#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:33:33 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179251 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/71/4317103.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4317103
loop_
_publ_author_name
'Yao-Rong Zheng'
'Zhigang Zhao'
'Hyunuk Kim'
'Ming Wang'
'Koushik Ghosh'
'J. Bryant Pollock'
'Ki-Whan Chi'
'Peter J. Stang'
_publ_section_title
;
 Coordination-Driven Self-Assembly of Truncated Tetrahedra Capable of
 Encapsulating 1,3,5-Triphenylbenzene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10238
_journal_page_last               10240
_journal_paper_doi               10.1021/ic1018373
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C108 H138 F36 N6 P12 Pt3'
_chemical_formula_weight         3161.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           114
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.987(5)
_cell_length_b                   32.987(5)
_cell_length_c                   31.918(6)
_cell_measurement_reflns_used    1.56
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      23131
_cell_measurement_theta_min      30.37
_cell_volume                     34731(10)
_computing_cell_refinement       HKL2000
_computing_data_collection       'ADSC Quantum-210 ADX Program'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Materials Studio 5.0'
_computing_publication_material  'Materials Studio 5.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  'Si(111) double crystal monochromator'
_diffrn_radiation_source         'bending magnet 6B MX beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.90000
_diffrn_reflns_av_R_equivalents  0.0674
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            154346
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.37
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    4.137
_exptl_absorpt_correction_T_max  0.3024
_exptl_absorpt_correction_T_min  0.2754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   HKL2000
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             12528
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.38
_refine_diff_density_max         2.491
_refine_diff_density_min         -1.069
_refine_diff_density_rms         0.197
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.015(6)
_refine_ls_extinction_coef       0.00123(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1487
_refine_ls_number_reflns         23131
_refine_ls_number_restraints     3157
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_gt           0.0841
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1794P)²+44.2231P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2244
_refine_ls_wR_factor_ref         0.2396
_reflns_number_gt                19314
_reflns_number_total             23131
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1018373_si_001.cif
_cod_data_source_block           p-421c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        34730(10)
_cod_database_code               4317103
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.179959(15) -0.249469(18) -0.354572(18) 0.0708(2) Uani 1 1 d U . .
Pt2 Pt -0.33512(2) -0.466767(18) -0.10950(2) 0.0876(3) Uani 1 1 d U . .
Pt3 Pt -0.895791(18) -0.36608(3) -0.36789(3) 0.1012(3) Uani 1 1 d DU . .
N1 N -0.3713(4) -0.4363(3) -0.1538(3) 0.072(2) Uani 1 1 d U . .
N2 N -0.8352(3) -0.3483(4) -0.3629(4) 0.086(3) Uani 1 1 d U . .
N3 N -0.2418(3) -0.2576(4) -0.3559(3) 0.079(2) Uani 1 1 d U . .
N4 N -0.7101(4) -0.1836(3) -0.5943(3) 0.076(3) Uani 1 1 d U . .
N5 N -0.6538(3) -0.4853(3) -0.1504(4) 0.081(3) Uani 1 1 d U . .
N6 N -0.3980(5) -0.1290(4) -0.5820(5) 0.103(4) Uani 1 1 d U . .
C1 C -0.4663(4) -0.4040(4) -0.2745(4) 0.072(3) Uani 1 1 d U . .
H1A H -0.4667 -0.4327 -0.2715 0.087 Uiso 1 1 calc R . .
C2 C -0.4425(4) -0.3814(4) -0.2469(4) 0.072(3) Uani 1 1 d U . .
C3 C -0.4170(4) -0.4003(4) -0.2146(4) 0.068(3) Uani 1 1 d U . .
C4 C -0.4435(4) -0.3390(4) -0.2516(4) 0.073(3) Uani 1 1 d U . .
H4B H -0.4277 -0.3224 -0.2336 0.088 Uiso 1 1 calc R . .
C5 C -0.4893(4) -0.3863(4) -0.3059(4) 0.076(3) Uani 1 1 d U . .
H5B H -0.5046 -0.4025 -0.3248 0.091 Uiso 1 1 calc R . .
C6 C -0.4894(4) -0.3451(4) -0.3092(4) 0.070(3) Uani 1 1 d U . .
C7 C -0.4674(4) -0.3213(4) -0.2826(4) 0.073(3) Uani 1 1 d U . .
H7A H -0.4684 -0.2927 -0.2851 0.087 Uiso 1 1 calc R . .
C8 C -0.5152(4) -0.3244(4) -0.3421(4) 0.073(3) Uani 1 1 d U . .
C9 C -0.5705(4) -0.3490(4) -0.2700(4) 0.068(3) Uani 1 1 d U . .
H9A H -0.5560 -0.3251 -0.2627 0.081 Uiso 1 1 calc R . .
C10 C -0.5762(3) -0.3570(5) -0.3117(4) 0.072(3) Uani 1 1 d U . .
C11 C -0.6070(4) -0.4093(4) -0.2485(4) 0.067(3) Uani 1 1 d U . .
C12 C -0.6220(4) -0.4338(4) -0.2140(4) 0.069(3) Uani 1 1 d U . .
C13 C -0.6135(4) -0.4174(5) -0.2887(4) 0.080(3) Uani 1 1 d U . .
H13A H -0.6296 -0.4402 -0.2960 0.096 Uiso 1 1 calc R . .
C14 C -0.5971(4) -0.3926(5) -0.3210(5) 0.086(3) Uani 1 1 d U . .
H14A H -0.6004 -0.4005 -0.3495 0.103 Uiso 1 1 calc R . .
C15 C -0.5560(3) -0.3318(4) -0.3440(4) 0.068(3) Uani 1 1 d U . .
C16 C -0.4971(4) -0.3001(4) -0.3736(4) 0.074(3) Uani 1 1 d U . .
C17 C -0.3766(4) -0.3935(5) -0.2123(4) 0.079(3) Uani 1 1 d U . .
H17A H -0.3634 -0.3767 -0.2323 0.095 Uiso 1 1 calc R . .
C18 C -0.4110(5) -0.4439(5) -0.1554(4) 0.084(3) Uani 1 1 d U . .
H18A H -0.4230 -0.4618 -0.1356 0.101 Uiso 1 1 calc R . .
C19 C -0.4349(4) -0.4255(4) -0.1860(4) 0.076(3) Uani 1 1 d U . .
H19A H -0.4633 -0.4303 -0.1871 0.091 Uiso 1 1 calc R . .
C20 C -0.3549(4) -0.4116(4) -0.1803(4) 0.072(3) Uani 1 1 d U . .
H20A H -0.3269 -0.4056 -0.1776 0.087 Uiso 1 1 calc R . .
C21 C -0.5859(4) -0.2673(4) -0.4379(4) 0.075(3) Uani 1 1 d U . .
C22 C -0.5193(4) -0.2813(4) -0.4043(4) 0.073(3) Uani 1 1 d U . .
C23 C -0.5799(4) -0.3120(4) -0.3762(4) 0.069(3) Uani 1 1 d U . .
C24 C -0.4485(7) -0.2423(6) -0.4883(6) 0.122(6) Uani 1 1 d U . .
H24A H -0.4262 -0.2524 -0.5039 0.146 Uiso 1 1 calc R . .
C25 C -0.4590(5) -0.2018(5) -0.4926(5) 0.089(4) Uani 1 1 d U . .
C26 C -0.4849(6) -0.1873(5) -0.4632(5) 0.108(5) Uani 1 1 d U . .
H26A H -0.4897 -0.1590 -0.4616 0.130 Uiso 1 1 calc R . .
C27 C -0.5047(6) -0.2131(5) -0.4353(5) 0.094(4) Uani 1 1 d U . .
H27A H -0.5230 -0.2017 -0.4156 0.113 Uiso 1 1 calc R . .
C28 C -0.4991(4) -0.2531(4) -0.4351(4) 0.071(3) Uani 1 1 d U . .
C29 C -0.4697(6) -0.2692(6) -0.4615(6) 0.115(5) Uani 1 1 d U . .
H29A H -0.4639 -0.2974 -0.4615 0.138 Uiso 1 1 calc R . .
C30 C -0.4513(4) -0.2929(5) -0.3728(4) 0.074(3) Uani 1 1 d U . .
C31 C -0.4245(4) -0.3256(5) -0.3743(4) 0.081(3) Uani 1 1 d U . .
H31A H -0.4344 -0.3524 -0.3783 0.097 Uiso 1 1 calc R . .
C32 C -0.4376(4) -0.2527(5) -0.3661(5) 0.088(3) Uani 1 1 d U . .
H32A H -0.4562 -0.2310 -0.3632 0.106 Uiso 1 1 calc R . .
C33 C -0.3949(4) -0.2461(5) -0.3639(4) 0.082(3) Uani 1 1 d U . .
H33A H -0.3845 -0.2194 -0.3613 0.098 Uiso 1 1 calc R . .
C34 C -0.3835(4) -0.3187(5) -0.3700(4) 0.079(3) Uani 1 1 d U . .
H34A H -0.3651 -0.3408 -0.3700 0.095 Uiso 1 1 calc R . .
C35 C -0.3690(4) -0.2788(5) -0.3656(4) 0.075(3) Uani 1 1 d U . .
C36 C -0.5615(4) -0.2881(4) -0.4054(4) 0.070(3) Uani 1 1 d U . .
C37 C -0.6242(4) -0.3181(5) -0.3772(4) 0.072(3) Uani 1 1 d U . .
C38 C -0.6841(4) -0.3548(6) -0.3948(5) 0.093(4) Uani 1 1 d U . .
H38A H -0.6965 -0.3773 -0.4084 0.111 Uiso 1 1 calc R . .
C39 C -0.6427(4) -0.3507(5) -0.3964(5) 0.090(4) Uani 1 1 d U . .
H39A H -0.6268 -0.3703 -0.4106 0.107 Uiso 1 1 calc R . .
C40 C -0.6909(4) -0.2942(5) -0.3534(5) 0.085(3) Uani 1 1 d U . .
H40A H -0.7073 -0.2753 -0.3386 0.102 Uiso 1 1 calc R . .
C41 C -0.7086(4) -0.3266(5) -0.3738(4) 0.079(3) Uani 1 1 d U . .
C42 C -0.7527(4) -0.3333(5) -0.3697(4) 0.082(3) Uani 1 1 d U . .
C43 C -0.6037(4) -0.4377(4) -0.1771(4) 0.074(3) Uani 1 1 d U . .
H43A H -0.5793 -0.4232 -0.1720 0.089 Uiso 1 1 calc R . .
C44 C -0.6594(5) -0.4569(5) -0.2190(5) 0.088(3) Uani 1 1 d U . .
H44A H -0.6744 -0.4555 -0.2443 0.106 Uiso 1 1 calc R . .
C45 C -0.7658(4) -0.3713(6) -0.3536(5) 0.097(4) Uani 1 1 d U . .
H45A H -0.7471 -0.3919 -0.3458 0.116 Uiso 1 1 calc R . .
C46 C -0.8093(5) -0.3770(6) -0.3495(6) 0.105(4) Uani 1 1 d U . .
H46A H -0.8195 -0.4012 -0.3372 0.126 Uiso 1 1 calc R . .
C47 C -0.8210(4) -0.3127(6) -0.3755(5) 0.098(4) Uani 1 1 d U . .
H47A H -0.8403 -0.2919 -0.3805 0.117 Uiso 1 1 calc R . .
C48 C -0.2651(4) -0.2334(5) -0.3790(5) 0.084(3) Uani 1 1 d U . .
H48A H -0.2530 -0.2111 -0.3933 0.101 Uiso 1 1 calc R . .
C49 C -0.3240(4) -0.2718(4) -0.3608(4) 0.071(3) Uani 1 1 d U . .
C50 C -0.3016(4) -0.2952(5) -0.3362(4) 0.073(3) Uani 1 1 d U . .
H50A H -0.3135 -0.3165 -0.3205 0.088 Uiso 1 1 calc R . .
C51 C -0.6712(4) -0.1894(4) -0.6030(4) 0.077(3) Uani 1 1 d U . .
H51A H -0.6619 -0.1843 -0.6307 0.093 Uiso 1 1 calc R . .
C52 C -0.7247(5) -0.1899(5) -0.5568(4) 0.086(4) Uani 1 1 d U . .
H52A H -0.7527 -0.1853 -0.5517 0.104 Uiso 1 1 calc R . .
C53 C -0.6435(5) -0.2027(5) -0.5734(5) 0.084(3) Uani 1 1 d U . .
H53 H -0.6154 -0.2053 -0.5795 0.101 Uiso 1 1 calc R . .
C54 C -0.6603(4) -0.2123(4) -0.5320(4) 0.078(3) Uani 1 1 d U . .
C55 C -0.6324(4) -0.2289(5) -0.4995(5) 0.083(3) Uani 1 1 d U . .
C56 C -0.6197(4) -0.4626(4) -0.1455(4) 0.078(3) Uani 1 1 d U . .
H56A H -0.6060 -0.4637 -0.1194 0.094 Uiso 1 1 calc R . .
C57 C -0.6487(4) -0.2892(5) -0.3545(5) 0.084(3) Uani 1 1 d U . .
H57A H -0.6364 -0.2671 -0.3405 0.101 Uiso 1 1 calc R . .
C58 C -0.7820(4) -0.3033(5) -0.3819(5) 0.093(4) Uani 1 1 d U . .
H58A H -0.7741 -0.2781 -0.3938 0.111 Uiso 1 1 calc R . .
C59 C -0.2586(4) -0.2874(5) -0.3338(5) 0.080(3) Uani 1 1 d U . .
H59A H -0.2421 -0.3038 -0.3162 0.096 Uiso 1 1 calc R . .
C60 C -0.4387(5) -0.1777(6) -0.5232(6) 0.099(4) Uani 1 1 d U . .
C61 C -0.3990(7) -0.1668(7) -0.5170(6) 0.122(5) Uani 1 1 d U . .
H61 H -0.3856 -0.1744 -0.4918 0.147 Uiso 1 1 calc R . .
C62 C -0.5845(5) -0.2803(6) -0.4787(5) 0.096(4) Uani 1 1 d U . .
H62A H -0.5684 -0.3031 -0.4858 0.115 Uiso 1 1 calc R . .
C63 C -0.6113(5) -0.2332(5) -0.4278(5) 0.090(4) Uani 1 1 d U . .
H63A H -0.6118 -0.2230 -0.4000 0.108 Uiso 1 1 calc R . .
C64 C -0.7002(5) -0.2032(5) -0.5244(4) 0.085(3) Uani 1 1 d U . .
H64A H -0.7109 -0.2059 -0.4969 0.102 Uiso 1 1 calc R . .
C65 C -0.6062(5) -0.2607(5) -0.5096(5) 0.093(4) Uani 1 1 d U . .
H65A H -0.6034 -0.2690 -0.5380 0.111 Uiso 1 1 calc R . .
C66 C -0.5845(4) -0.3733(4) -0.2380(4) 0.063(2) Uani 1 1 d U . .
H66A H -0.5793 -0.3665 -0.2096 0.076 Uiso 1 1 calc R . .
C67 C -0.3078(4) -0.2399(5) -0.3829(5) 0.085(4) Uani 1 1 d U . .
H67A H -0.3242 -0.2230 -0.4000 0.102 Uiso 1 1 calc R . .
C68 C -0.6726(4) -0.4810(4) -0.1862(5) 0.082(3) Uani 1 1 d U . .
H68A H -0.6972 -0.4955 -0.1900 0.099 Uiso 1 1 calc R . .
C69 C -0.6351(5) -0.2150(5) -0.4582(5) 0.088(4) Uani 1 1 d U . .
H69A H -0.6529 -0.1934 -0.4511 0.106 Uiso 1 1 calc R . .
C70 C -0.4357(7) -0.1370(9) -0.5858(9) 0.158(8) Uani 1 1 d U . .
H70A H -0.4504 -0.1282 -0.6097 0.190 Uiso 1 1 calc R . .
C71 C -0.4560(8) -0.1604(9) -0.5523(8) 0.162(8) Uani 1 1 d U . .
H71A H -0.4847 -0.1622 -0.5533 0.195 Uiso 1 1 calc R . .
C72 C -0.3779(7) -0.1442(7) -0.5480(6) 0.123(5) Uani 1 1 d U . .
H72A H -0.3496 -0.1396 -0.5451 0.147 Uiso 1 1 calc R . .
P1 P -0.11152(10) -0.24861(13) -0.36282(13) 0.0874(10) Uani 1 1 d DU . .
C1P C -0.0938(6) -0.2995(4) -0.3675(6) 0.119(5) Uani 1 1 d DU . .
H1PA H -0.1081 -0.3126 -0.3911 0.143 Uiso 1 1 calc R . .
H1PB H -0.0646 -0.2988 -0.3744 0.143 Uiso 1 1 calc R . .
C2P C -0.0996(7) -0.3252(6) -0.3286(6) 0.123(5) Uani 1 1 d DU . .
H2PA H -0.0892 -0.3526 -0.3339 0.184 Uiso 1 1 calc R . .
H2PB H -0.1285 -0.3267 -0.3218 0.184 Uiso 1 1 calc R . .
H2PC H -0.0849 -0.3131 -0.3051 0.184 Uiso 1 1 calc R . .
C3P C -0.1001(5) -0.2230(6) -0.4124(5) 0.115(4) Uani 1 1 d DU . .
H3PA H -0.0703 -0.2198 -0.4144 0.138 Uiso 1 1 calc R . .
H3PB H -0.1086 -0.2409 -0.4356 0.138 Uiso 1 1 calc R . .
C4P C -0.1196(7) -0.1813(6) -0.4191(7) 0.132(6) Uani 1 1 d DU . .
H4PA H -0.1123 -0.1711 -0.4469 0.198 Uiso 1 1 calc R . .
H4PB H -0.1098 -0.1624 -0.3977 0.198 Uiso 1 1 calc R . .
H4PC H -0.1491 -0.1838 -0.4170 0.198 Uiso 1 1 calc R . .
C5P C -0.0792(3) -0.2244(6) -0.3256(5) 0.097(4) Uani 1 1 d DU . .
H5PA H -0.0866 -0.1954 -0.3241 0.117 Uiso 1 1 calc R . .
H5PB H -0.0844 -0.2364 -0.2977 0.117 Uiso 1 1 calc R . .
C6P C -0.0343(4) -0.2274(6) -0.3345(5) 0.096(4) Uani 1 1 d DU . .
H6PA H -0.0191 -0.2133 -0.3125 0.145 Uiso 1 1 calc R . .
H6PB H -0.0284 -0.2149 -0.3617 0.145 Uiso 1 1 calc R . .
H6PC H -0.0262 -0.2560 -0.3352 0.145 Uiso 1 1 calc R . .
P2 P -0.18587(10) -0.20610(11) -0.29937(11) 0.0730(8) Uani 1 1 d DU . .
C7P C -0.2385(3) -0.2005(5) -0.2821(4) 0.085(3) Uani 1 1 d DU . .
H7PA H -0.2550 -0.1911 -0.3062 0.102 Uiso 1 1 calc R . .
H7PB H -0.2489 -0.2275 -0.2737 0.102 Uiso 1 1 calc R . .
C8P C -0.2444(5) -0.1712(5) -0.2458(5) 0.097(4) Uani 1 1 d DU . .
H8PA H -0.2731 -0.1709 -0.2376 0.145 Uiso 1 1 calc R . .
H8PB H -0.2362 -0.1439 -0.2545 0.145 Uiso 1 1 calc R . .
H8PC H -0.2278 -0.1799 -0.2220 0.145 Uiso 1 1 calc R . .
C9P C -0.1719(4) -0.1544(3) -0.3121(4) 0.080(3) Uani 1 1 d DU . .
H9PA H -0.1728 -0.1381 -0.2860 0.096 Uiso 1 1 calc R . .
H9PB H -0.1435 -0.1543 -0.3221 0.096 Uiso 1 1 calc R . .
C10P C -0.1981(5) -0.1336(5) -0.3449(5) 0.101(4) Uani 1 1 d DU . .
H10A H -0.1883 -0.1059 -0.3494 0.151 Uiso 1 1 calc R . .
H10B H -0.2263 -0.1328 -0.3351 0.151 Uiso 1 1 calc R . .
H10C H -0.1967 -0.1488 -0.3712 0.151 Uiso 1 1 calc R . .
C11P C -0.1579(4) -0.2207(4) -0.2535(4) 0.082(3) Uani 1 1 d DU . .
H11A H -0.1285 -0.2192 -0.2595 0.099 Uiso 1 1 calc R . .
H11B H -0.1639 -0.2015 -0.2304 0.099 Uiso 1 1 calc R . .
C12P C -0.1688(5) -0.2640(4) -0.2395(5) 0.083(3) Uani 1 1 d DU . .
H12A H -0.1528 -0.2712 -0.2146 0.125 Uiso 1 1 calc R . .
H12B H -0.1626 -0.2831 -0.2621 0.125 Uiso 1 1 calc R . .
H12C H -0.1977 -0.2654 -0.2327 0.125 Uiso 1 1 calc R . .
P3 P -0.33548(18) -0.41080(13) -0.06765(15) 0.1104(15) Uani 1 1 d DU . .
C13P C -0.3656(6) -0.4220(9) -0.0213(5) 0.151(6) Uani 1 1 d DU . .
H13B H -0.3531 -0.4451 -0.0063 0.181 Uiso 1 1 calc R . .
H13C H -0.3648 -0.3982 -0.0023 0.181 Uiso 1 1 calc R . .
C14P C -0.4100(7) -0.4322(11) -0.0311(11) 0.199(9) Uani 1 1 d DU . .
H14B H -0.4246 -0.4375 -0.0049 0.299 Uiso 1 1 calc R . .
H14C H -0.4112 -0.4564 -0.0490 0.299 Uiso 1 1 calc R . .
H14D H -0.4227 -0.4094 -0.0457 0.299 Uiso 1 1 calc R . .
C15P C -0.3614(8) -0.3680(5) -0.0915(5) 0.129(6) Uani 1 1 d DU . .
H15A H -0.3441 -0.3579 -0.1146 0.155 Uiso 1 1 calc R . .
H15B H -0.3867 -0.3784 -0.1043 0.155 Uiso 1 1 calc R . .
C16P C -0.3726(7) -0.3321(5) -0.0644(6) 0.124(5) Uani 1 1 d DU . .
H16A H -0.3874 -0.3121 -0.0813 0.186 Uiso 1 1 calc R . .
H16B H -0.3479 -0.3196 -0.0533 0.186 Uiso 1 1 calc R . .
H16C H -0.3897 -0.3411 -0.0412 0.186 Uiso 1 1 calc R . .
C17P C -0.2888(5) -0.3907(6) -0.0486(6) 0.124(5) Uani 1 1 d DU . .
H17B H -0.2940 -0.3691 -0.0278 0.148 Uiso 1 1 calc R . .
H17C H -0.2727 -0.4123 -0.0350 0.148 Uiso 1 1 calc R . .
P4 P -0.2964(2) -0.50721(16) -0.06822(19) 0.137(2) Uani 1 1 d DU . .
C19P C -0.2601(8) -0.5323(10) -0.1018(8) 0.191(7) Uani 1 1 d DU . .
H19B H -0.2457 -0.5545 -0.0873 0.230 Uiso 1 1 calc R . .
H19C H -0.2726 -0.5425 -0.1279 0.230 Uiso 1 1 calc R . .
C18P C -0.2660(8) -0.3736(9) -0.0859(8) 0.164(8) Uani 1 1 d DU . .
H18B H -0.2404 -0.3618 -0.0764 0.247 Uiso 1 1 calc R . .
H18C H -0.2825 -0.3526 -0.0994 0.247 Uiso 1 1 calc R . .
H18D H -0.2605 -0.3954 -0.1060 0.247 Uiso 1 1 calc R . .
C20P C -0.2324(13) -0.4950(12) -0.1097(14) 0.244(11) Uani 1 1 d DU . .
H20B H -0.2095 -0.5030 -0.1275 0.365 Uiso 1 1 calc R . .
H20C H -0.2221 -0.4848 -0.0829 0.365 Uiso 1 1 calc R . .
H20D H -0.2480 -0.4736 -0.1237 0.365 Uiso 1 1 calc R . .
C21P C -0.3221(9) -0.5535(6) -0.0536(11) 0.188(7) Uani 1 1 d DU . .
H21A H -0.3297 -0.5686 -0.0792 0.226 Uiso 1 1 calc R . .
H21B H -0.3035 -0.5707 -0.0370 0.226 Uiso 1 1 calc R . .
C22P C -0.3602(13) -0.5444(15) -0.0279(14) 0.252(12) Uani 1 1 d DU . .
H22A H -0.3734 -0.5700 -0.0201 0.379 Uiso 1 1 calc R . .
H22B H -0.3789 -0.5280 -0.0446 0.379 Uiso 1 1 calc R . .
H22C H -0.3527 -0.5296 -0.0024 0.379 Uiso 1 1 calc R . .
C23P C -0.2866(10) -0.4936(7) -0.0143(5) 0.176(8) Uani 1 1 d DU . .
H23A H -0.2675 -0.4704 -0.0142 0.211 Uiso 1 1 calc R . .
H23B H -0.3124 -0.4840 -0.0019 0.211 Uiso 1 1 calc R . .
C24P C -0.2694(8) -0.5264(7) 0.0141(8) 0.151(7) Uani 1 1 d DU . .
H24B H -0.2675 -0.5160 0.0428 0.227 Uiso 1 1 calc R . .
H24C H -0.2424 -0.5341 0.0043 0.227 Uiso 1 1 calc R . .
H24D H -0.2873 -0.5501 0.0136 0.227 Uiso 1 1 calc R . .
P5 P -0.91302(15) -0.33110(19) -0.30908(18) 0.1174(16) Uani 1 1 d DU . .
C25P C -0.9432(7) -0.2865(6) -0.3139(9) 0.157(7) Uani 1 1 d DU . .
H25A H -0.9706 -0.2944 -0.3237 0.188 Uiso 1 1 calc R . .
H25B H -0.9463 -0.2741 -0.2859 0.188 Uiso 1 1 calc R . .
C26P C -0.9265(10) -0.2545(9) -0.3439(10) 0.185(8) Uani 1 1 d DU . .
H26B H -0.9456 -0.2319 -0.3459 0.277 Uiso 1 1 calc R . .
H26C H -0.9226 -0.2665 -0.3717 0.277 Uiso 1 1 calc R . .
H26D H -0.9004 -0.2445 -0.3333 0.277 Uiso 1 1 calc R . .
C27P C -0.8692(5) -0.3112(7) -0.2826(6) 0.128(5) Uani 1 1 d DU . .
H27B H -0.8494 -0.3335 -0.2790 0.154 Uiso 1 1 calc R . .
H27C H -0.8565 -0.2905 -0.3009 0.154 Uiso 1 1 calc R . .
C28P C -0.8771(9) -0.2922(9) -0.2399(6) 0.156(7) Uani 1 1 d DU . .
H28A H -0.8514 -0.2830 -0.2278 0.234 Uiso 1 1 calc R . .
H28B H -0.8895 -0.3123 -0.2213 0.234 Uiso 1 1 calc R . .
H28C H -0.8955 -0.2690 -0.2431 0.234 Uiso 1 1 calc R . .
C29P C -0.9402(7) -0.3593(7) -0.2696(8) 0.154(7) Uani 1 1 d DU . .
H29B H -0.9460 -0.3412 -0.2456 0.185 Uiso 1 1 calc R . .
H29C H -0.9665 -0.3683 -0.2813 0.185 Uiso 1 1 calc R . .
C30P C -0.9164(9) -0.3967(8) -0.2538(9) 0.173(8) Uani 1 1 d DU . .
H30A H -0.9331 -0.4118 -0.2338 0.260 Uiso 1 1 calc R . .
H30B H -0.8914 -0.3877 -0.2400 0.260 Uiso 1 1 calc R . .
H30C H -0.9096 -0.4141 -0.2776 0.260 Uiso 1 1 calc R . .
P6 P -0.95885(16) -0.3912(2) -0.3822(3) 0.165(3) Uani 1 1 d DU . .
C31P C -0.9583(8) -0.4246(10) -0.4261(9) 0.230(11) Uani 1 1 d DU . .
H31B H -0.9556 -0.4084 -0.4521 0.276 Uiso 1 1 calc R . .
H31C H -0.9344 -0.4426 -0.4241 0.276 Uiso 1 1 calc R . .
C32P C -0.9971(10) -0.4507(9) -0.4287(9) 0.215(9) Uani 1 1 d DU . .
H32B H -0.9971 -0.4660 -0.4550 0.323 Uiso 1 1 calc R . .
H32C H -1.0210 -0.4331 -0.4277 0.323 Uiso 1 1 calc R . .
H32D H -0.9978 -0.4696 -0.4050 0.323 Uiso 1 1 calc R . .
C33P C -0.9956(5) -0.3533(8) -0.3760(10) 0.212(9) Uani 1 1 d DU . .
H33B H -1.0235 -0.3638 -0.3793 0.254 Uiso 1 1 calc R . .
H33C H -0.9930 -0.3390 -0.3489 0.254 Uiso 1 1 calc R . .
C34P C -0.9826(8) -0.3264(12) -0.4133(11) 0.232(11) Uani 1 1 d DU . .
H34B H -0.9944 -0.2993 -0.4102 0.348 Uiso 1 1 calc R . .
H34C H -0.9921 -0.3386 -0.4395 0.348 Uiso 1 1 calc R . .
H34D H -0.9529 -0.3243 -0.4139 0.348 Uiso 1 1 calc R . .
C35P C -0.9785(10) -0.4278(9) -0.3450(11) 0.227(10) Uani 1 1 d DU . .
H35A H -0.9793 -0.4156 -0.3166 0.273 Uiso 1 1 calc R . .
H35B H -1.0065 -0.4355 -0.3528 0.273 Uiso 1 1 calc R . .
C36P C -0.9513(10) -0.4654(10) -0.3447(9) 0.210(10) Uani 1 1 d DU . .
H36A H -0.9621 -0.4853 -0.3248 0.314 Uiso 1 1 calc R . .
H36B H -0.9238 -0.4576 -0.3363 0.314 Uiso 1 1 calc R . .
H36C H -0.9506 -0.4773 -0.3728 0.314 Uiso 1 1 calc R . .
P1A P -1.03791(16) -0.29886(16) -0.21118(16) 0.1069(13) Uani 1 1 d U . .
F1A F -1.0815(4) -0.3211(5) -0.2185(5) 0.162(4) Uani 1 1 d U . .
F2A F -0.9951(5) -0.2810(5) -0.2086(5) 0.166(4) Uani 1 1 d U . .
F3A F -1.0472(6) -0.2892(5) -0.1671(5) 0.179(4) Uani 1 1 d U . .
F4A F -1.0220(5) -0.3417(5) -0.2010(6) 0.180(4) Uani 1 1 d U . .
F5A F -1.0573(5) -0.2574(5) -0.2258(5) 0.170(4) Uani 1 1 d U . .
F6A F -1.0266(4) -0.3106(5) -0.2584(4) 0.153(4) Uani 1 1 d U . .
P2B P -0.79439(15) -0.20482(16) -0.30284(16) 0.1068(13) Uani 1 1 d U . .
F1B F -0.7553(4) -0.2105(3) -0.3297(3) 0.123(3) Uani 1 1 d U . .
F2B F -0.8213(4) -0.2158(5) -0.3409(4) 0.156(4) Uani 1 1 d U . .
F3B F -0.7928(4) -0.2510(4) -0.2910(4) 0.137(3) Uani 1 1 d U . .
F4B F -0.7672(3) -0.1945(3) -0.2617(4) 0.119(3) Uani 1 1 d U . .
F5B F -0.7953(3) -0.1577(3) -0.3135(4) 0.121(3) Uani 1 1 d U . .
F6B F -0.8339(4) -0.1989(4) -0.2727(5) 0.148(4) Uani 1 1 d U . .
P3C P -0.3843(2) -0.48130(18) 0.10033(19) 0.1296(18) Uani 1 1 d U . .
F1C F -0.4231(5) -0.4866(5) 0.1285(5) 0.179(4) Uani 1 1 d U . .
F2C F -0.4046(4) -0.4396(4) 0.0828(4) 0.140(3) Uani 1 1 d U . .
F3C F -0.3663(4) -0.4548(5) 0.1366(4) 0.157(4) Uani 1 1 d U . .
F4C F -0.4060(6) -0.4991(6) 0.0601(6) 0.202(5) Uani 1 1 d U . .
F5C F -0.3429(4) -0.4732(4) 0.0743(4) 0.145(4) Uani 1 1 d U . .
F6C F -0.3699(6) -0.5248(5) 0.1126(6) 0.195(5) Uani 1 1 d U . .
P4D P -0.7793(4) -0.4560(4) -0.2516(4) 0.208(4) Uani 1 1 d U . .
F1D F -0.7579(6) -0.4408(5) -0.2090(6) 0.183(4) Uani 1 1 d U . .
F2D F -0.7522(9) -0.4953(7) -0.2534(8) 0.239(6) Uani 1 1 d U . .
F3D F -0.7409(6) -0.4353(6) -0.2802(6) 0.193(5) Uani 1 1 d U . .
F4D F -0.8121(8) -0.4735(8) -0.2246(9) 0.252(6) Uani 1 1 d U . .
F5D F -0.8006(8) -0.4737(8) -0.2880(9) 0.257(6) Uani 1 1 d U . .
F6D F -0.8044(6) -0.4156(7) -0.2532(6) 0.208(5) Uani 1 1 d U . .
P5E P -0.1676(2) -0.41976(18) 0.0004(2) 0.1247(16) Uani 1 1 d U . .
F1E F -0.1578(7) -0.3925(7) 0.0391(6) 0.212(5) Uani 1 1 d U . .
F2E F -0.2086(6) -0.3993(6) 0.0038(6) 0.221(5) Uani 1 1 d DU . .
F3E F -0.1532(6) -0.3890(6) -0.0274(7) 0.228(6) Uani 1 1 d DU . .
F4E F -0.1867(6) -0.4511(7) 0.0341(8) 0.246(6) Uani 1 1 d DU . .
F5E F -0.1880(8) -0.4436(8) -0.0292(8) 0.249(6) Uani 1 1 d U . .
F6E F -0.1324(6) -0.4443(6) -0.0024(7) 0.218(5) Uani 1 1 d DU . .
P6F P -0.2630(3) -0.1576(3) -0.4833(2) 0.162(3) Uani 1 1 d DU . .
F1F F -0.2539(7) -0.1510(7) -0.4363(4) 0.217(5) Uani 1 1 d DU . .
F2F F -0.3001(6) -0.1818(7) -0.4682(7) 0.226(5) Uani 1 1 d DU . .
F3F F -0.2715(7) -0.1683(7) -0.5293(4) 0.205(5) Uani 1 1 d DU . .
F4F F -0.2321(5) -0.1264(5) -0.4960(6) 0.192(5) Uani 1 1 d DU . .
F5F F -0.2914(7) -0.1218(6) -0.4912(7) 0.231(5) Uani 1 1 d DU . .
F6F F -0.2334(6) -0.1925(6) -0.4798(7) 0.228(6) Uani 1 1 d DU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0028 '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 -0.0031 0.0056 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F -0.0055 0.0172 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1274 0.1530 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -7.6156 10.5557 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Pt1 N4 81.1(4) . 3_544 ?
N3 Pt1 P1 169.7(3) . . ?
N4 Pt1 P1 88.6(3) 3_544 . ?
N3 Pt1 P2 90.7(3) . . ?
N4 Pt1 P2 171.8(3) 3_544 . ?
P1 Pt1 P2 99.60(13) . . ?
N5 Pt2 N1 80.9(4) 2_445 . ?
N5 Pt2 P4 91.0(3) 2_445 . ?
N1 Pt2 P4 171.8(3) . . ?
N5 Pt2 P3 168.9(3) 2_445 . ?
N1 Pt2 P3 90.2(3) . . ?
P4 Pt2 P3 97.99(17) . . ?
N2 Pt3 N6 79.9(5) . 4_454 ?
N2 Pt3 P5 91.9(3) . . ?
N6 Pt3 P5 171.2(4) 4_454 . ?
N2 Pt3 P6 171.1(4) . . ?
N6 Pt3 P6 91.2(4) 4_454 . ?
P5 Pt3 P6 97.0(3) . . ?
C20 N1 C18 120.3(11) . . ?
C20 N1 Pt2 120.3(9) . . ?
C18 N1 Pt2 119.4(9) . . ?
C47 N2 C46 119.6(13) . . ?
C47 N2 Pt3 124.2(10) . . ?
C46 N2 Pt3 115.9(12) . . ?
C48 N3 C59 119.9(12) . . ?
C48 N3 Pt1 120.3(9) . . ?
C59 N3 Pt1 119.8(9) . . ?
C52 N4 C51 121.6(11) . . ?
C52 N4 Pt1 119.0(10) . 4_454 ?
C51 N4 Pt1 117.3(9) . 4_454 ?
C68 N5 C56 115.6(12) . . ?
C68 N5 Pt2 123.2(10) . 2_445 ?
C56 N5 Pt2 119.5(11) . 2_445 ?
C70 N6 C72 118.2(17) . . ?
C70 N6 Pt3 120.0(15) . 3_544 ?
C72 N6 Pt3 120.6(13) . 3_544 ?
C5 C1 C2 122.5(13) . . ?
C1 C2 C4 116.9(12) . . ?
C1 C2 C3 122.4(12) . . ?
C4 C2 C3 120.7(12) . . ?
C17 C3 C19 119.5(12) . . ?
C17 C3 C2 122.1(13) . . ?
C19 C3 C2 118.5(12) . . ?
C7 C4 C2 120.4(13) . . ?
C1 C5 C6 118.5(13) . . ?
C5 C6 C7 121.5(12) . . ?
C5 C6 C8 120.3(12) . . ?
C7 C6 C8 118.2(13) . . ?
C4 C7 C6 120.2(13) . . ?
C15 C8 C16 118.8(11) . . ?
C15 C8 C6 120.2(11) . . ?
C16 C8 C6 120.7(10) . . ?
C10 C9 C66 124.1(13) . . ?
C9 C10 C14 116.0(12) . . ?
C9 C10 C15 120.3(12) . . ?
C14 C10 C15 123.2(12) . . ?
C13 C11 C66 118.4(12) . . ?
C13 C11 C12 124.4(12) . . ?
C66 C11 C12 117.2(11) . . ?
C43 C12 C44 115.5(13) . . ?
C43 C12 C11 124.8(12) . . ?
C44 C12 C11 119.7(13) . . ?
C11 C13 C14 121.6(14) . . ?
C10 C14 C13 121.1(13) . . ?
C8 C15 C23 119.1(11) . . ?
C8 C15 C10 120.7(11) . . ?
C23 C15 C10 120.0(10) . . ?
C22 C16 C8 122.5(11) . . ?
C22 C16 C30 118.0(11) . . ?
C8 C16 C30 119.4(11) . . ?
C3 C17 C20 118.5(13) . . ?
N1 C18 C19 119.8(13) . . ?
C3 C19 C18 119.1(13) . . ?
N1 C20 C17 122.7(13) . . ?
C62 C21 C63 118.3(12) . . ?
C62 C21 C36 120.1(12) . . ?
C63 C21 C36 121.5(12) . . ?
C16 C22 C36 118.1(12) . . ?
C16 C22 C28 120.4(11) . . ?
C36 C22 C28 121.4(11) . . ?
C36 C23 C15 120.1(11) . . ?
C36 C23 C37 120.3(11) . . ?
C15 C23 C37 119.6(11) . . ?
C25 C24 C29 122.7(16) . . ?
C26 C25 C24 115.3(15) . . ?
C26 C25 C60 125.0(16) . . ?
C24 C25 C60 119.2(15) . . ?
C25 C26 C27 121.5(17) . . ?
C28 C27 C26 122.9(15) . . ?
C27 C28 C29 118.2(14) . . ?
C27 C28 C22 123.6(13) . . ?
C29 C28 C22 117.8(14) . . ?
C28 C29 C24 118.0(16) . . ?
C32 C30 C31 121.9(11) . . ?
C32 C30 C16 117.5(12) . . ?
C31 C30 C16 120.3(13) . . ?
C34 C31 C30 119.2(14) . . ?
C30 C32 C33 117.7(14) . . ?
C35 C33 C32 119.4(14) . . ?
C31 C34 C35 119.9(14) . . ?
C33 C35 C34 121.7(11) . . ?
C33 C35 C49 119.2(12) . . ?
C34 C35 C49 119.0(12) . . ?
C23 C36 C22 121.1(11) . . ?
C23 C36 C21 120.3(11) . . ?
C22 C36 C21 118.5(12) . . ?
C39 C37 C57 119.3(12) . . ?
C39 C37 C23 123.6(12) . . ?
C57 C37 C23 117.0(12) . . ?
C39 C38 C41 121.6(15) . . ?
C37 C39 C38 120.1(14) . . ?
C57 C40 C41 119.9(13) . . ?
C38 C41 C40 119.6(12) . . ?
C38 C41 C42 120.7(14) . . ?
C40 C41 C42 119.4(12) . . ?
C45 C42 C41 117.6(13) . . ?
C45 C42 C58 120.1(13) . . ?
C41 C42 C58 122.3(15) . . ?
C12 C43 C56 121.5(14) . . ?
C68 C44 C12 118.9(15) . . ?
C42 C45 C46 116.5(15) . . ?
N2 C46 C45 120.6(17) . . ?
N2 C47 C58 126.1(16) . . ?
N3 C48 C67 121.6(13) . . ?
C50 C49 C67 122.1(12) . . ?
C50 C49 C35 121.3(12) . . ?
C67 C49 C35 116.5(12) . . ?
C49 C50 C59 118.5(13) . . ?
N4 C51 C53 122.7(13) . . ?
N4 C52 C64 121.4(14) . . ?
C51 C53 C54 115.6(14) . . ?
C64 C54 C53 118.4(12) . . ?
C64 C54 C55 123.2(13) . . ?
C53 C54 C55 118.2(13) . . ?
C65 C55 C69 120.2(13) . . ?
C65 C55 C54 119.7(14) . . ?
C69 C55 C54 119.9(14) . . ?
N5 C56 C43 123.4(14) . . ?
C40 C57 C37 119.5(13) . . ?
C47 C58 C42 116.5(16) . . ?
N3 C59 C50 120.7(13) . . ?
C61 C60 C71 115.5(19) . . ?
C61 C60 C25 119.6(17) . . ?
C71 C60 C25 124.0(19) . . ?
C60 C61 C72 120.2(19) . . ?
C65 C62 C21 121.1(15) . . ?
C69 C63 C21 120.8(14) . . ?
C54 C64 C52 119.8(14) . . ?
C62 C65 C55 120.4(15) . . ?
C9 C66 C11 118.7(12) . . ?
C49 C67 C48 117.0(13) . . ?
N5 C68 C44 125.1(14) . . ?
C63 C69 C55 118.9(14) . . ?
N6 C70 C71 119(2) . . ?
C60 C71 C70 125(2) . . ?
N6 C72 C61 120.6(19) . . ?
C1P P1 C5P 106.2(10) . . ?
C1P P1 C3P 107.1(8) . . ?
C5P P1 C3P 104.2(9) . . ?
C1P P1 Pt1 108.9(7) . . ?
C5P P1 Pt1 121.5(5) . . ?
C3P P1 Pt1 108.1(6) . . ?
C2P C1P P1 114.7(12) . . ?
C4P C3P P1 116.6(13) . . ?
C6P C5P P1 115.5(11) . . ?
C11P P2 C9P 107.7(6) . . ?
C11P P2 C7P 105.6(7) . . ?
C9P P2 C7P 102.3(7) . . ?
C11P P2 Pt1 114.7(5) . . ?
C9P P2 Pt1 113.3(5) . . ?
C7P P2 Pt1 112.1(4) . . ?
C8P C7P P2 114.5(10) . . ?
C10P C9P P2 115.6(10) . . ?
C12P C11P P2 111.5(9) . . ?
C17P P3 C15P 105.1(11) . . ?
C17P P3 C13P 105.6(9) . . ?
C15P P3 C13P 103.9(12) . . ?
C17P P3 Pt2 119.8(7) . . ?
C15P P3 Pt2 112.7(5) . . ?
C13P P3 Pt2 108.4(9) . . ?
C14P C13P P3 113.5(17) . . ?
C16P C15P P3 119.0(12) . . ?
C18P C17P P3 107.4(14) . . ?
C19P P4 C23P 124.1(14) . . ?
C19P P4 C21P 94.5(16) . . ?
C23P P4 C21P 92.7(15) . . ?
C19P P4 Pt2 107.3(10) . . ?
C23P P4 Pt2 120.5(7) . . ?
C21P P4 Pt2 112.4(10) . . ?
C20P C19P P4 97(2) . . ?
C22P C21P P4 111(2) . . ?
C24P C23P P4 117.3(16) . . ?
C25P P5 C27P 100.9(13) . . ?
C25P P5 C29P 102.0(11) . . ?
C27P P5 C29P 105.0(12) . . ?
C25P P5 Pt3 119.1(9) . . ?
C27P P5 Pt3 111.8(6) . . ?
C29P P5 Pt3 116.1(9) . . ?
C26P C25P P5 115.0(17) . . ?
C28P C27P P5 115.7(16) . . ?
C30P C29P P5 112.7(16) . . ?
C33P P6 C31P 122.4(17) . . ?
C33P P6 C35P 98.8(15) . . ?
C31P P6 C35P 96.2(18) . . ?
C33P P6 Pt3 110.4(9) . . ?
C31P P6 Pt3 111.8(9) . . ?
C35P P6 Pt3 115.8(13) . . ?
C32P C31P P6 112.2(15) . . ?
C34P C33P P6 97.5(15) . . ?
C36P C35P P6 109(2) . . ?
F3A P1A F4A 94.0(10) . . ?
F3A P1A F2A 93.3(10) . . ?
F4A P1A F2A 91.5(10) . . ?
F3A P1A F5A 90.5(10) . . ?
F4A P1A F5A 173.2(10) . . ?
F2A P1A F5A 93.3(9) . . ?
F3A P1A F6A 177.9(11) . . ?
F4A P1A F6A 84.1(9) . . ?
F2A P1A F6A 86.0(9) . . ?
F5A P1A F6A 91.5(9) . . ?
F3A P1A F1A 92.9(10) . . ?
F4A P1A F1A 85.2(9) . . ?
F2A P1A F1A 173.2(9) . . ?
F5A P1A F1A 89.4(9) . . ?
F6A P1A F1A 87.7(8) . . ?
F2B P2B F1B 90.9(8) . . ?
F2B P2B F3B 89.0(8) . . ?
F1B P2B F3B 89.4(7) . . ?
F2B P2B F5B 92.8(7) . . ?
F1B P2B F5B 90.8(7) . . ?
F3B P2B F5B 178.3(8) . . ?
F2B P2B F4B 177.7(9) . . ?
F1B P2B F4B 90.7(6) . . ?
F3B P2B F4B 89.4(6) . . ?
F5B P2B F4B 88.8(6) . . ?
F2B P2B F6B 91.8(8) . . ?
F1B P2B F6B 177.2(8) . . ?
F3B P2B F6B 90.1(8) . . ?
F5B P2B F6B 89.7(7) . . ?
F4B P2B F6B 86.5(7) . . ?
F6C P3C F4C 90.0(12) . . ?
F6C P3C F1C 90.1(9) . . ?
F4C P3C F1C 93.1(11) . . ?
F6C P3C F3C 102.3(10) . . ?
F4C P3C F3C 167.7(11) . . ?
F1C P3C F3C 87.1(9) . . ?
F6C P3C F5C 91.5(9) . . ?
F4C P3C F5C 91.5(9) . . ?
F1C P3C F5C 175.2(10) . . ?
F3C P3C F5C 88.1(8) . . ?
F6C P3C F2C 170.8(11) . . ?
F4C P3C F2C 81.2(10) . . ?
F1C P3C F2C 87.4(8) . . ?
F3C P3C F2C 86.5(8) . . ?
F5C P3C F2C 91.7(8) . . ?
F5D P4D F2D 85.2(16) . . ?
F5D P4D F6D 93.2(14) . . ?
F2D P4D F6D 175.1(16) . . ?
F5D P4D F4D 87.4(15) . . ?
F2D P4D F4D 96.6(15) . . ?
F6D P4D F4D 87.9(15) . . ?
F5D P4D F1D 173.9(15) . . ?
F2D P4D F1D 92.4(12) . . ?
F6D P4D F1D 89.6(12) . . ?
F4D P4D F1D 87.3(15) . . ?
F5D P4D F3D 95.1(15) . . ?
F2D P4D F3D 83.6(14) . . ?
F6D P4D F3D 92.0(11) . . ?
F4D P4D F3D 177.5(15) . . ?
F1D P4D F3D 90.2(10) . . ?
F6E P5E F3E 95.4(9) . . ?
F6E P5E F5E 91.8(15) . . ?
F3E P5E F5E 98.0(16) . . ?
F6E P5E F1E 102.0(13) . . ?
F3E P5E F1E 90.8(13) . . ?
F5E P5E F1E 162.9(16) . . ?
F6E P5E F2E 171.7(12) . . ?
F3E P5E F2E 91.4(8) . . ?
F5E P5E F2E 82.5(14) . . ?
F1E P5E F2E 82.6(12) . . ?
F6E P5E F4E 89.8(8) . . ?
F3E P5E F4E 174.2(12) . . ?
F5E P5E F4E 84.4(15) . . ?
F1E P5E F4E 85.4(13) . . ?
F2E P5E F4E 83.7(8) . . ?
F4F P6F F6F 95.9(13) . . ?
F4F P6F F5F 80.8(12) . . ?
F6F P6F F5F 174.4(14) . . ?
F4F P6F F3F 91.3(11) . . ?
F6F P6F F3F 90.8(14) . . ?
F5F P6F F3F 84.7(13) . . ?
F4F P6F F2F 168.0(15) . . ?
F6F P6F F2F 95.5(13) . . ?
F5F P6F F2F 88.1(14) . . ?
F3F P6F F2F 92.1(12) . . ?
F4F P6F F1F 91.8(12) . . ?
F6F P6F F1F 84.9(13) . . ?
F5F P6F F1F 99.7(14) . . ?
F3F P6F F1F 174.9(14) . . ?
F2F P6F F1F 85.6(12) . . ?
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 N3 2.059(11) . ?
Pt1 N4 2.109(10) 3_544 ?
Pt1 P1 2.273(3) . ?
Pt1 P2 2.278(3) . ?
Pt2 N5 2.083(12) 2_445 ?
Pt2 N1 2.106(10) . ?
Pt2 P4 2.270(4) . ?
Pt2 P3 2.279(4) . ?
Pt3 N2 2.088(11) . ?
Pt3 N6 2.082(15) 4_454 ?
Pt3 P5 2.276(5) . ?
Pt3 P6 2.285(6) . ?
N1 C20 1.290(17) . ?
N1 C18 1.337(19) . ?
N2 C47 1.33(2) . ?
N2 C46 1.35(2) . ?
N3 C48 1.331(18) . ?
N3 C59 1.332(19) . ?
N4 C52 1.307(19) . ?
N4 C51 1.329(18) . ?
N4 Pt1 2.109(10) 4_454 ?
N5 C68 1.31(2) . ?
N5 C56 1.360(18) . ?
N5 Pt2 2.083(12) 2_445 ?
N6 C70 1.28(3) . ?
N6 C72 1.37(2) . ?
N6 Pt3 2.082(15) 3_544 ?
C1 C5 1.389(18) . ?
C1 C2 1.395(19) . ?
C2 C4 1.40(2) . ?
C2 C3 1.472(17) . ?
C3 C17 1.352(19) . ?
C3 C19 1.368(19) . ?
C4 C7 1.392(18) . ?
C5 C6 1.365(19) . ?
C6 C7 1.365(19) . ?
C6 C8 1.513(17) . ?
C8 C15 1.368(17) . ?
C8 C16 1.419(18) . ?
C9 C10 1.370(19) . ?
C9 C66 1.380(17) . ?
C10 C14 1.39(2) . ?
C10 C15 1.482(18) . ?
C11 C13 1.327(19) . ?
C11 C66 1.439(18) . ?
C11 C12 1.453(19) . ?
C12 C43 1.329(19) . ?
C12 C44 1.46(2) . ?
C13 C14 1.43(2) . ?
C15 C23 1.451(17) . ?
C16 C22 1.372(17) . ?
C16 C30 1.532(17) . ?
C17 C20 1.384(19) . ?
C18 C19 1.397(19) . ?
C21 C62 1.37(2) . ?
C21 C63 1.44(2) . ?
C21 C36 1.482(18) . ?
C22 C36 1.410(18) . ?
C22 C28 1.509(18) . ?
C23 C36 1.362(18) . ?
C23 C37 1.476(17) . ?
C24 C25 1.39(2) . ?
C24 C29 1.42(2) . ?
C25 C26 1.35(2) . ?
C25 C60 1.43(2) . ?
C26 C27 1.40(2) . ?
C27 C28 1.33(2) . ?
C28 C29 1.39(2) . ?
C30 C32 1.42(2) . ?
C30 C31 1.40(2) . ?
C31 C34 1.378(18) . ?
C32 C33 1.426(18) . ?
C33 C35 1.38(2) . ?
C34 C35 1.41(2) . ?
C35 C49 1.511(17) . ?
C37 C39 1.38(2) . ?
C37 C57 1.44(2) . ?
C38 C39 1.373(19) . ?
C38 C41 1.40(2) . ?
C40 C57 1.401(19) . ?
C40 C41 1.38(2) . ?
C41 C42 1.475(19) . ?
C42 C45 1.42(2) . ?
C42 C58 1.44(2) . ?
C43 C56 1.403(19) . ?
C44 C68 1.38(2) . ?
C45 C46 1.45(2) . ?
C47 C58 1.34(2) . ?
C48 C67 1.431(19) . ?
C49 C50 1.326(19) . ?
C49 C67 1.37(2) . ?
C50 C59 1.441(18) . ?
C51 C53 1.386(19) . ?
C52 C64 1.385(19) . ?
C53 C54 1.47(2) . ?
C54 C64 1.37(2) . ?
C54 C55 1.493(19) . ?
C55 C65 1.40(2) . ?
C55 C69 1.40(2) . ?
C60 C61 1.37(3) . ?
C60 C71 1.23(3) . ?
C61 C72 1.42(3) . ?
C62 C65 1.38(2) . ?
C63 C69 1.38(2) . ?
C70 C71 1.48(3) . ?
P1 C1P 1.782(12) . ?
P1 C5P 1.786(11) . ?
P1 C3P 1.833(12) . ?
C1P C2P 1.515(14) . ?
C3P C4P 1.533(14) . ?
C5P C6P 1.510(13) . ?
P2 C11P 1.797(11) . ?
P2 C9P 1.814(10) . ?
P2 C7P 1.832(10) . ?
C7P C8P 1.522(13) . ?
C9P C10P 1.521(13) . ?
C11P C12P 1.540(13) . ?
P3 C17P 1.784(12) . ?
P3 C15P 1.817(12) . ?
P3 C13P 1.819(13) . ?
C13P C14P 1.538(15) . ?
C15P C16P 1.513(14) . ?
C17P C18P 1.514(15) . ?
P4 C19P 1.806(14) . ?
P4 C23P 1.807(13) . ?
P4 C21P 1.806(14) . ?
C19P C20P 1.553(16) . ?
C21P C22P 1.532(16) . ?
C23P C24P 1.521(15) . ?
P5 C25P 1.785(13) . ?
P5 C27P 1.797(13) . ?
P5 C29P 1.804(13) . ?
C25P C26P 1.527(15) . ?
C27P C28P 1.522(14) . ?
C29P C30P 1.547(15) . ?
P6 C33P 1.753(14) . ?
P6 C31P 1.783(14) . ?
P6 C35P 1.814(14) . ?
C31P C32P 1.546(15) . ?
C33P C34P 1.543(15) . ?
C35P C36P 1.531(16) . ?
P1A F3A 1.474(16) . ?
P1A F4A 1.540(16) . ?
P1A F2A 1.531(15) . ?
P1A F5A 1.582(15) . ?
P1A F6A 1.601(15) . ?
P1A F1A 1.631(15) . ?
P2B F2B 1.547(14) . ?
P2B F1B 1.559(12) . ?
P2B F3B 1.569(13) . ?
P2B F5B 1.590(12) . ?
P2B F4B 1.624(12) . ?
P2B F6B 1.633(13) . ?
P3C F6C 1.560(17) . ?
P3C F4C 1.582(18) . ?
P3C F1C 1.575(15) . ?
P3C F3C 1.568(15) . ?
P3C F5C 1.619(13) . ?
P3C F2C 1.629(14) . ?
P4D F5D 1.48(2) . ?
P4D F2D 1.57(3) . ?
P4D F6D 1.57(2) . ?
P4D F4D 1.50(3) . ?
P4D F1D 1.61(2) . ?
P4D F3D 1.70(2) . ?
P5E F6E 1.42(2) . ?
P5E F3E 1.426(19) . ?
P5E F5E 1.40(2) . ?
P5E F1E 1.563(19) . ?
P5E F2E 1.51(2) . ?
P5E F4E 1.62(2) . ?
P6F F4F 1.505(12) . ?
P6F F6F 1.513(14) . ?
P6F F5F 1.529(14) . ?
P6F F3F 1.535(13) . ?
P6F F2F 1.535(13) . ?
P6F F1F 1.546(13) . ?
