P1 C87 C92 -47.0(6) . . . . ?
Pt1 P1 C87 C92 -167.6(4) . . . . ?
C92 C87 C88 C89 1.6(12) . . . . ?
P1 C87 C88 C89 -172.8(7) . . . . ?
C87 C88 C89 C90 -3.0(15) . . . . ?
C88 C89 C90 C91 1.3(15) . . . . ?
C89 C90 C91 C92 1.8(13) . . . . ?
C90 C91 C92 C87 -3.2(11) . . . . ?
C88 C87 C92 C91 1.5(10) . . . . ?
P1 C87 C92 C91 175.8(5) . . . . ?
C87 P1 C93 C94 -4.0(7) . . . . ?
C81 P1 C93 C94 100.8(6) . . . . ?
Pt1 P1 C93 C94 -132.0(5) . . . . ?
C87 P1 C93 C98 173.5(5) . . . . ?
C81 P1 C93 C98 -81.7(6) . . . . ?
Pt1 P1 C93 C98 45.5(6) . . . . ?
C98 C93 C94 C95 0.7(10) . . . . ?
P1 C93 C94 C95 178.2(5) . . . . ?
C93 C94 C95 C96 -0.4(11) . . . . ?
C94 C95 C96 C97 1.2(12) . . . . ?
C95 C96 C97 C98 -2.3(11) . . . . ?
C94 C93 C98 C97 -1.8(10) . . . . ?
P1 C93 C98 C97 -179.4(5) . . . . ?
C96 C97 C98 C93 2.5(11) . . . . ?
C105 P2 C99 C100 98.5(5) . . . . ?
C111 P2 C99 C100 -152.1(5) . . . . ?
Pt1 P2 C99 C100 -23.0(6) . . . . ?
C105 P2 C99 C104 -76.1(6) . . . . ?
C111 P2 C99 C104 33.3(7) . . . . ?
Pt1 P2 C99 C104 162.4(5) . . . . ?
C104 C99 C100 C101 0.3(10) . . . . ?
P2 C99 C100 C101 -174.5(5) . . . . ?
C99 C100 C101 C102 -0.2(10) . . . . ?
C100 C101 C102 C103 -0.1(11) . . . . ?
C101 C102 C103 C104 0.2(12) . . . . ?
C102 C103 C104 C99 -0.1(12) . . . . ?
C100 C99 C104 C103 -0.2(11) . . . . ?
P2 C99 C104 C103 174.3(6) . . . . ?
C99 P2 C105 C110 -175.3(5) . . . . ?
C111 P2 C105 C110 74.6(5) . . . . ?
Pt1 P2 C105 C110 -52.8(5) . . . . ?
C99 P2 C105 C106 1.2(6) . . . . ?
C111 P2 C105 C106 -108.9(5) . . . . ?
Pt1 P2 C105 C106 123.6(5) . . . . ?
C110 C105 C106 C107 2.1(10) . . . . ?
P2 C105 C106 C107 -174.4(5) . . . . ?
C105 C106 C107 C108 -2.1(11) . . . . ?
C106 C107 C108 C109 1.0(11) . . . . ?
C107 C108 C109 C110 0.1(10) . . . . ?
C106 C105 C110 C109 -1.0(9) . . . . ?
P2 C105 C110 C109 175.6(5) . . . . ?
C108 C109 C110 C105 -0.1(9) . . . . ?
C99 P2 C111 C116 -146.9(6) . . . . ?
C105 P2 C111 C116 -38.6(7) . . . . ?
Pt1 P2 C111 C116 85.8(6) . . . . ?
C99 P2 C111 C112 38.6(6) . . . . ?
C105 P2 C111 C112 146.9(5) . . . . ?
Pt1 P2 C111 C112 -88.6(5) . . . . ?
C116 C111 C112 C113 -0.3(10) . . . . ?
P2 C111 C112 C113 174.4(5) . . . . ?
C111 C112 C113 C114 0.8(10) . . . . ?
C112 C113 C114 C115 -0.3(11) . . . . ?
C113 C114 C115 C116 -0.8(12) . . . . ?
C112 C111 C116 C115 -0.8(11) . . . . ?
P2 C111 C116 C115 -175.3(6) . . . . ?
C114 C115 C116 C111 1.3(12) . . . . ?
C6_1 C1_1 C2_1 C3_1 -1.8(12) . . . . ?
C1_1 C2_1 C3_1 C4_1 3.2(13) . . . . ?
C2_1 C3_1 C4_1 C5_1 -1.9(13) . . . . ?
C3_1 C4_1 C5_1 C6_1 -0.7(12) . . . . ?
C2_1 C1_1 C6_1 C5_1 -0.9(12) . . . . ?
C4_1 C5_1 C6_1 C1_1 2.1(12) . . . . ?
C6_2 C1_2 C2_2 C3_2 -0.3(16) . . . . ?
C1_2 C2_2 C3_2 C4_2 0.0(14) . . . . ?
C2_2 C3_2 C4_2 C5_2 -2.0(13) . . . . ?
C3_2 C4_2 C5_2 C6_2 4.4(14) . . . . ?
C4_2 C5_2 C6_2 C1_2 -4.7(16) . . . . ?
C2_2 C1_2 C6_2 C5_2 2.6(17) . . . . ?
C6_3 C1_3 C2_3 C3_3 -2(2) . . . . ?
C1_3 C2_3 C3_3 C4_3 3(2) . . . . ?
C2_3 C3_3 C4_3 C5_3 -8(4) . . . . ?
C3_3 C4_3 C5_3 C6_3 13(5) . . . . ?
C4_3 C5_3 C6_3 C1_3 -12(6) . . . . ?
C2_3 C1_3 C6_3 C5_3 6(4) . . . . ?
C6_4 C1_4 C2_4 C3_4 0.1(19) . . . . ?
C1_4 C2_4 C3_4 C4_4 1(2) . . . . ?
C2_4 C3_4 C4_4 C5_4 -1(4) . . . . ?
C3_4 C4_4 C5_4 C6_4 1(5) . . . . ?
C2_4 C1_4 C6_4 C5_4 0(4) . . . . ?
C4_4 C5_4 C6_4 C1_4 0(5) . . . . ?

_refine_diff_density_max         3.672
_refine_diff_density_min         -1.673
_refine_diff_density_rms         0.187

# start Validation Reply Form
_vrf_PLAT971_sg05a               
;
PROBLEM: Check Calcd Resid. Dens. 0.84A From Pt1 3.92 eA-3
RESPONSE: This is likely due to a minor amount of twinning
that could not be resolved.
;
# end Validation Reply Form


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: benzene/pentane'
