# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

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

data_ial285a
_database_code_depnum_ccdc_archive 'CCDC 1408928'
_audit_update_record             
;
2015-09-09 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C63 H48 F10 O3 P4 Pt3) 5(C3 H6 O)'
_chemical_formula_sum            'C70.50 H63 F10 O5.50 P4 Pt3'
_chemical_formula_weight         1897.36

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   15.6938(7)
_cell_length_b                   17.0520(8)
_cell_length_c                   26.2736(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7031.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9858
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      28.47

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.792
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3656
_exptl_absorpt_coefficient_mu    6.120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3334
_exptl_absorpt_correction_T_max  0.7918
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38349
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         1.51
_diffrn_reflns_theta_max         25.00
_reflns_number_total             12365
_reflns_number_gt                11397
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger.
 
 The H atoms bonded to O3 were not observed and have not been located in 
the model since its positions are not determined by the rest of the molecule. 
 One lattice acetone molecule (O6, C70, C71, C72) showed some disorder and 
has been refined with loose restraints (DFIX, FLAT). 
 
At the end of the refinement, residual density peaks greater than 1e/A^3 are
located close to the platinum atoms (with no chemical sense). 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0481P)²+22.3986P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.016(8)
_refine_ls_number_reflns         12365
_refine_ls_number_parameters     837
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0426
_refine_ls_wR_factor_ref         0.1018
_refine_ls_wR_factor_gt          0.0993
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.06630(2) 0.96325(2) 0.929520(15) 0.02512(10) Uani 1 1 d . . .
Pt2 Pt 0.08876(2) 0.89293(2) 0.825311(15) 0.02382(9) Uani 1 1 d . . .
Pt3 Pt 0.24145(3) 0.86580(3) 0.728854(18) 0.03708(12) Uani 1 1 d . . .
P1 P -0.09441(17) 0.85710(15) 0.87997(10) 0.0272(6) Uani 1 1 d . . .
P2 P 0.07472(17) 0.93859(14) 0.90917(10) 0.0254(5) Uani 1 1 d . . .
P3 P 0.10812(17) 0.83089(15) 0.74811(10) 0.0262(6) Uani 1 1 d . . .
P4 P 0.21674(17) 0.93404(15) 0.79940(11) 0.0282(6) Uani 1 1 d . . .
O1 O -0.0325(4) 0.8458(4) 0.8346(3) 0.0257(15) Uani 1 1 d . . .
O2 O 0.2540(6) 0.8101(5) 0.6550(3) 0.053(2) Uani 1 1 d . . .
O3 O 0.3733(6) 0.9002(6) 0.7194(4) 0.060(3) Uani 1 1 d . . .
F2 F -0.2365(4) 1.0331(4) 0.8725(2) 0.0392(14) Uani 1 1 d . . .
F3 F -0.3961(4) 1.0563(4) 0.9052(3) 0.0472(17) Uani 1 1 d . . .
F4 F -0.4402(4) 1.0218(4) 1.0023(3) 0.0508(18) Uani 1 1 d . . .
F5 F -0.3212(4) 0.9634(4) 1.0670(3) 0.0524(18) Uani 1 1 d . . .
F6 F -0.1627(4) 0.9347(4) 1.0355(2) 0.0427(16) Uani 1 1 d . . .
F8 F -0.1038(4) 1.1434(4) 0.9058(2) 0.0435(16) Uani 1 1 d . . .
F9 F -0.0721(5) 1.2778(4) 0.9551(3) 0.059(2) Uani 1 1 d . . .
F10 F 0.0171(6) 1.2758(4) 1.0444(3) 0.066(2) Uani 1 1 d . . .
F11 F 0.0707(5) 1.1366(4) 1.0843(3) 0.0551(19) Uani 1 1 d . . .
F12 F 0.0330(5) 1.0014(4) 1.0378(3) 0.0447(17) Uani 1 1 d . . .
C1 C -0.1915(6) 0.9818(5) 0.9516(4) 0.026(2) Uani 1 1 d . . .
C2 C -0.2536(7) 1.0121(6) 0.9210(4) 0.031(2) Uani 1 1 d . . .
C3 C -0.3375(6) 1.0278(6) 0.9375(4) 0.033(2) Uani 1 1 d . . .
C4 C -0.3591(8) 1.0095(7) 0.9864(5) 0.044(3) Uani 1 1 d . . .
C5 C -0.3007(7) 0.9798(6) 1.0182(4) 0.034(3) Uani 1 1 d . . .
C6 C -0.2180(7) 0.9642(6) 1.0008(4) 0.034(2) Uani 1 1 d . . .
C7 C -0.0377(6) 1.0655(6) 0.9695(4) 0.032(2) Uani 1 1 d . . .
C8 C -0.0618(7) 1.1381(6) 0.9510(4) 0.035(2) Uani 1 1 d . . .
C9 C -0.0447(7) 1.2090(6) 0.9756(5) 0.039(3) Uani 1 1 d . . .
C10 C 0.0009(8) 1.2090(6) 1.0210(5) 0.040(3) Uani 1 1 d . . .
C11 C 0.0257(7) 1.1389(7) 1.0400(4) 0.039(3) Uani 1 1 d . . .
C12 C 0.0057(8) 1.0693(6) 1.0154(5) 0.037(3) Uani 1 1 d . . .
C13 C -0.1991(6) 0.8606(6) 0.8484(5) 0.032(3) Uani 1 1 d . . .
C14 C -0.2719(7) 0.8290(7) 0.8701(5) 0.042(3) Uani 1 1 d . . .
H14 H -0.2689 0.8036 0.9023 0.051 Uiso 1 1 calc R . .
C15 C -0.3488(8) 0.8344(9) 0.8448(6) 0.054(4) Uani 1 1 d . . .
H15 H -0.3983 0.8122 0.8598 0.065 Uiso 1 1 calc R . .
C16 C -0.3555(8) 0.8704(8) 0.7995(6) 0.052(3) Uani 1 1 d . . .
H16 H -0.4090 0.8735 0.7827 0.063 Uiso 1 1 calc R . .
C17 C -0.2813(8) 0.9036(7) 0.7770(5) 0.044(3) Uani 1 1 d . . .
H17 H -0.2844 0.9295 0.7450 0.052 Uiso 1 1 calc R . .
C18 C -0.2060(6) 0.8978(6) 0.8020(4) 0.026(2) Uani 1 1 d . . .
H18 H -0.1564 0.9200 0.7871 0.031 Uiso 1 1 calc R . .
C19 C -0.0961(7) 0.7609(6) 0.9131(4) 0.033(2) Uani 1 1 d . . .
C20 C -0.1349(7) 0.7508(7) 0.9596(5) 0.038(3) Uani 1 1 d . . .
H20 H -0.1605 0.7944 0.9760 0.045 Uiso 1 1 calc R . .
C21 C -0.1370(8) 0.6796(7) 0.9821(5) 0.045(3) Uani 1 1 d . . .
H21 H -0.1674 0.6727 1.0130 0.054 Uiso 1 1 calc R . .
C22 C -0.0950(8) 0.6171(7) 0.9603(5) 0.046(3) Uani 1 1 d . . .
H22 H -0.0923 0.5681 0.9774 0.055 Uiso 1 1 calc R . .
C23 C -0.0571(8) 0.6263(6) 0.9135(5) 0.044(3) Uani 1 1 d . . .
H23 H -0.0300 0.5830 0.8975 0.053 Uiso 1 1 calc R . .
C24 C -0.0585(8) 0.6990(6) 0.8898(5) 0.040(3) Uani 1 1 d . . .
H24 H -0.0332 0.7054 0.8572 0.048 Uiso 1 1 calc R . .
C25 C 0.1449(6) 1.0169(6) 0.9293(4) 0.028(2) Uani 1 1 d . . .
C26 C 0.2036(7) 1.0114(6) 0.9695(5) 0.037(3) Uani 1 1 d . . .
H26 H 0.2101 0.9630 0.9870 0.044 Uiso 1 1 calc R . .
C27 C 0.2522(9) 1.0754(7) 0.9840(5) 0.050(3) Uani 1 1 d . . .
H27 H 0.2926 1.0705 1.0108 0.060 Uiso 1 1 calc R . .
C28 C 0.2420(9) 1.1456(7) 0.9597(5) 0.051(3) Uani 1 1 d . . .
H28 H 0.2747 1.1897 0.9701 0.061 Uiso 1 1 calc R . .
C29 C 0.1849(8) 1.1534(6) 0.9203(5) 0.045(3) Uani 1 1 d . . .
H29 H 0.1777 1.2028 0.9041 0.055 Uiso 1 1 calc R . .
C30 C 0.1383(8) 1.0895(6) 0.9042(5) 0.037(3) Uani 1 1 d . . .
H30 H 0.1012 1.0945 0.8758 0.045 Uiso 1 1 calc R . .
C31 C 0.1059(6) 0.8525(6) 0.9467(4) 0.030(2) Uani 1 1 d . . .
C32 C 0.1711(6) 0.8045(6) 0.9306(4) 0.030(2) Uani 1 1 d . . .
H32 H 0.2041 0.8190 0.9018 0.037 Uiso 1 1 calc R . .
C33 C 0.1894(7) 0.7342(6) 0.9564(5) 0.035(3) Uani 1 1 d . . .
H33 H 0.2368 0.7033 0.9464 0.042 Uiso 1 1 calc R . .
C34 C 0.1387(7) 0.7102(6) 0.9960(4) 0.036(3) Uani 1 1 d . . .
H34 H 0.1486 0.6613 1.0123 0.043 Uiso 1 1 calc R . .
C35 C 0.0737(8) 0.7580(6) 1.0117(4) 0.037(3) Uani 1 1 d . . .
H35 H 0.0384 0.7424 1.0392 0.044 Uiso 1 1 calc R . .
C36 C 0.0590(7) 0.8295(6) 0.9875(4) 0.034(2) Uani 1 1 d . . .
H36 H 0.0151 0.8629 0.9997 0.040 Uiso 1 1 calc R . .
C37 C 0.0311(7) 0.8529(6) 0.6982(4) 0.032(2) Uani 1 1 d . . .
C38 C -0.0551(8) 0.8329(7) 0.7075(5) 0.043(3) Uani 1 1 d . . .
H38 H -0.0710 0.8089 0.7387 0.051 Uiso 1 1 calc R . .
C39 C -0.1165(8) 0.8487(7) 0.6703(6) 0.052(3) Uani 1 1 d . . .
H39 H -0.1743 0.8343 0.6758 0.062 Uiso 1 1 calc R . .
C40 C -0.0925(10) 0.8857(8) 0.6252(5) 0.057(4) Uani 1 1 d . . .
H40 H -0.1346 0.8973 0.6003 0.069 Uiso 1 1 calc R . .
C41 C -0.0103(12) 0.9053(8) 0.6163(6) 0.064(4) Uani 1 1 d . . .
H41 H 0.0051 0.9301 0.5853 0.076 Uiso 1 1 calc R . .
C42 C 0.0532(9) 0.8887(7) 0.6537(5) 0.050(3) Uani 1 1 d . . .
H42 H 0.1109 0.9026 0.6475 0.060 Uiso 1 1 calc R . .
C43 C 0.1043(6) 0.7252(6) 0.7544(4) 0.025(2) Uani 1 1 d . . .
C44 C 0.1203(7) 0.6904(6) 0.8017(4) 0.032(2) Uani 1 1 d . . .
H44 H 0.1329 0.7227 0.8301 0.039 Uiso 1 1 calc R . .
C45 C 0.1183(8) 0.6101(6) 0.8077(4) 0.041(3) Uani 1 1 d . . .
H45 H 0.1280 0.5879 0.8404 0.050 Uiso 1 1 calc R . .
C46 C 0.1026(8) 0.5626(6) 0.7675(5) 0.041(3) Uani 1 1 d . . .
H46 H 0.1015 0.5073 0.7720 0.049 Uiso 1 1 calc R . .
C47 C 0.0878(7) 0.5948(6) 0.7191(4) 0.035(2) Uani 1 1 d . . .
H47 H 0.0777 0.5618 0.6906 0.042 Uiso 1 1 calc R . .
C48 C 0.0883(7) 0.6756(6) 0.7136(4) 0.032(2) Uani 1 1 d . . .
H48 H 0.0774 0.6976 0.6810 0.039 Uiso 1 1 calc R . .
C49 C 0.2167(6) 1.0370(6) 0.7791(4) 0.029(2) Uani 1 1 d . . .
C50 C 0.1408(7) 1.0721(6) 0.7665(5) 0.037(3) Uani 1 1 d . . .
H50 H 0.0887 1.0459 0.7737 0.044 Uiso 1 1 calc R . .
C51 C 0.1391(8) 1.1443(7) 0.7438(5) 0.044(3) Uani 1 1 d . . .
H51 H 0.0863 1.1679 0.7351 0.053 Uiso 1 1 calc R . .
C52 C 0.2140(9) 1.1822(7) 0.7337(6) 0.056(4) Uani 1 1 d . . .
H52 H 0.2124 1.2322 0.7177 0.067 Uiso 1 1 calc R . .
C53 C 0.2908(9) 1.1501(7) 0.7459(5) 0.048(3) Uani 1 1 d . . .
H53 H 0.3422 1.1781 0.7400 0.058 Uiso 1 1 calc R . .
C54 C 0.2925(7) 1.0766(7) 0.7669(5) 0.038(3) Uani 1 1 d . . .
H54 H 0.3457 1.0521 0.7734 0.045 Uiso 1 1 calc R . .
C55 C 0.3080(7) 0.9248(6) 0.8423(4) 0.030(2) Uani 1 1 d . . .
C56 C 0.3353(7) 0.9847(7) 0.8724(4) 0.035(3) Uani 1 1 d . . .
H56 H 0.3056 1.0332 0.8722 0.042 Uiso 1 1 calc R . .
C57 C 0.4070(7) 0.9750(7) 0.9037(4) 0.039(3) Uani 1 1 d . . .
H57 H 0.4259 1.0171 0.9246 0.047 Uiso 1 1 calc R . .
C58 C 0.4488(7) 0.9065(8) 0.9043(5) 0.047(3) Uani 1 1 d . . .
H58 H 0.4975 0.9007 0.9254 0.056 Uiso 1 1 calc R . .
C59 C 0.4217(7) 0.8425(7) 0.8737(5) 0.043(3) Uani 1 1 d . . .
H59 H 0.4508 0.7937 0.8742 0.052 Uiso 1 1 calc R . .
C60 C 0.3535(7) 0.8541(7) 0.8443(5) 0.037(3) Uani 1 1 d . . .
H60 H 0.3346 0.8119 0.8236 0.044 Uiso 1 1 calc R . .
C61 C 0.2788(8) 0.7493(8) 0.6438(6) 0.055(4) Uani 1 1 d . . .
C62 C 0.3046(10) 0.6900(10) 0.6833(6) 0.072(5) Uani 1 1 d . . .
H62A H 0.2965 0.7123 0.7173 0.108 Uiso 1 1 calc R . .
H62B H 0.3648 0.6763 0.6786 0.108 Uiso 1 1 calc R . .
H62C H 0.2696 0.6428 0.6797 0.108 Uiso 1 1 calc R . .
C63 C 0.2854(10) 0.7255(9) 0.5870(6) 0.067(4) Uani 1 1 d . . .
H63A H 0.2670 0.7694 0.5656 0.100 Uiso 1 1 calc R . .
H63B H 0.2488 0.6800 0.5806 0.100 Uiso 1 1 calc R . .
H63C H 0.3446 0.7120 0.5789 0.100 Uiso 1 1 calc R . .
O4 O 0.3987(8) 0.0214(7) 0.6590(4) 0.080(3) Uani 1 1 d . . .
C64 C 0.3392(12) 0.0502(9) 0.6332(6) 0.067(4) Uani 1 1 d . . .
C65 C 0.2609(11) 0.0123(9) 0.6264(6) 0.075(5) Uani 1 1 d . . .
H65A H 0.2623 -0.0389 0.6432 0.112 Uiso 1 1 calc R . .
H65B H 0.2502 0.0050 0.5899 0.112 Uiso 1 1 calc R . .
H65C H 0.2153 0.0443 0.6411 0.112 Uiso 1 1 calc R . .
C66 C 0.3542(15) 0.1295(10) 0.6116(7) 0.103(7) Uani 1 1 d . . .
H66A H 0.4117 0.1471 0.6204 0.154 Uiso 1 1 calc R . .
H66B H 0.3123 0.1663 0.6256 0.154 Uiso 1 1 calc R . .
H66C H 0.3483 0.1275 0.5745 0.154 Uiso 1 1 calc R . .
O5 O 0.4786(11) 0.6859(7) 0.8003(7) 0.123(6) Uani 1 1 d . . .
C67 C 0.4471(17) 0.6255(14) 0.8040(10) 0.122(9) Uani 1 1 d . . .
C68 C 0.4528(14) 0.5662(13) 0.7543(11) 0.134(10) Uani 1 1 d . . .
H68A H 0.4866 0.5912 0.7274 0.201 Uiso 1 1 calc R . .
H68B H 0.3952 0.5555 0.7416 0.201 Uiso 1 1 calc R . .
H68C H 0.4799 0.5169 0.7644 0.201 Uiso 1 1 calc R . .
C69 C 0.394(2) 0.601(2) 0.8486(13) 0.200(16) Uani 1 1 d . . .
H69A H 0.3936 0.6424 0.8742 0.301 Uiso 1 1 calc R . .
H69B H 0.4181 0.5528 0.8635 0.301 Uiso 1 1 calc R . .
H69C H 0.3356 0.5902 0.8372 0.301 Uiso 1 1 calc R . .
O6 O 0.6008(12) 0.8600(11) 0.6620(7) 0.074(6) Uiso 0.50 1 d PD . .
C70 C 0.6323(15) 0.8228(17) 0.6332(11) 0.062(8) Uiso 0.50 1 d PD . .
C71 C 0.6250(19) 0.7367(10) 0.6303(11) 0.070(9) Uiso 0.50 1 d PD . .
H71A H 0.5873 0.7180 0.6575 0.104 Uiso 0.50 1 calc PR . .
H71B H 0.6815 0.7131 0.6344 0.104 Uiso 0.50 1 calc PR . .
H71C H 0.6013 0.7218 0.5972 0.104 Uiso 0.50 1 calc PR . .
C72 C 0.6880(16) 0.8582(14) 0.5916(9) 0.063(8) Uiso 0.50 1 d PD . .
H72A H 0.6950 0.9145 0.5978 0.094 Uiso 0.50 1 calc PR . .
H72B H 0.6608 0.8502 0.5585 0.094 Uiso 0.50 1 calc PR . .
H72C H 0.7439 0.8326 0.5918 0.094 Uiso 0.50 1 calc PR . .


_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 C1 2.073(10) . ?
Pt1 C7 2.084(10) . ?
Pt1 P1 2.273(3) . ?
Pt1 P2 2.315(3) . ?
Pt2 O1 2.080(6) . ?
Pt2 P4 2.234(3) . ?
Pt2 P3 2.308(3) . ?
Pt2 P2 2.347(3) . ?
Pt3 O3 2.165(8) . ?
Pt3 O2 2.169(8) . ?
Pt3 P4 2.223(3) . ?
Pt3 P3 2.234(3) . ?
P1 O1 1.549(7) . ?
P1 C13 1.842(11) . ?
P1 C19 1.858(10) . ?
P2 C25 1.811(10) . ?
P2 C31 1.835(10) . ?
P3 C43 1.811(10) . ?
P3 C37 1.822(11) . ?
P4 C55 1.830(12) . ?
P4 C49 1.835(10) . ?
O2 C61 1.146(14) . ?
F2 C2 1.350(12) . ?
F3 C3 1.344(13) . ?
F4 C4 1.356(13) . ?
F5 C5 1.351(12) . ?
F6 C6 1.356(13) . ?
F8 C8 1.360(12) . ?
F9 C9 1.361(13) . ?
F10 C10 1.319(13) . ?
F11 C11 1.362(12) . ?
F12 C12 1.367(12) . ?
C1 C2 1.367(15) . ?
C1 C6 1.389(14) . ?
C2 C3 1.412(15) . ?
C3 C4 1.365(17) . ?
C4 C5 1.340(17) . ?
C5 C6 1.402(15) . ?
C7 C12 1.385(16) . ?
C7 C8 1.383(15) . ?
C8 C9 1.397(16) . ?
C9 C10 1.391(17) . ?
C10 C11 1.353(16) . ?
C11 C12 1.387(16) . ?
C13 C18 1.378(15) . ?
C13 C14 1.386(15) . ?
C14 C15 1.382(18) . ?
C15 C16 1.343(19) . ?
C16 C17 1.425(18) . ?
C17 C18 1.355(15) . ?
C19 C24 1.354(15) . ?
C19 C20 1.374(16) . ?
C20 C21 1.351(15) . ?
C21 C22 1.379(17) . ?
C22 C23 1.373(17) . ?
C23 C24 1.388(15) . ?
C25 C26 1.404(15) . ?
C25 C30 1.406(15) . ?
C26 C27 1.385(16) . ?
C27 C28 1.368(17) . ?
C28 C29 1.376(17) . ?
C29 C30 1.379(15) . ?
C31 C36 1.358(15) . ?
C31 C32 1.376(14) . ?
C32 C33 1.406(15) . ?
C33 C34 1.372(16) . ?
C34 C35 1.369(16) . ?
C35 C36 1.394(14) . ?
C37 C42 1.364(15) . ?
C37 C38 1.416(17) . ?
C38 C39 1.399(17) . ?
C39 C40 1.395(19) . ?
C40 C41 1.35(2) . ?
C41 C42 1.427(19) . ?
C43 C48 1.389(14) . ?
C43 C44 1.400(14) . ?
C44 C45 1.379(15) . ?
C45 C46 1.355(16) . ?
C46 C47 1.405(16) . ?
C47 C48 1.385(13) . ?
C49 C50 1.375(15) . ?
C49 C54 1.404(14) . ?
C50 C51 1.367(16) . ?
C51 C52 1.367(17) . ?
C52 C53 1.363(18) . ?
C53 C54 1.369(16) . ?
C55 C56 1.360(15) . ?
C55 C60 1.402(14) . ?
C56 C57 1.405(15) . ?
C57 C58 1.339(16) . ?
C58 C59 1.419(17) . ?
C59 C60 1.335(16) . ?
C61 C62 1.50(2) . ?
C61 C63 1.55(2) . ?
O4 C64 1.255(19) . ?
C64 C65 1.40(2) . ?
C64 C66 1.49(2) . ?
O5 C67 1.15(3) . ?
C67 C69 1.50(3) . ?
C67 C68 1.65(3) . ?
O6 C70 1.10(3) . ?
C70 C71 1.47(3) . ?
C70 C72 1.52(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 C7 86.3(4) . . ?
C1 Pt1 P1 95.6(3) . . ?
C7 Pt1 P1 175.3(3) . . ?
C1 Pt1 P2 176.7(3) . . ?
C7 Pt1 P2 93.6(3) . . ?
P1 Pt1 P2 84.75(9) . . ?
O1 Pt2 P4 168.4(2) . . ?
O1 Pt2 P3 92.68(19) . . ?
P4 Pt2 P3 75.97(10) . . ?
O1 Pt2 P2 86.1(2) . . ?
P4 Pt2 P2 105.45(10) . . ?
P3 Pt2 P2 171.68(9) . . ?
O3 Pt3 O2 86.0(4) . . ?
O3 Pt3 P4 96.9(3) . . ?
O2 Pt3 P4 172.3(3) . . ?
O3 Pt3 P3 173.5(3) . . ?
O2 Pt3 P3 99.8(2) . . ?
P4 Pt3 P3 77.71(10) . . ?
O1 P1 C13 102.6(5) . . ?
O1 P1 C19 105.0(5) . . ?
C13 P1 C19 103.1(5) . . ?
O1 P1 Pt1 114.7(3) . . ?
C13 P1 Pt1 113.9(3) . . ?
C19 P1 Pt1 115.9(4) . . ?
C25 P2 C31 105.7(5) . . ?
C25 P2 Pt1 112.3(3) . . ?
C31 P2 Pt1 106.0(3) . . ?
C25 P2 Pt2 117.5(4) . . ?
C31 P2 Pt2 102.4(3) . . ?
Pt1 P2 Pt2 111.52(11) . . ?
C43 P3 C37 104.4(5) . . ?
C43 P3 Pt3 108.5(3) . . ?
C37 P3 Pt3 113.8(4) . . ?
C43 P3 Pt2 111.8(4) . . ?
C37 P3 Pt2 116.8(4) . . ?
Pt3 P3 Pt2 101.55(11) . . ?
C55 P4 C49 105.2(5) . . ?
C55 P4 Pt3 109.4(4) . . ?
C49 P4 Pt3 105.0(3) . . ?
C55 P4 Pt2 119.3(3) . . ?
C49 P4 Pt2 112.9(3) . . ?
Pt3 P4 Pt2 104.28(11) . . ?
P1 O1 Pt2 128.0(4) . . ?
C61 O2 Pt3 131.1(11) . . ?
C2 C1 C6 114.6(10) . . ?
C2 C1 Pt1 124.7(8) . . ?
C6 C1 Pt1 120.7(8) . . ?
F2 C2 C1 121.0(9) . . ?
F2 C2 C3 115.2(10) . . ?
C1 C2 C3 123.7(10) . . ?
F3 C3 C4 120.5(10) . . ?
F3 C3 C2 120.8(10) . . ?
C4 C3 C2 118.6(11) . . ?
C5 C4 F4 120.6(12) . . ?
C5 C4 C3 120.2(11) . . ?
F4 C4 C3 119.2(12) . . ?
C4 C5 F5 120.4(10) . . ?
C4 C5 C6 120.1(11) . . ?
F5 C5 C6 119.4(11) . . ?
F6 C6 C1 121.0(10) . . ?
F6 C6 C5 116.2(10) . . ?
C1 C6 C5 122.7(11) . . ?
C12 C7 C8 113.5(10) . . ?
C12 C7 Pt1 125.7(8) . . ?
C8 C7 Pt1 120.8(8) . . ?
F8 C8 C7 119.9(9) . . ?
F8 C8 C9 116.1(10) . . ?
C7 C8 C9 124.0(11) . . ?
F9 C9 C10 120.2(10) . . ?
F9 C9 C8 120.0(11) . . ?
C10 C9 C8 119.8(10) . . ?
F10 C10 C11 122.4(11) . . ?
F10 C10 C9 119.9(11) . . ?
C11 C10 C9 117.6(11) . . ?
C10 C11 F11 119.3(11) . . ?
C10 C11 C12 121.3(11) . . ?
F11 C11 C12 119.5(11) . . ?
F12 C12 C7 119.3(10) . . ?
F12 C12 C11 116.9(10) . . ?
C7 C12 C11 123.9(10) . . ?
C18 C13 C14 118.7(10) . . ?
C18 C13 P1 118.9(8) . . ?
C14 C13 P1 122.5(10) . . ?
C15 C14 C13 119.6(13) . . ?
C16 C15 C14 121.8(13) . . ?
C15 C16 C17 119.0(12) . . ?
C18 C17 C16 118.9(11) . . ?
C17 C18 C13 122.0(10) . . ?
C24 C19 C20 119.8(10) . . ?
C24 C19 P1 118.0(9) . . ?
C20 C19 P1 122.2(9) . . ?
C21 C20 C19 120.9(12) . . ?
C20 C21 C22 120.0(12) . . ?
C23 C22 C21 119.4(11) . . ?
C22 C23 C24 119.8(11) . . ?
C19 C24 C23 120.0(12) . . ?
C26 C25 C30 117.4(10) . . ?
C26 C25 P2 124.7(8) . . ?
C30 C25 P2 117.8(8) . . ?
C27 C26 C25 121.0(11) . . ?
C28 C27 C26 119.8(13) . . ?
C27 C28 C29 120.8(11) . . ?
C28 C29 C30 120.0(11) . . ?
C29 C30 C25 120.8(11) . . ?
C36 C31 C32 118.3(10) . . ?
C36 C31 P2 120.7(8) . . ?
C32 C31 P2 120.6(8) . . ?
C31 C32 C33 120.7(11) . . ?
C34 C33 C32 120.1(10) . . ?
C35 C34 C33 118.8(10) . . ?
C34 C35 C36 120.5(11) . . ?
C31 C36 C35 121.5(10) . . ?
C42 C37 C38 119.9(11) . . ?
C42 C37 P3 122.7(10) . . ?
C38 C37 P3 117.4(8) . . ?
C39 C38 C37 119.5(12) . . ?
C38 C39 C40 119.7(13) . . ?
C41 C40 C39 121.0(12) . . ?
C40 C41 C42 120.0(13) . . ?
C37 C42 C41 120.0(13) . . ?
C48 C43 C44 117.4(9) . . ?
C48 C43 P3 122.8(8) . . ?
C44 C43 P3 119.8(8) . . ?
C45 C44 C43 121.3(10) . . ?
C46 C45 C44 120.5(11) . . ?
C45 C46 C47 120.2(10) . . ?
C48 C47 C46 118.9(10) . . ?
C47 C48 C43 121.7(10) . . ?
C50 C49 C54 118.0(10) . . ?
C50 C49 P4 119.1(8) . . ?
C54 C49 P4 121.8(8) . . ?
C51 C50 C49 120.9(11) . . ?
C50 C51 C52 119.7(12) . . ?
C53 C52 C51 121.6(11) . . ?
C52 C53 C54 118.7(12) . . ?
C53 C54 C49 121.1(11) . . ?
C56 C55 C60 117.6(11) . . ?
C56 C55 P4 122.7(8) . . ?
C60 C55 P4 119.7(9) . . ?
C55 C56 C57 120.3(11) . . ?
C58 C57 C56 120.1(12) . . ?
C57 C58 C59 121.2(11) . . ?
C60 C59 C58 117.0(11) . . ?
C59 C60 C55 123.9(11) . . ?
O2 C61 C62 121.5(14) . . ?
O2 C61 C63 120.4(16) . . ?
C62 C61 C63 118.1(12) . . ?
O4 C64 C65 122.9(15) . . ?
O4 C64 C66 116.4(18) . . ?
C65 C64 C66 120.7(18) . . ?
O5 C67 C69 124(3) . . ?
O5 C67 C68 117(2) . . ?
C69 C67 C68 118(2) . . ?
O6 C70 C71 125(3) . . ?
O6 C70 C72 121(3) . . ?
C71 C70 C72 114(2) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         4.728
_refine_diff_density_min         -2.562
_refine_diff_density_rms         0.162
####################################################################### 
# 
# 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_ial282a
_database_code_depnum_ccdc_archive 'CCDC 1408929'
_audit_update_record             
;
2015-09-09 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C85 H62 F10 O P6 Pt3, 0.5(C3 H6 O)'
_chemical_formula_sum            'C86.50 H65 F10 O1.50 P6 Pt3'
_chemical_formula_weight         2089.47

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.2595(8)
_cell_length_b                   15.3410(9)
_cell_length_c                   21.3535(13)
_cell_angle_alpha                76.5992(8)
_cell_angle_beta                 83.0608(8)
_cell_angle_gamma                67.1476(8)
_cell_volume                     3891.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6366
_cell_measurement_theta_min      2.184
_cell_measurement_theta_max      21.987

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2020
_exptl_absorpt_coefficient_mu    5.574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4019
_exptl_absorpt_correction_T_max  0.8506
_exptl_absorpt_process_details   
; 
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999)
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29108
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_sigmaI/netI    0.1034
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.67
_diffrn_reflns_theta_max         25.00
_reflns_number_total             13584
_reflns_number_gt                9914
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 The lattice acetone molecule (O2, C86, C87, C88) showed some disorder 
 and has been refined with loose restraints in the atom distances (DFIX). 
 The ISOR restraint was applied to some of the atoms (F10, O2, C10, C13, 
 C19 and C87) in order to avoid unrealistic thermal parameters.
 
 At thre end of the refinement some residual peaks (max 3 e/Α3) are 
 observed, however they lie close to the metal atoms (closer than 1 Α). 
 They have no chemical sense and may be due to absorption effects.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0533P)²+12.0442P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13584
_refine_ls_number_parameters     982
_refine_ls_number_restraints     69
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0637
_refine_ls_wR_factor_ref         0.1456
_refine_ls_wR_factor_gt          0.1309
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.096
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.27295(4) 1.11597(4) 0.22276(2) 0.01564(13) Uani 1 1 d . . .
Pt2 Pt 0.46508(4) 0.86661(4) 0.27022(2) 0.01584(13) Uani 1 1 d . . .
Pt3 Pt 0.71946(4) 0.66443(4) 0.26511(2) 0.01797(13) Uani 1 1 d . . .
P1 P 0.2169(2) 0.9919(2) 0.22723(15) 0.0153(7) Uani 1 1 d . . .
P2 P 0.3865(2) 1.0139(2) 0.30535(15) 0.0169(7) Uani 1 1 d . . .
P3 P 0.5329(3) 0.7139(2) 0.24732(16) 0.0192(7) Uani 1 1 d . . .
P4 P 0.6432(3) 0.8215(2) 0.28441(15) 0.0179(7) Uani 1 1 d . . .
P5 P 0.8046(3) 0.5022(3) 0.25822(17) 0.0241(8) Uani 1 1 d . . .
P6 P 0.9078(3) 0.6195(2) 0.26874(15) 0.0180(7) Uani 1 1 d . . .
O1 O 0.3041(6) 0.8896(6) 0.2491(4) 0.021(2) Uani 1 1 d . . .
F2 F 0.0489(6) 1.3053(5) 0.1976(3) 0.0280(18) Uani 1 1 d . . .
F3 F -0.0508(6) 1.4173(6) 0.0894(4) 0.043(2) Uani 1 1 d . . .
F4 F 0.0301(7) 1.3725(7) -0.0272(4) 0.053(3) Uani 1 1 d . . .
F5 F 0.2167(7) 1.2149(6) -0.0341(3) 0.038(2) Uani 1 1 d . . .
F6 F 0.3223(6) 1.1055(5) 0.0727(3) 0.0255(17) Uani 1 1 d . . .
F8 F 0.2217(7) 1.2755(7) 0.3108(4) 0.044(2) Uani 1 1 d . . .
F9 F 0.2859(13) 1.4218(11) 0.3005(7) 0.135(7) Uani 1 1 d . . .
F10 F 0.4250(12) 1.4579(9) 0.2022(7) 0.097(4) Uani 1 1 d U . .
F11 F 0.4938(8) 1.3467(8) 0.1118(5) 0.064(3) Uani 1 1 d . . .
F12 F 0.4332(6) 1.1982(6) 0.1222(3) 0.0278(18) Uani 1 1 d . . .
C1 C 0.1871(10) 1.2011(9) 0.1401(6) 0.023(3) Uani 1 1 d . . .
C2 C 0.0938(10) 1.2799(10) 0.1407(6) 0.021(3) Uani 1 1 d . . .
C3 C 0.0393(10) 1.3364(10) 0.0865(7) 0.032(4) Uani 1 1 d . . .
C4 C 0.0809(12) 1.3139(12) 0.0271(7) 0.036(4) Uani 1 1 d . . .
C5 C 0.1741(11) 1.2369(11) 0.0237(6) 0.027(3) Uani 1 1 d . . .
C6 C 0.2289(10) 1.1794(10) 0.0799(6) 0.023(3) Uani 1 1 d . . .
C7 C 0.3236(10) 1.2280(10) 0.2172(6) 0.026(3) Uani 1 1 d . . .
C8 C 0.2920(13) 1.2895(12) 0.2604(7) 0.039(4) Uani 1 1 d . . .
C9 C 0.3213(16) 1.3648(14) 0.2559(10) 0.065(6) Uani 1 1 d . . .
C10 C 0.3903(17) 1.3847(14) 0.2060(10) 0.062(5) Uani 1 1 d U . .
C11 C 0.4267(14) 1.3281(12) 0.1613(8) 0.043(4) Uani 1 1 d . . .
C12 C 0.3914(11) 1.2545(10) 0.1684(6) 0.026(3) Uani 1 1 d . . .
C13 C 0.1747(10) 0.9907(9) 0.1485(6) 0.018(3) Uani 1 1 d U . .
C14 C 0.0716(10) 1.0525(10) 0.1258(6) 0.024(3) Uani 1 1 d . . .
H14 H 0.0175 1.0885 0.1533 0.029 Uiso 1 1 calc R . .
C15 C 0.0494(11) 1.0607(10) 0.0626(6) 0.026(3) Uani 1 1 d . . .
H15 H -0.0200 1.1035 0.0462 0.031 Uiso 1 1 calc R . .
C16 C 0.1278(11) 1.0066(10) 0.0230(6) 0.027(3) Uani 1 1 d . . .
H16 H 0.1110 1.0118 -0.0200 0.033 Uiso 1 1 calc R . .
C17 C 0.2291(11) 0.9459(9) 0.0453(6) 0.022(3) Uani 1 1 d . . .
H17 H 0.2826 0.9099 0.0176 0.027 Uiso 1 1 calc R . .
C18 C 0.2536(10) 0.9372(9) 0.1090(6) 0.021(3) Uani 1 1 d . . .
H18 H 0.3236 0.8950 0.1249 0.025 Uiso 1 1 calc R . .
C19 C 0.0967(9) 0.9962(9) 0.2792(5) 0.015(3) Uani 1 1 d U . .
C20 C 0.0147(10) 1.0824(9) 0.2875(6) 0.020(3) Uani 1 1 d . . .
H20 H 0.0209 1.1419 0.2663 0.024 Uiso 1 1 calc R . .
C21 C -0.0778(10) 1.0823(10) 0.3272(7) 0.028(3) Uani 1 1 d . . .
H21 H -0.1360 1.1414 0.3314 0.033 Uiso 1 1 calc R . .
C22 C -0.0830(11) 0.9976(10) 0.3593(6) 0.027(3) Uani 1 1 d . . .
H22 H -0.1446 0.9979 0.3872 0.032 Uiso 1 1 calc R . .
C23 C -0.0034(11) 0.9122(11) 0.3531(6) 0.029(3) Uani 1 1 d . . .
H23 H -0.0103 0.8537 0.3759 0.034 Uiso 1 1 calc R . .
C24 C 0.0891(11) 0.9095(10) 0.3134(6) 0.025(3) Uani 1 1 d . . .
H24 H 0.1460 0.8496 0.3096 0.030 Uiso 1 1 calc R . .
C25 C 0.4723(9) 1.0636(9) 0.3333(6) 0.017(3) Uani 1 1 d . . .
C26 C 0.4724(10) 1.0713(10) 0.3983(6) 0.025(3) Uani 1 1 d . . .
H26 H 0.4269 1.0477 0.4297 0.029 Uiso 1 1 calc R . .
C27 C 0.5375(10) 1.1125(9) 0.4173(6) 0.024(3) Uani 1 1 d U . .
H27 H 0.5368 1.1169 0.4610 0.029 Uiso 1 1 calc R . .
C28 C 0.6026(10) 1.1468(10) 0.3717(7) 0.028(3) Uani 1 1 d . . .
H28 H 0.6475 1.1746 0.3844 0.034 Uiso 1 1 calc R . .
C29 C 0.6045(10) 1.1420(10) 0.3083(6) 0.024(3) Uani 1 1 d . . .
H29 H 0.6494 1.1670 0.2774 0.029 Uiso 1 1 calc R . .
C30 C 0.5402(10) 1.1002(10) 0.2898(6) 0.024(3) Uani 1 1 d . . .
H30 H 0.5425 1.0963 0.2459 0.029 Uiso 1 1 calc R . .
C31 C 0.3094(9) 0.9816(8) 0.3789(5) 0.014(3) Uani 1 1 d U . .
C32 C 0.2070(9) 1.0448(9) 0.3945(6) 0.018(3) Uani 1 1 d . . .
H32 H 0.1768 1.1078 0.3688 0.022 Uiso 1 1 calc R . .
C33 C 0.1489(11) 1.0152(10) 0.4481(6) 0.026(3) Uani 1 1 d . . .
H33 H 0.0789 1.0590 0.4591 0.032 Uiso 1 1 calc R . .
C34 C 0.1905(11) 0.9237(10) 0.4858(6) 0.026(3) Uani 1 1 d . . .
H34 H 0.1487 0.9043 0.5217 0.031 Uiso 1 1 calc R . .
C35 C 0.2936(11) 0.8601(11) 0.4710(6) 0.027(3) Uani 1 1 d . . .
H35 H 0.3229 0.7973 0.4971 0.032 Uiso 1 1 calc R . .
C36 C 0.3538(10) 0.8879(9) 0.4182(5) 0.016(3) Uani 1 1 d U . .
H36 H 0.4246 0.8445 0.4083 0.019 Uiso 1 1 calc R . .
C37 C 0.5101(10) 0.7146(8) 0.1638(6) 0.019(3) Uani 1 1 d . . .
C38 C 0.5604(11) 0.7626(10) 0.1149(6) 0.027(3) Uani 1 1 d . . .
H38 H 0.6079 0.7903 0.1249 0.033 Uiso 1 1 calc R . .
C39 C 0.5401(12) 0.7697(12) 0.0505(7) 0.037(4) Uani 1 1 d . . .
H39 H 0.5702 0.8057 0.0168 0.044 Uiso 1 1 calc R . .
C40 C 0.4765(13) 0.7245(11) 0.0362(7) 0.039(4) Uani 1 1 d . . .
H40 H 0.4679 0.7253 -0.0075 0.047 Uiso 1 1 calc R . .
C41 C 0.4257(12) 0.6785(11) 0.0841(7) 0.039(4) Uani 1 1 d . . .
H41 H 0.3799 0.6499 0.0734 0.046 Uiso 1 1 calc R . .
C42 C 0.4408(11) 0.6731(9) 0.1495(6) 0.026(3) Uani 1 1 d . . .
H42 H 0.4047 0.6420 0.1829 0.032 Uiso 1 1 calc R . .
C43 C 0.4688(10) 0.6358(11) 0.2986(6) 0.028(3) Uani 1 1 d . . .
C44 C 0.3778(11) 0.6761(10) 0.3375(7) 0.029(3) Uani 1 1 d . . .
H44 H 0.3492 0.7437 0.3361 0.035 Uiso 1 1 calc R . .
C45 C 0.3279(12) 0.6172(11) 0.3789(7) 0.038(4) Uani 1 1 d . . .
H45 H 0.2662 0.6444 0.4056 0.045 Uiso 1 1 calc R . .
C46 C 0.3698(13) 0.5203(12) 0.3799(9) 0.050(5) Uani 1 1 d . . .
H46 H 0.3356 0.4805 0.4069 0.060 Uiso 1 1 calc R . .
C47 C 0.4605(13) 0.4792(12) 0.3426(9) 0.052(5) Uani 1 1 d . . .
H47 H 0.4899 0.4114 0.3449 0.062 Uiso 1 1 calc R . .
C48 C 0.5091(11) 0.5382(10) 0.3014(7) 0.031(3) Uani 1 1 d . . .
H48 H 0.5708 0.5102 0.2749 0.038 Uiso 1 1 calc R . .
C49 C 0.7026(9) 0.9020(9) 0.2322(5) 0.015(3) Uani 1 1 d . . .
C50 C 0.6477(11) 0.9614(11) 0.1767(6) 0.027(3) Uani 1 1 d . . .
H50 H 0.5813 0.9581 0.1670 0.032 Uiso 1 1 calc R . .
C51 C 0.6893(10) 1.0253(11) 0.1355(7) 0.030(3) Uani 1 1 d . . .
H51 H 0.6514 1.0660 0.0981 0.035 Uiso 1 1 calc R . .
C52 C 0.7858(12) 1.0287(11) 0.1497(6) 0.032(3) Uani 1 1 d . . .
H52 H 0.8133 1.0735 0.1224 0.038 Uiso 1 1 calc R . .
C53 C 0.8448(12) 0.9675(10) 0.2036(7) 0.032(3) Uani 1 1 d . . .
H53 H 0.9129 0.9690 0.2119 0.038 Uiso 1 1 calc R . .
C54 C 0.8026(10) 0.9049(10) 0.2445(6) 0.023(3) Uani 1 1 d . . .
H54 H 0.8417 0.8635 0.2814 0.028 Uiso 1 1 calc R . .
C55 C 0.6723(10) 0.8119(9) 0.3681(6) 0.018(3) Uani 1 1 d . . .
C56 C 0.7019(10) 0.8771(9) 0.3903(6) 0.020(3) Uani 1 1 d U . .
H56 H 0.7092 0.9313 0.3607 0.024 Uiso 1 1 calc R . .
C57 C 0.7209(10) 0.8635(9) 0.4557(6) 0.023(3) Uani 1 1 d . . .
H57 H 0.7417 0.9077 0.4705 0.028 Uiso 1 1 calc R . .
C58 C 0.7090(10) 0.7849(10) 0.4982(6) 0.027(3) Uani 1 1 d . . .
H58 H 0.7239 0.7745 0.5423 0.033 Uiso 1 1 calc R . .
C59 C 0.6759(11) 0.7207(11) 0.4780(6) 0.030(3) Uani 1 1 d . . .
H59 H 0.6648 0.6686 0.5080 0.036 Uiso 1 1 calc R . .
C60 C 0.6595(10) 0.7347(10) 0.4128(6) 0.024(3) Uani 1 1 d . . .
H60 H 0.6389 0.6901 0.3983 0.029 Uiso 1 1 calc R . .
C61 C 0.7717(10) 0.4393(12) 0.2069(7) 0.035(4) Uani 1 1 d . . .
C62 C 0.7167(12) 0.4894(13) 0.1523(8) 0.050(5) Uani 1 1 d . . .
H62 H 0.6960 0.5575 0.1408 0.060 Uiso 1 1 calc R . .
C63 C 0.6899(14) 0.4392(18) 0.1118(10) 0.076(7) Uani 1 1 d . . .
H63 H 0.6498 0.4727 0.0739 0.091 Uiso 1 1 calc R . .
C64 C 0.7249(14) 0.3407(16) 0.1305(12) 0.071(7) Uani 1 1 d . . .
H64 H 0.7086 0.3072 0.1034 0.085 Uiso 1 1 calc R . .
C65 C 0.7797(15) 0.2879(14) 0.1832(10) 0.057(5) Uani 1 1 d . . .
H65 H 0.8029 0.2195 0.1933 0.069 Uiso 1 1 calc R . .
C66 C 0.8008(14) 0.3381(12) 0.2222(9) 0.049(5) Uani 1 1 d . . .
H66 H 0.8367 0.3031 0.2613 0.059 Uiso 1 1 calc R . .
C67 C 0.8251(10) 0.4227(9) 0.3374(7) 0.026(3) Uani 1 1 d . . .
C68 C 0.7440(12) 0.4442(11) 0.3854(7) 0.034(4) Uani 1 1 d . . .
H68 H 0.6797 0.5008 0.3771 0.040 Uiso 1 1 calc R . .
C69 C 0.7574(13) 0.3827(11) 0.4453(7) 0.039(4) Uani 1 1 d . . .
H69 H 0.7003 0.3962 0.4773 0.047 Uiso 1 1 calc R . .
C70 C 0.8516(13) 0.3028(12) 0.4591(8) 0.043(4) Uani 1 1 d . . .
H70 H 0.8596 0.2616 0.5005 0.052 Uiso 1 1 calc R . .
C71 C 0.9359(12) 0.2822(10) 0.4123(7) 0.035(4) Uani 1 1 d . . .
H71 H 1.0018 0.2276 0.4218 0.042 Uiso 1 1 calc R . .
C72 C 0.9224(12) 0.3420(11) 0.3519(8) 0.040(4) Uani 1 1 d . . .
H72 H 0.9797 0.3284 0.3199 0.048 Uiso 1 1 calc R . .
C73 C 0.9371(10) 0.5119(9) 0.2336(6) 0.018(3) Uani 1 1 d . . .
H73A H 0.9490 0.5249 0.1863 0.022 Uiso 1 1 calc R . .
H73B H 0.9991 0.4549 0.2539 0.022 Uiso 1 1 calc R . .
C74 C 0.9757(10) 0.5822(10) 0.3443(6) 0.026(3) Uani 1 1 d . . .
C75 C 0.9493(10) 0.6494(10) 0.3837(6) 0.023(3) Uani 1 1 d . . .
H75 H 0.8920 0.7105 0.3723 0.028 Uiso 1 1 calc R . .
C76 C 1.0052(11) 0.6281(10) 0.4387(6) 0.030(3) Uani 1 1 d . . .
H76 H 0.9871 0.6750 0.4647 0.036 Uiso 1 1 calc R . .
C77 C 1.0866(12) 0.5400(11) 0.4563(6) 0.032(3) Uani 1 1 d . . .
H77 H 1.1253 0.5258 0.4943 0.038 Uiso 1 1 calc R . .
C78 C 1.1127(12) 0.4717(11) 0.4188(7) 0.039(4) Uani 1 1 d . . .
H78 H 1.1685 0.4100 0.4316 0.047 Uiso 1 1 calc R . .
C79 C 1.0576(11) 0.4926(10) 0.3622(7) 0.033(4) Uani 1 1 d . . .
H79 H 1.0763 0.4457 0.3362 0.040 Uiso 1 1 calc R . .
C80 C 0.9782(11) 0.6898(9) 0.2166(6) 0.022(3) Uani 1 1 d . . .
C81 C 0.9364(11) 0.7362(10) 0.1543(6) 0.030(3) Uani 1 1 d . . .
H81 H 0.8718 0.7321 0.1425 0.036 Uiso 1 1 calc R . .
C82 C 0.9890(13) 0.7869(11) 0.1113(6) 0.038(4) Uani 1 1 d . . .
H82 H 0.9630 0.8154 0.0689 0.045 Uiso 1 1 calc R . .
C83 C 1.0793(12) 0.7966(11) 0.1293(7) 0.037(4) Uani 1 1 d . . .
H83 H 1.1142 0.8331 0.0992 0.044 Uiso 1 1 calc R . .
C84 C 1.1210(12) 0.7548(11) 0.1899(7) 0.038(4) Uani 1 1 d . . .
H84 H 1.1836 0.7624 0.2014 0.045 Uiso 1 1 calc R . .
C85 C 1.0695(11) 0.7010(10) 0.2341(6) 0.026(3) Uani 1 1 d . . .
H85 H 1.0969 0.6722 0.2761 0.031 Uiso 1 1 calc R . .
O2 O 0.296(2) 0.551(2) 0.0460(14) 0.078(8) Uani 0.50 1 d PDU . .
C86 C 0.243(3) 0.500(2) 0.0658(14) 0.044(9) Uani 0.50 1 d PD . .
C87 C 0.169(3) 0.509(2) 0.1223(15) 0.048(9) Uani 0.50 1 d PDU . .
H87A H 0.1653 0.5641 0.1396 0.072 Uiso 0.50 1 calc PR . .
H87B H 0.1958 0.4497 0.1553 0.072 Uiso 0.50 1 calc PR . .
H87C H 0.0955 0.5191 0.1103 0.072 Uiso 0.50 1 calc PR . .
C88 C 0.2507(19) 0.4277(16) 0.0335(11) 0.014(5) Uani 0.50 1 d PDU . .
H88A H 0.3033 0.4268 -0.0030 0.021 Uiso 0.50 1 calc PR . .
H88B H 0.1788 0.4408 0.0177 0.021 Uiso 0.50 1 calc PR . .
H88C H 0.2755 0.3649 0.0632 0.021 Uiso 0.50 1 calc PR . .


_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 2.050(14) . ?
Pt1 C1 2.093(12) . ?
Pt1 P1 2.275(3) . ?
Pt1 P2 2.315(3) . ?
Pt2 O1 2.112(8) . ?
Pt2 P4 2.226(3) . ?
Pt2 P3 2.307(3) . ?
Pt2 P2 2.350(3) . ?
Pt3 P6 2.324(3) . ?
Pt3 P5 2.332(4) . ?
Pt3 P4 2.338(3) . ?
Pt3 P3 2.340(3) . ?
P1 O1 1.549(9) . ?
P1 C19 1.818(12) . ?
P1 C13 1.841(12) . ?
P2 C25 1.811(12) . ?
P2 C31 1.846(12) . ?
P3 C43 1.821(14) . ?
P3 C37 1.842(12) . ?
P4 C49 1.815(12) . ?
P4 C55 1.835(12) . ?
P5 C61 1.804(16) . ?
P5 C67 1.821(14) . ?
P5 C73 1.824(12) . ?
P6 C80 1.802(13) . ?
P6 C74 1.807(14) . ?
P6 C73 1.855(12) . ?
F2 C2 1.360(13) . ?
F3 C3 1.356(14) . ?
F4 C4 1.356(16) . ?
F5 C5 1.354(14) . ?
F6 C6 1.337(14) . ?
F8 C8 1.371(15) . ?
F9 C9 1.361(17) . ?
F10 C10 1.35(2) . ?
F11 C11 1.349(15) . ?
F12 C12 1.386(14) . ?
C1 C2 1.354(17) . ?
C1 C6 1.398(17) . ?
C2 C3 1.365(18) . ?
C3 C4 1.38(2) . ?
C4 C5 1.346(19) . ?
C5 C6 1.402(18) . ?
C7 C12 1.385(17) . ?
C7 C8 1.386(18) . ?
C8 C9 1.34(2) . ?
C9 C10 1.38(2) . ?
C10 C11 1.36(2) . ?
C11 C12 1.354(19) . ?
C13 C18 1.387(17) . ?
C13 C14 1.394(17) . ?
C14 C15 1.384(17) . ?
C15 C16 1.387(18) . ?
C16 C17 1.369(18) . ?
C17 C18 1.401(17) . ?
C19 C20 1.380(16) . ?
C19 C24 1.396(17) . ?
C20 C21 1.405(18) . ?
C21 C22 1.345(19) . ?
C22 C23 1.348(18) . ?
C23 C24 1.397(18) . ?
C25 C30 1.392(16) . ?
C25 C26 1.420(16) . ?
C26 C27 1.390(18) . ?
C27 C28 1.372(18) . ?
C28 C29 1.368(17) . ?
C29 C30 1.386(18) . ?
C31 C32 1.382(16) . ?
C31 C36 1.421(16) . ?
C32 C33 1.388(16) . ?
C33 C34 1.381(19) . ?
C34 C35 1.387(19) . ?
C35 C36 1.383(16) . ?
C37 C38 1.391(17) . ?
C37 C42 1.398(18) . ?
C38 C39 1.404(19) . ?
C39 C40 1.38(2) . ?
C40 C41 1.37(2) . ?
C41 C42 1.413(19) . ?
C43 C48 1.370(19) . ?
C43 C44 1.395(18) . ?
C44 C45 1.411(19) . ?
C45 C46 1.37(2) . ?
C46 C47 1.37(2) . ?
C47 C48 1.398(19) . ?
C49 C50 1.400(18) . ?
C49 C54 1.401(16) . ?
C50 C51 1.394(18) . ?
C51 C52 1.374(19) . ?
C52 C53 1.40(2) . ?
C53 C54 1.382(18) . ?
C55 C60 1.392(17) . ?
C55 C56 1.394(17) . ?
C56 C57 1.402(17) . ?
C57 C58 1.382(18) . ?
C58 C59 1.39(2) . ?
C59 C60 1.389(17) . ?
C61 C62 1.35(2) . ?
C61 C66 1.41(2) . ?
C62 C63 1.43(2) . ?
C63 C64 1.37(3) . ?
C64 C65 1.33(3) . ?
C65 C66 1.37(2) . ?
C67 C68 1.389(19) . ?
C67 C72 1.404(18) . ?
C68 C69 1.39(2) . ?
C69 C70 1.37(2) . ?
C70 C71 1.40(2) . ?
C71 C72 1.38(2) . ?
C74 C79 1.383(17) . ?
C74 C75 1.393(18) . ?
C75 C76 1.371(18) . ?
C76 C77 1.365(19) . ?
C77 C78 1.38(2) . ?
C78 C79 1.40(2) . ?
C80 C85 1.392(18) . ?
C80 C81 1.420(17) . ?
C81 C82 1.368(18) . ?
C82 C83 1.37(2) . ?
C83 C84 1.38(2) . ?
C84 C85 1.400(18) . ?
O2 C86 1.23(3) . ?
C86 C88 1.40(3) . ?
C86 C87 1.46(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
C7 Pt1 C1 84.6(5) . . ?
C7 Pt1 P1 179.1(4) . . ?
C1 Pt1 P1 94.7(4) . . ?
C7 Pt1 P2 95.2(4) . . ?
C1 Pt1 P2 172.7(4) . . ?
P1 Pt1 P2 85.49(11) . . ?
O1 Pt2 P4 170.4(2) . . ?
O1 Pt2 P3 92.1(2) . . ?
P4 Pt2 P3 78.63(12) . . ?
O1 Pt2 P2 85.9(2) . . ?
P4 Pt2 P2 103.58(12) . . ?
P3 Pt2 P2 172.88(11) . . ?
P6 Pt3 P5 71.11(12) . . ?
P6 Pt3 P4 105.54(12) . . ?
P5 Pt3 P4 173.01(12) . . ?
P6 Pt3 P3 172.78(11) . . ?
P5 Pt3 P3 108.35(12) . . ?
P4 Pt3 P3 75.77(12) . . ?
O1 P1 C19 105.6(5) . . ?
O1 P1 C13 104.8(5) . . ?
C19 P1 C13 103.1(5) . . ?
O1 P1 Pt1 115.3(3) . . ?
C19 P1 Pt1 114.5(4) . . ?
C13 P1 Pt1 112.4(4) . . ?
C25 P2 C31 103.4(5) . . ?
C25 P2 Pt1 115.0(4) . . ?
C31 P2 Pt1 112.5(4) . . ?
C25 P2 Pt2 120.4(4) . . ?
C31 P2 Pt2 101.6(4) . . ?
Pt1 P2 Pt2 103.42(12) . . ?
C43 P3 C37 106.1(6) . . ?
C43 P3 Pt2 112.0(5) . . ?
C37 P3 Pt2 112.8(4) . . ?
C43 P3 Pt3 113.3(4) . . ?
C37 P3 Pt3 111.3(4) . . ?
Pt2 P3 Pt3 101.49(13) . . ?
C49 P4 C55 108.6(6) . . ?
C49 P4 Pt2 112.8(4) . . ?
C55 P4 Pt2 112.2(4) . . ?
C49 P4 Pt3 112.8(4) . . ?
C55 P4 Pt3 106.2(4) . . ?
Pt2 P4 Pt3 104.06(14) . . ?
C61 P5 C67 105.6(7) . . ?
C61 P5 C73 110.4(6) . . ?
C67 P5 C73 105.0(6) . . ?
C61 P5 Pt3 128.0(5) . . ?
C67 P5 Pt3 112.0(5) . . ?
C73 P5 Pt3 93.4(4) . . ?
C80 P6 C74 104.1(6) . . ?
C80 P6 C73 105.9(6) . . ?
C74 P6 C73 109.2(6) . . ?
C80 P6 Pt3 121.1(4) . . ?
C74 P6 Pt3 121.6(4) . . ?
C73 P6 Pt3 92.8(4) . . ?
P1 O1 Pt2 122.4(5) . . ?
C2 C1 C6 116.8(11) . . ?
C2 C1 Pt1 123.8(9) . . ?
C6 C1 Pt1 119.4(9) . . ?
C1 C2 F2 119.8(11) . . ?
C1 C2 C3 123.5(12) . . ?
F2 C2 C3 116.7(11) . . ?
F3 C3 C2 121.1(13) . . ?
F3 C3 C4 119.4(12) . . ?
C2 C3 C4 119.3(12) . . ?
C5 C4 F4 120.8(13) . . ?
C5 C4 C3 119.6(13) . . ?
F4 C4 C3 119.5(13) . . ?
C4 C5 F5 120.3(12) . . ?
C4 C5 C6 120.5(12) . . ?
F5 C5 C6 119.2(12) . . ?
F6 C6 C1 122.5(11) . . ?
F6 C6 C5 117.2(11) . . ?
C1 C6 C5 120.4(12) . . ?
C12 C7 C8 110.7(13) . . ?
C12 C7 Pt1 124.5(9) . . ?
C8 C7 Pt1 124.7(10) . . ?
C9 C8 F8 116.3(13) . . ?
C9 C8 C7 125.2(14) . . ?
F8 C8 C7 118.5(12) . . ?
C8 C9 F9 121.2(15) . . ?
C8 C9 C10 119.9(15) . . ?
F9 C9 C10 118.9(15) . . ?
F10 C10 C11 119.7(17) . . ?
F10 C10 C9 120.8(16) . . ?
C11 C10 C9 119.5(16) . . ?
F11 C11 C12 122.4(13) . . ?
F11 C11 C10 120.5(14) . . ?
C12 C11 C10 117.1(14) . . ?
C11 C12 C7 127.6(12) . . ?
C11 C12 F12 114.4(12) . . ?
C7 C12 F12 117.9(12) . . ?
C18 C13 C14 121.0(12) . . ?
C18 C13 P1 117.7(9) . . ?
C14 C13 P1 120.7(9) . . ?
C15 C14 C13 118.8(12) . . ?
C14 C15 C16 120.4(13) . . ?
C17 C16 C15 120.8(12) . . ?
C16 C17 C18 119.7(12) . . ?
C13 C18 C17 119.3(12) . . ?
C20 C19 C24 119.2(11) . . ?
C20 C19 P1 122.1(9) . . ?
C24 C19 P1 118.7(9) . . ?
C19 C20 C21 120.2(12) . . ?
C22 C21 C20 119.2(13) . . ?
C21 C22 C23 122.0(13) . . ?
C22 C23 C24 120.3(14) . . ?
C19 C24 C23 119.0(13) . . ?
C30 C25 C26 116.3(12) . . ?
C30 C25 P2 120.0(9) . . ?
C26 C25 P2 123.7(10) . . ?
C27 C26 C25 121.6(12) . . ?
C28 C27 C26 118.8(12) . . ?
C29 C28 C27 121.8(13) . . ?
C28 C29 C30 119.1(12) . . ?
C29 C30 C25 122.3(11) . . ?
C32 C31 C36 119.6(11) . . ?
C32 C31 P2 121.3(9) . . ?
C36 C31 P2 119.1(8) . . ?
C31 C32 C33 119.3(12) . . ?
C34 C33 C32 121.4(13) . . ?
C33 C34 C35 119.7(12) . . ?
C36 C35 C34 120.1(13) . . ?
C35 C36 C31 119.8(11) . . ?
C38 C37 C42 120.9(12) . . ?
C38 C37 P3 117.2(10) . . ?
C42 C37 P3 121.8(10) . . ?
C37 C38 C39 119.0(13) . . ?
C40 C39 C38 120.2(13) . . ?
C41 C40 C39 120.7(13) . . ?
C40 C41 C42 120.7(14) . . ?
C37 C42 C41 118.3(13) . . ?
C48 C43 C44 119.0(13) . . ?
C48 C43 P3 121.9(10) . . ?
C44 C43 P3 119.0(11) . . ?
C43 C44 C45 120.4(13) . . ?
C46 C45 C44 118.9(14) . . ?
C45 C46 C47 121.5(15) . . ?
C46 C47 C48 119.3(15) . . ?
C43 C48 C47 120.9(13) . . ?
C50 C49 C54 119.0(12) . . ?
C50 C49 P4 118.5(9) . . ?
C54 C49 P4 122.5(9) . . ?
C51 C50 C49 120.7(12) . . ?
C52 C51 C50 119.1(13) . . ?
C51 C52 C53 121.5(14) . . ?
C54 C53 C52 119.0(14) . . ?
C53 C54 C49 120.7(12) . . ?
C60 C55 C56 118.3(11) . . ?
C60 C55 P4 116.3(10) . . ?
C56 C55 P4 125.4(10) . . ?
C55 C56 C57 120.7(12) . . ?
C58 C57 C56 119.1(13) . . ?
C57 C58 C59 121.5(12) . . ?
C58 C59 C60 118.3(13) . . ?
C59 C60 C55 122.0(13) . . ?
C62 C61 C66 118.2(16) . . ?
C62 C61 P5 120.0(13) . . ?
C66 C61 P5 121.8(13) . . ?
C61 C62 C63 119.9(19) . . ?
C64 C63 C62 117(2) . . ?
C65 C64 C63 126(2) . . ?
C64 C65 C66 116(2) . . ?
C65 C66 C61 123.1(19) . . ?
C68 C67 C72 119.0(13) . . ?
C68 C67 P5 119.2(10) . . ?
C72 C67 P5 121.7(10) . . ?
C69 C68 C67 119.8(14) . . ?
C70 C69 C68 121.1(14) . . ?
C69 C70 C71 119.9(14) . . ?
C72 C71 C70 119.4(14) . . ?
C71 C72 C67 120.7(13) . . ?
P5 C73 P6 94.8(5) . . ?
C79 C74 C75 119.0(13) . . ?
C79 C74 P6 122.6(11) . . ?
C75 C74 P6 118.2(10) . . ?
C76 C75 C74 120.7(13) . . ?
C77 C76 C75 120.4(13) . . ?
C76 C77 C78 120.0(13) . . ?
C77 C78 C79 120.3(13) . . ?
C74 C79 C78 119.5(14) . . ?
C85 C80 C81 119.0(12) . . ?
C85 C80 P6 123.9(9) . . ?
C81 C80 P6 117.1(10) . . ?
C82 C81 C80 120.1(13) . . ?
C81 C82 C83 120.0(13) . . ?
C82 C83 C84 121.8(14) . . ?
C83 C84 C85 119.0(14) . . ?
C80 C85 C84 120.1(12) . . ?
O2 C86 C88 120(3) . . ?
O2 C86 C87 124(3) . . ?
C88 C86 C87 116(3) . . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         3.083
_refine_diff_density_min         -2.193
_refine_diff_density_rms         0.243
####################################################################### 
# 
# 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_ial289sq
_database_code_depnum_ccdc_archive 'CCDC 1408930'
_audit_update_record             
;
2015-09-09 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C85 H62 Ag  Cl F10 O5 P6 Pt3), C H2 Cl2, 8(C6 H14)'
_chemical_formula_sum            'C109.50 H119 Ag Cl2 F10 O5 P6 Pt3'
_chemical_formula_weight         2654.91

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1168(7)
_cell_length_b                   19.3240(10)
_cell_length_c                   19.3754(10)
_cell_angle_alpha                81.8870(10)
_cell_angle_beta                 73.1160(10)
_cell_angle_gamma                82.8390(10)
_cell_volume                     4987.5(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9902
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      28.20

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2622
_exptl_absorpt_coefficient_mu    4.611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6310
_exptl_absorpt_correction_T_max  0.8022
_exptl_absorpt_process_details   
; 
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            37463
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_sigmaI/netI    0.0722
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             17412
_reflns_number_gt                13536
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Residual density peaks have been modelled as lattice CH2Cl2 and refined 
 at 0.5 occupancy with restraints (DFIX).

 There remained very large solvent accessible VOIDS in the structure, 
 therefore SQUEEZE corrections have been applied.  The total potential 
 solvent accesible void volume (1212.8 Α3) and the electron count 
 (340 e in the unit cell) agree with the presence of 8 hexane 
 molecules (C6 H14) per unit cell (4 hexane molecules in the asymmetric 
 unit). They have been included in the chemical formula, 
 F00 and density. Results of the SQUEEZE calculations are included in 
 this cif file. 

 Two of the oxygen atoms of the perchlorate group (O3 and O4) had 
 large thermal parameters and have been refined as disordered over two 
 positions.  The ISOR reatraint has been applied.

 A few C atoms had large displacement parameters. Attempts to refine 
 them as disordered were unsuccesful. Instead theISOR retraint was applied. 

 At thre end of the refinement some residual peaks of about 7 to 1 e/Α3 
 are observed, however they lie close to the metal atoms (closer than 1 Α). 
 They have no chemical sense and may be due to absorption effects.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 7 0 ' '
2 -0.028 0.253 0.750 583 170 ' '
3 -0.071 0.747 0.250 583 170 ' '
4 0.500 1.000 0.000 15 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
 The unit cell contains 8 hexane molecules which have been treated as a 
 diffuse contribution to the overall scattering without specific atom positions
 by SQUEEZE/PLATON
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0697P)²+52.2858P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17412
_refine_ls_number_parameters     1049
_refine_ls_number_restraints     75
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0701
_refine_ls_wR_factor_ref         0.1706
_refine_ls_wR_factor_gt          0.1627
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.50233(3) 0.18235(2) 0.13091(3) 0.02583(12) Uani 1 1 d . . .
Pt2 Pt 0.70689(3) 0.20603(2) 0.20926(3) 0.02569(13) Uani 1 1 d . . .
Pt3 Pt 0.81739(4) 0.28368(3) 0.32101(3) 0.03122(14) Uani 1 1 d . . .
Ag Ag 0.53361(8) 0.29449(5) 0.19292(7) 0.0461(3) Uani 1 1 d . . .
Cl1 Cl 0.4741(3) 0.4454(2) 0.2584(2) 0.0585(11) Uani 1 1 d . . .
P1 P 0.6509(2) 0.21638(16) 0.05519(17) 0.0288(7) Uani 1 1 d . . .
P2 P 0.5955(2) 0.12611(16) 0.20682(18) 0.0278(7) Uani 1 1 d . . .
P3 P 0.8371(2) 0.27322(16) 0.19946(19) 0.0304(7) Uani 1 1 d . . .
P4 P 0.7160(2) 0.19537(16) 0.32471(17) 0.0299(7) Uani 1 1 d . . .
P5 P 0.9057(3) 0.37690(18) 0.3253(2) 0.0386(8) Uani 1 1 d . . .
P6 P 0.8162(3) 0.2878(2) 0.4409(2) 0.0428(9) Uani 1 1 d . . .
F2 F 0.4181(6) 0.3470(4) 0.1004(4) 0.047(2) Uani 1 1 d . . .
F3 F 0.3152(7) 0.4098(4) 0.0097(5) 0.061(3) Uani 1 1 d . . .
F5 F 0.2962(8) 0.1932(5) -0.0664(6) 0.076(3) Uani 1 1 d . . .
F4 F 0.2508(9) 0.3355(5) -0.0734(6) 0.090(4) Uani 1 1 d . . .
F6 F 0.4044(6) 0.1297(4) 0.0205(5) 0.047(2) Uani 1 1 d . . .
F8 F 0.3329(7) 0.2620(4) 0.2546(5) 0.062(2) Uani 1 1 d . . .
F9 F 0.1626(8) 0.2201(5) 0.3476(6) 0.083(3) Uani 1 1 d . . .
F10 F 0.1039(7) 0.0936(6) 0.3486(6) 0.079(3) Uani 1 1 d . . .
F11 F 0.2202(8) 0.0028(5) 0.2566(5) 0.071(3) Uani 1 1 d . . .
F12 F 0.3936(6) 0.0410(4) 0.1637(4) 0.053(2) Uani 1 1 d . . .
O1 O 0.7282(6) 0.2243(5) 0.0979(4) 0.033(2) Uani 1 1 d . . .
O2 O 0.5156(17) 0.4169(10) 0.1936(11) 0.152(8) Uani 1 1 d . A .
O3 O 0.483(3) 0.5176(16) 0.2348(19) 0.109(11) Uani 0.50 1 d PU A 1
O4 O 0.388(3) 0.431(2) 0.3115(19) 0.114(11) Uani 0.50 1 d PU A 1
O3' O 0.410(2) 0.5009(13) 0.2543(14) 0.066(7) Uani 0.50 1 d PU A 2
O4' O 0.410(3) 0.3833(19) 0.285(2) 0.110(11) Uani 0.50 1 d PU A 2
O5 O 0.5403(14) 0.4365(10) 0.3008(9) 0.125(6) Uani 1 1 d . A .
C1 C 0.4186(9) 0.2336(6) 0.0633(6) 0.029(3) Uani 1 1 d . . .
C2 C 0.3902(11) 0.3064(7) 0.0596(8) 0.042(3) Uani 1 1 d . . .
C3 C 0.3366(10) 0.3390(7) 0.0133(8) 0.040(3) Uani 1 1 d . . .
C4 C 0.3054(13) 0.3022(8) -0.0293(9) 0.054(4) Uani 1 1 d . . .
C5 C 0.3287(11) 0.2311(7) -0.0255(8) 0.044(4) Uani 1 1 d . . .
C6 C 0.3842(10) 0.1995(6) 0.0197(8) 0.038(3) Uani 1 1 d . . .
C7 C 0.3703(8) 0.1538(6) 0.2039(6) 0.026(3) Uani 1 1 d . . .
C8 C 0.3055(10) 0.1967(6) 0.2526(8) 0.040(3) Uani 1 1 d . . .
C9 C 0.2178(10) 0.1775(8) 0.3004(8) 0.047(4) Uani 1 1 d . . .
C10 C 0.1897(12) 0.1121(9) 0.3003(9) 0.055(4) Uani 1 1 d . . .
C11 C 0.2500(11) 0.0677(8) 0.2548(8) 0.047(4) Uani 1 1 d . . .
C12 C 0.3367(10) 0.0880(7) 0.2082(7) 0.039(3) Uani 1 1 d . . .
C13 C 0.6383(9) 0.3007(7) 0.0022(7) 0.032(3) Uani 1 1 d . . .
C14 C 0.6050(11) 0.3078(8) -0.0603(8) 0.050(4) Uani 1 1 d . . .
H14 H 0.5965 0.2670 -0.0793 0.060 Uiso 1 1 calc R . .
C15 C 0.5848(14) 0.3726(11) -0.0942(10) 0.079(6) Uani 1 1 d . . .
H15 H 0.5627 0.3767 -0.1367 0.094 Uiso 1 1 calc R . .
C16 C 0.5965(14) 0.4325(10) -0.0667(12) 0.080(6) Uani 1 1 d . . .
H16 H 0.5809 0.4775 -0.0895 0.096 Uiso 1 1 calc R . .
C17 C 0.6310(14) 0.4267(8) -0.0057(12) 0.078(6) Uani 1 1 d . . .
H17 H 0.6403 0.4673 0.0132 0.093 Uiso 1 1 calc R . .
C18 C 0.6514(11) 0.3607(7) 0.0267(9) 0.053(4) Uani 1 1 d . . .
H18 H 0.6758 0.3567 0.0681 0.063 Uiso 1 1 calc R . .
C19 C 0.7171(10) 0.1585(7) -0.0135(7) 0.035(3) Uani 1 1 d . . .
C20 C 0.6666(12) 0.1233(8) -0.0496(9) 0.053(4) Uani 1 1 d . . .
H20 H 0.5961 0.1298 -0.0376 0.064 Uiso 1 1 calc R . .
C21 C 0.7163(14) 0.0802(10) -0.1013(10) 0.072(5) Uani 1 1 d . . .
H21 H 0.6810 0.0589 -0.1264 0.087 Uiso 1 1 calc R . .
C22 C 0.8164(17) 0.0682(11) -0.1163(11) 0.088(7) Uani 1 1 d . . .
H22 H 0.8526 0.0381 -0.1516 0.106 Uiso 1 1 calc R . .
C23 C 0.8656(14) 0.1020(13) -0.0779(11) 0.090(7) Uani 1 1 d . . .
H23 H 0.9358 0.0941 -0.0876 0.108 Uiso 1 1 calc R . .
C24 C 0.8164(10) 0.1439(9) -0.0294(8) 0.055(4) Uani 1 1 d . . .
H24 H 0.8523 0.1649 -0.0045 0.065 Uiso 1 1 calc R . .
C25 C 0.6794(9) 0.0541(6) 0.1628(7) 0.032(3) Uani 1 1 d . . .
C26 C 0.6546(11) 0.0209(7) 0.1129(8) 0.044(3) Uani 1 1 d . . .
H26 H 0.5936 0.0346 0.1011 0.053 Uiso 1 1 calc R . .
C27 C 0.7186(11) -0.0319(7) 0.0804(8) 0.047(4) Uani 1 1 d . . .
H27 H 0.7012 -0.0541 0.0456 0.056 Uiso 1 1 calc R . .
C28 C 0.8046(14) -0.0533(8) 0.0959(10) 0.065(5) Uani 1 1 d . . .
H28 H 0.8479 -0.0897 0.0721 0.078 Uiso 1 1 calc R . .
C29 C 0.8292(11) -0.0218(8) 0.1465(9) 0.056(4) Uani 1 1 d . . .
H29 H 0.8895 -0.0369 0.1588 0.068 Uiso 1 1 calc R . .
C30 C 0.7671(11) 0.0312(7) 0.1795(8) 0.042(3) Uani 1 1 d . . .
H30 H 0.7848 0.0527 0.2146 0.050 Uiso 1 1 calc R . .
C31 C 0.5178(10) 0.0816(7) 0.2905(7) 0.040(3) Uani 1 1 d . . .
C32 C 0.4518(11) 0.1209(8) 0.3412(7) 0.043(3) Uani 1 1 d . . .
H32 H 0.4494 0.1707 0.3338 0.051 Uiso 1 1 calc R . .
C33 C 0.3889(14) 0.0880(10) 0.4031(9) 0.065(5) Uani 1 1 d . . .
H33 H 0.3454 0.1160 0.4379 0.078 Uiso 1 1 calc R . .
C34 C 0.3882(18) 0.0178(12) 0.4151(11) 0.087(7) Uani 1 1 d . . .
H34 H 0.3444 -0.0039 0.4573 0.104 Uiso 1 1 calc R . .
C35 C 0.4541(18) -0.0227(11) 0.3633(12) 0.090(7) Uani 1 1 d . . .
H35 H 0.4546 -0.0724 0.3713 0.108 Uiso 1 1 calc R . .
C36 C 0.5179(14) 0.0076(8) 0.3016(10) 0.064(5) Uani 1 1 d . . .
H36 H 0.5613 -0.0206 0.2670 0.076 Uiso 1 1 calc R . .
C37 C 0.8462(10) 0.3559(7) 0.1398(8) 0.038(3) Uani 1 1 d . . .
C38 C 0.7703(11) 0.4098(8) 0.1621(9) 0.048(4) Uani 1 1 d . . .
H38 H 0.7179 0.4018 0.2053 0.058 Uiso 1 1 calc R . .
C39 C 0.7727(14) 0.4745(8) 0.1205(11) 0.064(5) Uani 1 1 d . . .
H39 H 0.7232 0.5115 0.1359 0.076 Uiso 1 1 calc R . .
C40 C 0.8462(15) 0.4849(10) 0.0576(12) 0.075(6) Uani 1 1 d . . .
H40 H 0.8486 0.5291 0.0289 0.090 Uiso 1 1 calc R . .
C41 C 0.9166(14) 0.4311(9) 0.0362(10) 0.067(5) Uani 1 1 d . . .
H41 H 0.9679 0.4383 -0.0077 0.081 Uiso 1 1 calc R . .
C42 C 0.9147(12) 0.3669(8) 0.0769(8) 0.049(4) Uani 1 1 d . . .
H42 H 0.9631 0.3298 0.0598 0.059 Uiso 1 1 calc R . .
C43 C 0.9529(10) 0.2210(7) 0.1623(7) 0.037(3) Uani 1 1 d . . .
C44 C 0.9554(11) 0.1637(7) 0.1277(8) 0.042(3) Uani 1 1 d . . .
H44 H 0.8953 0.1518 0.1214 0.051 Uiso 1 1 calc R . .
C45 C 1.0428(12) 0.1222(9) 0.1013(10) 0.062(4) Uani 1 1 d . . .
H45 H 1.0418 0.0813 0.0795 0.074 Uiso 1 1 calc R . .
C46 C 1.1315(11) 0.1410(9) 0.1073(9) 0.057(4) Uani 1 1 d . . .
H46 H 1.1922 0.1140 0.0883 0.068 Uiso 1 1 calc R . .
C47 C 1.1305(12) 0.1999(9) 0.1412(8) 0.057(4) Uani 1 1 d . . .
H47 H 1.1910 0.2136 0.1449 0.069 Uiso 1 1 calc R . .
C48 C 1.0426(10) 0.2385(8) 0.1693(8) 0.043(3) Uani 1 1 d . . .
H48 H 1.0427 0.2776 0.1939 0.052 Uiso 1 1 calc R . .
C49 C 0.6004(10) 0.2122(7) 0.3949(7) 0.036(3) Uani 1 1 d . . .
C50 C 0.5335(10) 0.2664(7) 0.3782(7) 0.040(3) Uani 1 1 d . . .
H50 H 0.5469 0.2906 0.3306 0.048 Uiso 1 1 calc R . .
C51 C 0.4474(12) 0.2852(9) 0.4304(9) 0.056(4) Uani 1 1 d . . .
H51 H 0.4024 0.3224 0.4180 0.067 Uiso 1 1 calc R . .
C52 C 0.4252(13) 0.2516(10) 0.4994(10) 0.069(5) Uani 1 1 d . . .
H52 H 0.3645 0.2636 0.5343 0.083 Uiso 1 1 calc R . .
C53 C 0.4939(17) 0.1997(11) 0.5171(11) 0.089(7) Uani 1 1 d . . .
H53 H 0.4817 0.1767 0.5651 0.107 Uiso 1 1 calc R . .
C54 C 0.5825(12) 0.1807(9) 0.4635(8) 0.061(5) Uani 1 1 d . . .
H54 H 0.6297 0.1455 0.4761 0.073 Uiso 1 1 calc R . .
C55 C 0.7656(11) 0.1064(7) 0.3493(7) 0.037(3) Uani 1 1 d . . .
C56 C 0.7044(13) 0.0519(7) 0.3770(7) 0.048(4) Uani 1 1 d . . .
H56 H 0.6342 0.0614 0.3903 0.058 Uiso 1 1 calc R . .
C57 C 0.7480(16) -0.0179(9) 0.3850(10) 0.071(5) Uani 1 1 d . . .
H57 H 0.7073 -0.0557 0.4035 0.085 Uiso 1 1 calc R . .
C58 C 0.8492(18) -0.0301(10) 0.3659(13) 0.087(7) Uani 1 1 d . . .
H58 H 0.8786 -0.0766 0.3728 0.105 Uiso 1 1 calc R . .
C59 C 0.9090(16) 0.0233(9) 0.3371(12) 0.081(6) Uani 1 1 d . . .
H59 H 0.9791 0.0130 0.3236 0.097 Uiso 1 1 calc R . .
C60 C 0.8702(12) 0.0907(8) 0.3276(10) 0.059(5) Uani 1 1 d . . .
H60 H 0.9128 0.1270 0.3065 0.071 Uiso 1 1 calc R . .
C61 C 0.8355(12) 0.4595(8) 0.3410(10) 0.059(5) Uani 1 1 d . . .
C62 C 0.7436(15) 0.4749(10) 0.3295(12) 0.084(7) Uani 1 1 d . . .
H62 H 0.7119 0.4390 0.3185 0.101 Uiso 1 1 calc R . .
C63 C 0.6959(18) 0.5424(12) 0.3336(14) 0.099(7) Uani 1 1 d U . .
H63 H 0.6330 0.5521 0.3241 0.118 Uiso 1 1 calc R . .
C64 C 0.738(2) 0.5943(15) 0.3509(15) 0.119(9) Uani 1 1 d U . .
H64 H 0.7060 0.6406 0.3519 0.143 Uiso 1 1 calc R . .
C65 C 0.828(2) 0.5797(13) 0.3670(16) 0.121(9) Uani 1 1 d U . .
H65 H 0.8563 0.6151 0.3822 0.145 Uiso 1 1 calc R . .
C66 C 0.8784(18) 0.5128(11) 0.3609(13) 0.095(7) Uani 1 1 d U . .
H66 H 0.9415 0.5033 0.3701 0.114 Uiso 1 1 calc R . .
C67 C 1.0218(12) 0.4015(7) 0.2634(8) 0.046(4) Uani 1 1 d . . .
C68 C 1.0189(15) 0.4450(11) 0.1990(11) 0.082(6) Uani 1 1 d . . .
H68 H 0.9582 0.4577 0.1866 0.098 Uiso 1 1 calc R . .
C69 C 1.108(2) 0.4687(14) 0.1543(12) 0.109(9) Uani 1 1 d . . .
H69 H 1.1060 0.5016 0.1133 0.131 Uiso 1 1 calc R . .
C70 C 1.1954(18) 0.4470(12) 0.1665(12) 0.088(6) Uani 1 1 d . . .
H70 H 1.2550 0.4613 0.1325 0.105 Uiso 1 1 calc R . .
C71 C 1.1990(14) 0.4044(10) 0.2279(10) 0.071(5) Uani 1 1 d . . .
H71 H 1.2613 0.3907 0.2377 0.086 Uiso 1 1 calc R . .
C72 C 1.1134(12) 0.3807(9) 0.2764(9) 0.058(4) Uani 1 1 d . . .
H72 H 1.1172 0.3502 0.3186 0.070 Uiso 1 1 calc R . .
C73 C 0.9249(11) 0.3366(7) 0.4139(7) 0.045(4) Uani 1 1 d . . .
H73A H 0.9876 0.3058 0.4082 0.053 Uiso 1 1 calc R . .
H73B H 0.9215 0.3719 0.4471 0.053 Uiso 1 1 calc R . .
C74 C 0.8403(12) 0.2080(9) 0.4959(7) 0.049(4) Uani 1 1 d . . .
C75 C 0.9271(15) 0.1653(9) 0.4725(10) 0.076(6) Uani 1 1 d . . .
H75 H 0.9752 0.1799 0.4288 0.091 Uiso 1 1 calc R . .
C76 C 0.9444(19) 0.1029(11) 0.5111(12) 0.096(7) Uani 1 1 d . . .
H76 H 1.0041 0.0742 0.4934 0.115 Uiso 1 1 calc R . .
C77 C 0.878(2) 0.0804(13) 0.5748(13) 0.103(8) Uani 1 1 d . . .
H77 H 0.8902 0.0372 0.6022 0.124 Uiso 1 1 calc R . .
C78 C 0.7911(18) 0.1241(17) 0.5974(12) 0.114(10) Uani 1 1 d . . .
H78 H 0.7433 0.1101 0.6414 0.137 Uiso 1 1 calc R . .
C79 C 0.7720(15) 0.1872(13) 0.5580(10) 0.085(7) Uani 1 1 d . . .
H79 H 0.7117 0.2155 0.5745 0.102 Uiso 1 1 calc R . .
C80 C 0.7195(11) 0.3411(9) 0.5009(9) 0.057(4) Uani 1 1 d . . .
C81 C 0.6334(13) 0.3654(11) 0.4817(12) 0.083(7) Uani 1 1 d . . .
H81 H 0.6235 0.3519 0.4392 0.100 Uiso 1 1 calc R . .
C82 C 0.5618(18) 0.4090(13) 0.5235(15) 0.111(8) Uani 1 1 d U . .
H82 H 0.5011 0.4261 0.5126 0.133 Uiso 1 1 calc R . .
C83 C 0.587(3) 0.4262(17) 0.5847(17) 0.149(11) Uani 1 1 d U . .
H83 H 0.5414 0.4583 0.6135 0.178 Uiso 1 1 calc R . .
C84 C 0.669(3) 0.4018(17) 0.6062(17) 0.139(11) Uani 1 1 d U . .
H84 H 0.6778 0.4127 0.6502 0.167 Uiso 1 1 calc R . .
C85 C 0.7398(17) 0.3605(13) 0.5612(12) 0.097(7) Uani 1 1 d U . .
H85 H 0.8017 0.3454 0.5711 0.117 Uiso 1 1 calc R . .
Cl2 Cl 0.1770(9) 0.3483(8) 0.4608(7) 0.104(4) Uani 0.50 1 d PD . .
Cl3 Cl 0.1028(10) 0.4925(9) 0.4378(10) 0.133(6) Uani 0.50 1 d PD . .
C86 C 0.172(5) 0.426(3) 0.435(3) 0.18(3) Uani 0.50 1 d PD . .
H86A H 0.2249 0.4409 0.4531 0.216 Uiso 0.50 1 calc PR . .
H86B H 0.2020 0.4258 0.3825 0.216 Uiso 0.50 1 calc PR . .


_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 2.069(11) . ?
Pt1 C1 2.082(12) . ?
Pt1 P1 2.295(3) . ?
Pt1 P2 2.321(3) . ?
Pt1 Ag 2.7596(10) . ?
Pt2 O1 2.075(8) . ?
Pt2 P4 2.257(3) . ?
Pt2 P3 2.328(3) . ?
Pt2 P2 2.352(3) . ?
Pt2 Ag 2.8741(11) . ?
Pt3 P3 2.325(3) . ?
Pt3 P6 2.331(4) . ?
Pt3 P5 2.338(3) . ?
Pt3 P4 2.341(3) . ?
Ag O2 2.350(19) . ?
Cl1 O3' 1.33(2) . ?
Cl1 O4 1.37(3) . ?
Cl1 O2 1.382(17) . ?
Cl1 O5 1.393(14) . ?
Cl1 O3 1.42(3) . ?
Cl1 O4' 1.53(3) . ?
P1 O1 1.581(8) . ?
P1 C13 1.817(13) . ?
P1 C19 1.825(13) . ?
P2 C31 1.838(14) . ?
P2 C25 1.845(12) . ?
P3 C43 1.822(14) . ?
P3 C37 1.831(13) . ?
P4 C49 1.823(14) . ?
P4 C55 1.827(13) . ?
P5 C61 1.786(15) . ?
P5 C67 1.802(17) . ?
P5 C73 1.861(13) . ?
P6 C74 1.801(16) . ?
P6 C73 1.809(16) . ?
P6 C80 1.828(14) . ?
F2 C2 1.353(14) . ?
F3 C3 1.360(15) . ?
F5 C5 1.355(14) . ?
F4 C4 1.356(16) . ?
F6 C6 1.343(14) . ?
F8 C8 1.374(14) . ?
F9 C9 1.326(15) . ?
F10 C10 1.352(17) . ?
F11 C11 1.364(16) . ?
F12 C12 1.361(15) . ?
C1 C6 1.364(16) . ?
C1 C2 1.411(18) . ?
C2 C3 1.374(19) . ?
C3 C4 1.356(19) . ?
C4 C5 1.37(2) . ?
C5 C6 1.372(17) . ?
C7 C12 1.394(17) . ?
C7 C8 1.395(17) . ?
C8 C9 1.371(19) . ?
C9 C10 1.37(2) . ?
C10 C11 1.36(2) . ?
C11 C12 1.358(19) . ?
C13 C18 1.364(19) . ?
C13 C14 1.407(18) . ?
C14 C15 1.37(2) . ?
C15 C16 1.39(3) . ?
C16 C17 1.39(3) . ?
C17 C18 1.37(2) . ?
C19 C24 1.347(19) . ?
C19 C20 1.417(18) . ?
C20 C21 1.37(2) . ?
C21 C22 1.35(3) . ?
C22 C23 1.42(3) . ?
C23 C24 1.31(2) . ?
C25 C30 1.374(18) . ?
C25 C26 1.377(17) . ?
C26 C27 1.370(18) . ?
C27 C28 1.34(2) . ?
C28 C29 1.37(2) . ?
C29 C30 1.364(19) . ?
C31 C32 1.383(19) . ?
C31 C36 1.42(2) . ?
C32 C33 1.39(2) . ?
C33 C34 1.34(3) . ?
C34 C35 1.41(3) . ?
C35 C36 1.38(2) . ?
C37 C42 1.33(2) . ?
C37 C38 1.414(19) . ?
C38 C39 1.39(2) . ?
C39 C40 1.36(3) . ?
C40 C41 1.37(3) . ?
C41 C42 1.37(2) . ?
C43 C44 1.365(18) . ?
C43 C48 1.399(18) . ?
C44 C45 1.39(2) . ?
C45 C46 1.39(2) . ?
C46 C47 1.39(2) . ?
C47 C48 1.37(2) . ?
C49 C54 1.347(19) . ?
C49 C50 1.389(18) . ?
C50 C51 1.38(2) . ?
C51 C52 1.37(2) . ?
C52 C53 1.38(3) . ?
C53 C54 1.42(2) . ?
C55 C56 1.39(2) . ?
C55 C60 1.42(2) . ?
C56 C57 1.42(2) . ?
C57 C58 1.37(3) . ?
C58 C59 1.37(3) . ?
C59 C60 1.36(2) . ?
C61 C62 1.37(2) . ?
C61 C66 1.41(2) . ?
C62 C63 1.39(3) . ?
C63 C64 1.35(3) . ?
C64 C65 1.39(3) . ?
C65 C66 1.40(3) . ?
C67 C72 1.39(2) . ?
C67 C68 1.41(2) . ?
C68 C69 1.39(3) . ?
C69 C70 1.33(3) . ?
C70 C71 1.36(3) . ?
C71 C72 1.38(2) . ?
C74 C79 1.35(2) . ?
C74 C75 1.38(2) . ?
C75 C76 1.36(2) . ?
C76 C77 1.37(3) . ?
C77 C78 1.39(3) . ?
C78 C79 1.38(3) . ?
C80 C81 1.38(2) . ?
C80 C85 1.39(3) . ?
C81 C82 1.38(3) . ?
C82 C83 1.43(4) . ?
C83 C84 1.35(4) . ?
C84 C85 1.37(3) . ?
Cl2 C86 1.51(6) . ?
Cl3 C86 1.51(5) . ?

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 C1 87.6(5) . . ?
C7 Pt1 P1 176.8(3) . . ?
C1 Pt1 P1 94.4(3) . . ?
C7 Pt1 P2 92.4(3) . . ?
C1 Pt1 P2 179.5(3) . . ?
P1 Pt1 P2 85.63(11) . . ?
C7 Pt1 Ag 99.9(3) . . ?
C1 Pt1 Ag 100.3(3) . . ?
P1 Pt1 Ag 77.25(8) . . ?
P2 Pt1 Ag 79.19(8) . . ?
O1 Pt2 P4 167.6(2) . . ?
O1 Pt2 P3 90.3(2) . . ?
P4 Pt2 P3 77.69(12) . . ?
O1 Pt2 P2 85.2(2) . . ?
P4 Pt2 P2 106.24(12) . . ?
P3 Pt2 P2 170.51(11) . . ?
O1 Pt2 Ag 75.7(2) . . ?
P4 Pt2 Ag 111.11(9) . . ?
P3 Pt2 Ag 110.63(8) . . ?
P2 Pt2 Ag 76.36(8) . . ?
P3 Pt3 P6 173.36(12) . . ?
P3 Pt3 P5 107.47(12) . . ?
P6 Pt3 P5 71.19(13) . . ?
P3 Pt3 P4 76.12(11) . . ?
P6 Pt3 P4 105.74(13) . . ?
P5 Pt3 P4 174.49(13) . . ?
O2 Ag Pt1 146.6(5) . . ?
O2 Ag Pt2 124.2(5) . . ?
Pt1 Ag Pt2 82.93(3) . . ?
O3' Cl1 O4 73(2) . . ?
O3' Cl1 O2 114.0(14) . . ?
O4 Cl1 O2 129(2) . . ?
O3' Cl1 O5 125.3(14) . . ?
O4 Cl1 O5 99.5(18) . . ?
O2 Cl1 O5 111.3(12) . . ?
O3' Cl1 O3 45.7(16) . . ?
O4 Cl1 O3 114(2) . . ?
O2 Cl1 O3 100.6(18) . . ?
O5 Cl1 O3 97.6(18) . . ?
O3' Cl1 O4' 104.7(19) . . ?
O4 Cl1 O4' 43.9(18) . . ?
O2 Cl1 O4' 88.7(18) . . ?
O5 Cl1 O4' 105.2(15) . . ?
O3 Cl1 O4' 150(2) . . ?
O1 P1 C13 105.6(5) . . ?
O1 P1 C19 104.9(5) . . ?
C13 P1 C19 103.3(6) . . ?
O1 P1 Pt1 112.5(3) . . ?
C13 P1 Pt1 113.1(4) . . ?
C19 P1 Pt1 116.4(4) . . ?
C31 P2 C25 103.7(6) . . ?
C31 P2 Pt1 112.1(4) . . ?
C25 P2 Pt1 109.8(4) . . ?
C31 P2 Pt2 121.9(4) . . ?
C25 P2 Pt2 102.5(4) . . ?
Pt1 P2 Pt2 105.98(12) . . ?
C43 P3 C37 104.5(6) . . ?
C43 P3 Pt3 110.1(4) . . ?
C37 P3 Pt3 115.1(4) . . ?
C43 P3 Pt2 107.6(4) . . ?
C37 P3 Pt2 118.6(4) . . ?
Pt3 P3 Pt2 100.70(13) . . ?
C49 P4 C55 106.3(6) . . ?
C49 P4 Pt2 117.0(4) . . ?
C55 P4 Pt2 109.6(4) . . ?
C49 P4 Pt3 106.9(4) . . ?
C55 P4 Pt3 115.0(5) . . ?
Pt2 P4 Pt3 102.36(13) . . ?
C61 P5 C67 103.0(8) . . ?
C61 P5 C73 106.7(7) . . ?
C67 P5 C73 110.2(7) . . ?
C61 P5 Pt3 116.7(6) . . ?
C67 P5 Pt3 127.2(4) . . ?
C73 P5 Pt3 91.0(5) . . ?
C74 P6 C73 109.1(7) . . ?
C74 P6 C80 106.1(8) . . ?
C73 P6 C80 105.6(7) . . ?
C74 P6 Pt3 119.8(5) . . ?
C73 P6 Pt3 92.6(4) . . ?
C80 P6 Pt3 121.3(6) . . ?
P1 O1 Pt2 126.8(5) . . ?
Cl1 O2 Ag 119.6(13) . . ?
C6 C1 C2 113.7(11) . . ?
C6 C1 Pt1 122.9(9) . . ?
C2 C1 Pt1 123.3(9) . . ?
F2 C2 C3 117.6(12) . . ?
F2 C2 C1 120.4(12) . . ?
C3 C2 C1 121.9(12) . . ?
C4 C3 F3 119.3(12) . . ?
C4 C3 C2 121.4(13) . . ?
F3 C3 C2 119.3(12) . . ?
C3 C4 F4 120.1(13) . . ?
C3 C4 C5 118.3(13) . . ?
F4 C4 C5 121.5(13) . . ?
F5 C5 C4 119.2(12) . . ?
F5 C5 C6 121.2(12) . . ?
C4 C5 C6 119.6(12) . . ?
F6 C6 C1 118.8(11) . . ?
F6 C6 C5 116.3(11) . . ?
C1 C6 C5 124.9(12) . . ?
C12 C7 C8 112.9(11) . . ?
C12 C7 Pt1 122.1(9) . . ?
C8 C7 Pt1 125.0(9) . . ?
C9 C8 F8 117.5(12) . . ?
C9 C8 C7 124.7(12) . . ?
F8 C8 C7 117.8(11) . . ?
F9 C9 C10 120.4(14) . . ?
F9 C9 C8 121.1(14) . . ?
C10 C9 C8 118.5(13) . . ?
F10 C10 C11 122.4(15) . . ?
F10 C10 C9 117.9(15) . . ?
C11 C10 C9 119.6(14) . . ?
C10 C11 C12 120.5(14) . . ?
C10 C11 F11 118.1(13) . . ?
C12 C11 F11 121.4(13) . . ?
C11 C12 F12 117.5(12) . . ?
C11 C12 C7 123.8(13) . . ?
F12 C12 C7 118.7(11) . . ?
C18 C13 C14 117.6(13) . . ?
C18 C13 P1 120.1(10) . . ?
C14 C13 P1 122.0(10) . . ?
C15 C14 C13 120.9(15) . . ?
C14 C15 C16 120.0(16) . . ?
C15 C16 C17 120.1(16) . . ?
C18 C17 C16 118.4(17) . . ?
C13 C18 C17 123.1(16) . . ?
C24 C19 C20 116.4(13) . . ?
C24 C19 P1 121.5(10) . . ?
C20 C19 P1 122.0(11) . . ?
C21 C20 C19 121.9(15) . . ?
C22 C21 C20 119.3(17) . . ?
C21 C22 C23 118.1(17) . . ?
C24 C23 C22 121.5(18) . . ?
C23 C24 C19 122.7(16) . . ?
C30 C25 C26 118.1(12) . . ?
C30 C25 P2 121.4(10) . . ?
C26 C25 P2 120.5(10) . . ?
C27 C26 C25 119.5(14) . . ?
C28 C27 C26 122.2(13) . . ?
C27 C28 C29 118.9(14) . . ?
C30 C29 C28 120.0(15) . . ?
C29 C30 C25 121.3(13) . . ?
C32 C31 C36 118.8(14) . . ?
C32 C31 P2 119.7(10) . . ?
C36 C31 P2 121.3(12) . . ?
C31 C32 C33 120.4(14) . . ?
C34 C33 C32 121.8(18) . . ?
C33 C34 C35 118.3(18) . . ?
C36 C35 C34 121.8(18) . . ?
C35 C36 C31 118.9(17) . . ?
C42 C37 C38 119.1(13) . . ?
C42 C37 P3 124.9(11) . . ?
C38 C37 P3 116.0(11) . . ?
C39 C38 C37 119.6(15) . . ?
C40 C39 C38 119.8(17) . . ?
C39 C40 C41 119.3(17) . . ?
C40 C41 C42 121.4(18) . . ?
C37 C42 C41 120.7(16) . . ?
C44 C43 C48 117.8(13) . . ?
C44 C43 P3 121.8(11) . . ?
C48 C43 P3 120.4(10) . . ?
C43 C44 C45 122.2(14) . . ?
C46 C45 C44 119.2(15) . . ?
C45 C46 C47 119.2(15) . . ?
C48 C47 C46 120.4(14) . . ?
C47 C48 C43 121.0(13) . . ?
C54 C49 C50 119.0(13) . . ?
C54 C49 P4 123.3(11) . . ?
C50 C49 P4 117.2(10) . . ?
C51 C50 C49 120.3(13) . . ?
C52 C51 C50 121.7(15) . . ?
C51 C52 C53 118.1(16) . . ?
C52 C53 C54 120.1(17) . . ?
C49 C54 C53 120.7(15) . . ?
C56 C55 C60 119.3(13) . . ?
C56 C55 P4 121.8(11) . . ?
C60 C55 P4 117.9(11) . . ?
C55 C56 C57 119.4(16) . . ?
C58 C57 C56 119.2(18) . . ?
C57 C58 C59 121.3(17) . . ?
C60 C59 C58 121.3(19) . . ?
C59 C60 C55 119.4(17) . . ?
C62 C61 C66 118.1(16) . . ?
C62 C61 P5 122.4(13) . . ?
C66 C61 P5 119.3(13) . . ?
C61 C62 C63 121.1(18) . . ?
C64 C63 C62 121(2) . . ?
C63 C64 C65 120(2) . . ?
C64 C65 C66 120(2) . . ?
C65 C66 C61 120(2) . . ?
C72 C67 C68 118.6(16) . . ?
C72 C67 P5 123.3(12) . . ?
C68 C67 P5 118.0(13) . . ?
C69 C68 C67 117.8(18) . . ?
C70 C69 C68 123(2) . . ?
C69 C70 C71 120(2) . . ?
C70 C71 C72 121(2) . . ?
C71 C72 C67 120.1(17) . . ?
P6 C73 P5 95.5(6) . . ?
C79 C74 C75 119.3(17) . . ?
C79 C74 P6 120.7(15) . . ?
C75 C74 P6 119.9(12) . . ?
C76 C75 C74 121.0(18) . . ?
C75 C76 C77 121(2) . . ?
C76 C77 C78 117(2) . . ?
C79 C78 C77 122(2) . . ?
C74 C79 C78 119(2) . . ?
C81 C80 C85 122.5(17) . . ?
C81 C80 P6 119.3(13) . . ?
C85 C80 P6 117.9(15) . . ?
C82 C81 C80 120.6(19) . . ?
C81 C82 C83 114(2) . . ?
C84 C83 C82 127(3) . . ?
C83 C84 C85 117(3) . . ?
C84 C85 C80 119(2) . . ?
Cl3 C86 Cl2 144(5) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         7.070
_refine_diff_density_min         -2.964
_refine_diff_density_rms         0.206

# start Validation Reply Form
_vrf_CHEMW03_ial289sq            
;
PROBLEM: ALERT: The ratio of given/expected molecular weight as
RESPONSE: The calculated molecular weight is calculated from the
moiety formula, which does not include 4 n-hexane molecules.
They have not been included in the structural model, but their presence
has been estimated via SQUEEZE calculation and included in the calculation
of crystal parameters (molecular weight, density, F000, etc).
;
# end Validation Reply Form


####################################################################### 
# 
# 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_ial291a
_database_code_depnum_ccdc_archive 'CCDC 1408931'
_audit_update_record             
;
2015-09-09 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C120 H80 Cl2 F20 O2 P8 Pt6 2(C16 H36 N) 2(C3 H6 O) 1.5(C6 H14)'
_chemical_formula_sum            'C83.50 H92.50 Cl F10 N O2 P4 Pt3'
_chemical_formula_weight         2076.69

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7673(6)
_cell_length_b                   14.5107(7)
_cell_length_c                   26.1772(13)
_cell_angle_alpha                97.7560(10)
_cell_angle_beta                 95.6760(10)
_cell_angle_gamma                97.0240(10)
_cell_volume                     4365.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9968
_cell_measurement_theta_min      4.44
_cell_measurement_theta_max      56.35

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2035
_exptl_absorpt_coefficient_mu    4.963
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3821
_exptl_absorpt_correction_T_max  0.8654
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            32602
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0540
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.53
_diffrn_reflns_theta_max         25.00
_reflns_number_total             15258
_reflns_number_gt                12176
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 One of the lattice hexane molecules has been refined with loose restraints 
 in the atom distances C86-C87-C88 (DFIX). 
 
 At thre end of the refinement some residual peaks (max less than 3 e/Α3)
 are observed, however they lie close to the metal atoms (closer than 1 Α). 
 They have no chemical sense and may be due to absorption effects.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0502P)²+21.2791P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15258
_refine_ls_number_parameters     970
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0469
_refine_ls_wR_factor_ref         0.1178
_refine_ls_wR_factor_gt          0.1098
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.14693(3) 0.49760(2) 0.265402(12) 0.02703(10) Uani 1 1 d . . .
Pt2 Pt 0.08510(3) 0.303021(19) 0.143692(12) 0.02442(9) Uani 1 1 d . . .
Pt3 Pt 0.03696(3) 0.104654(19) 0.046461(12) 0.02877(10) Uani 1 1 d . . .
Cl1 Cl -0.0337(2) 0.06282(13) -0.04458(8) 0.0435(6) Uani 1 1 d . . .
P1 P 0.1527(2) 0.51556(13) 0.18136(8) 0.0269(5) Uani 1 1 d . . .
P2 P 0.09603(19) 0.34022(14) 0.23408(8) 0.0241(5) Uani 1 1 d . . .
P3 P 0.0329(2) 0.25990(13) 0.05550(8) 0.0250(5) Uani 1 1 d . . .
P4 P 0.1073(2) 0.15125(13) 0.12947(8) 0.0259(5) Uani 1 1 d . . .
F2 F 0.3816(5) 0.6476(4) 0.3005(3) 0.0554(16) Uani 1 1 d . . .
F3 F 0.4136(6) 0.8309(4) 0.3371(3) 0.079(2) Uani 1 1 d . . .
F4 F 0.2298(7) 0.9274(4) 0.3469(2) 0.070(2) Uani 1 1 d . . .
F5 F 0.0120(6) 0.8347(3) 0.3201(2) 0.0536(16) Uani 1 1 d . . .
F6 F -0.0218(5) 0.6514(4) 0.2839(2) 0.0448(14) Uani 1 1 d . . .
F8 F 0.3470(5) 0.4540(4) 0.3469(2) 0.0498(15) Uani 1 1 d . . .
F9 F 0.3517(6) 0.4094(5) 0.4429(2) 0.072(2) Uani 1 1 d . . .
F10 F 0.1582(7) 0.3995(6) 0.4913(2) 0.086(2) Uani 1 1 d . . .
F11 F -0.0428(6) 0.4383(5) 0.4420(2) 0.074(2) Uani 1 1 d . . .
F12 F -0.0494(5) 0.4850(4) 0.3468(2) 0.0446(14) Uani 1 1 d . . .
O1 O 0.0661(5) 0.4445(4) 0.1419(2) 0.0293(13) Uani 1 1 d . . .
C1 C 0.1779(9) 0.6391(6) 0.2917(3) 0.037(2) Uani 1 1 d . . .
C2 C 0.2854(9) 0.6918(6) 0.3058(4) 0.041(2) Uani 1 1 d . . .
C3 C 0.3040(10) 0.7861(7) 0.3233(4) 0.049(3) Uani 1 1 d . . .
C4 C 0.2123(11) 0.8337(6) 0.3284(4) 0.048(3) Uani 1 1 d . . .
C5 C 0.1028(10) 0.7873(6) 0.3146(3) 0.040(2) Uani 1 1 d . . .
C6 C 0.0874(8) 0.6935(6) 0.2970(3) 0.031(2) Uani 1 1 d . . .
C7 C 0.1487(8) 0.4717(6) 0.3418(3) 0.033(2) Uani 1 1 d . . .
C8 C 0.2473(9) 0.4514(6) 0.3692(4) 0.041(2) Uani 1 1 d . . .
C9 C 0.2522(10) 0.4280(7) 0.4183(4) 0.051(3) Uani 1 1 d . . .
C10 C 0.1543(12) 0.4229(8) 0.4425(4) 0.059(3) Uani 1 1 d . . .
C11 C 0.0541(11) 0.4432(8) 0.4183(4) 0.054(3) Uani 1 1 d . . .
C12 C 0.0533(9) 0.4670(6) 0.3684(3) 0.039(2) Uani 1 1 d . . .
C13 C 0.1292(8) 0.6303(5) 0.1651(3) 0.030(2) Uani 1 1 d . . .
C14 C 0.2146(9) 0.7070(5) 0.1779(3) 0.033(2) Uani 1 1 d . . .
H14 H 0.2898 0.6987 0.1916 0.040 Uiso 1 1 calc R . .
C15 C 0.1907(10) 0.7956(6) 0.1708(4) 0.041(2) Uani 1 1 d . . .
H15 H 0.2495 0.8479 0.1801 0.049 Uiso 1 1 calc R . .
C16 C 0.0842(9) 0.8087(6) 0.1508(4) 0.040(2) Uani 1 1 d . . .
H16 H 0.0691 0.8699 0.1458 0.048 Uiso 1 1 calc R . .
C17 C -0.0025(9) 0.7335(6) 0.1377(3) 0.037(2) Uani 1 1 d . . .
H17 H -0.0772 0.7429 0.1238 0.045 Uiso 1 1 calc R . .
C18 C 0.0201(8) 0.6435(6) 0.1448(3) 0.033(2) Uani 1 1 d . . .
H18 H -0.0392 0.5915 0.1358 0.039 Uiso 1 1 calc R . .
C19 C 0.2973(8) 0.5036(5) 0.1641(4) 0.036(2) Uani 1 1 d . . .
C20 C 0.3818(10) 0.4864(7) 0.2010(5) 0.053(3) Uani 1 1 d . . .
H20 H 0.3640 0.4833 0.2354 0.064 Uiso 1 1 calc R . .
C21 C 0.4906(12) 0.4738(8) 0.1891(6) 0.074(4) Uani 1 1 d . . .
H21 H 0.5477 0.4633 0.2152 0.089 Uiso 1 1 calc R . .
C22 C 0.5159(13) 0.4763(8) 0.1397(7) 0.077(4) Uani 1 1 d . . .
H22 H 0.5908 0.4671 0.1313 0.092 Uiso 1 1 calc R . .
C23 C 0.4339(13) 0.4922(8) 0.1015(6) 0.076(4) Uani 1 1 d . . .
H23 H 0.4525 0.4933 0.0670 0.091 Uiso 1 1 calc R . .
C24 C 0.3231(10) 0.5068(7) 0.1135(4) 0.052(3) Uani 1 1 d . . .
H24 H 0.2666 0.5187 0.0875 0.063 Uiso 1 1 calc R . .
C25 C -0.0569(8) 0.3124(7) 0.2403(3) 0.036(2) Uani 1 1 d . . .
C26 C -0.1244(9) 0.3838(8) 0.2346(4) 0.049(3) Uani 1 1 d . . .
H26 H -0.0886 0.4457 0.2332 0.058 Uiso 1 1 calc R . .
C27 C -0.2428(11) 0.3649(12) 0.2308(5) 0.077(4) Uani 1 1 d . . .
H27 H -0.2880 0.4139 0.2267 0.093 Uiso 1 1 calc R . .
C28 C -0.2956(12) 0.2775(14) 0.2329(6) 0.099(6) Uani 1 1 d . . .
H28 H -0.3772 0.2659 0.2307 0.119 Uiso 1 1 calc R . .
C29 C -0.2306(12) 0.2040(10) 0.2385(6) 0.088(5) Uani 1 1 d . . .
H29 H -0.2678 0.1426 0.2397 0.106 Uiso 1 1 calc R . .
C30 C -0.1105(9) 0.2221(7) 0.2421(4) 0.048(3) Uani 1 1 d . . .
H30 H -0.0655 0.1729 0.2458 0.057 Uiso 1 1 calc R . .
C31 C 0.1758(8) 0.2702(6) 0.2745(3) 0.035(2) Uani 1 1 d . . .
C32 C 0.2851(9) 0.2572(6) 0.2634(5) 0.050(3) Uani 1 1 d . . .
H32 H 0.3143 0.2815 0.2346 0.060 Uiso 1 1 calc R . .
C33 C 0.3530(10) 0.2089(7) 0.2937(6) 0.074(4) Uani 1 1 d . . .
H33 H 0.4287 0.2011 0.2860 0.089 Uiso 1 1 calc R . .
C34 C 0.3099(14) 0.1720(9) 0.3354(6) 0.087(5) Uani 1 1 d . . .
H34 H 0.3553 0.1375 0.3558 0.105 Uiso 1 1 calc R . .
C35 C 0.2029(14) 0.1858(8) 0.3467(5) 0.073(4) Uani 1 1 d . . .
H35 H 0.1743 0.1612 0.3755 0.088 Uiso 1 1 calc R . .
C36 C 0.1330(10) 0.2356(6) 0.3169(4) 0.049(3) Uani 1 1 d . . .
H36 H 0.0583 0.2453 0.3255 0.059 Uiso 1 1 calc R . .
C37 C 0.1196(8) 0.3181(6) 0.0123(3) 0.0284(19) Uani 1 1 d . . .
C38 C 0.1082(8) 0.4112(6) 0.0068(4) 0.037(2) Uani 1 1 d . . .
H38 H 0.0539 0.4424 0.0246 0.045 Uiso 1 1 calc R . .
C39 C 0.1760(9) 0.4578(6) -0.0246(4) 0.046(3) Uani 1 1 d . . .
H39 H 0.1671 0.5206 -0.0288 0.055 Uiso 1 1 calc R . .
C40 C 0.2565(9) 0.4133(7) -0.0498(4) 0.048(3) Uani 1 1 d . . .
H40 H 0.3029 0.4453 -0.0713 0.057 Uiso 1 1 calc R . .
C41 C 0.2691(8) 0.3226(7) -0.0434(4) 0.045(3) Uani 1 1 d . . .
H41 H 0.3262 0.2928 -0.0599 0.054 Uiso 1 1 calc R . .
C42 C 0.1992(8) 0.2732(6) -0.0131(3) 0.036(2) Uani 1 1 d . . .
H42 H 0.2065 0.2096 -0.0101 0.043 Uiso 1 1 calc R . .
C43 C -0.1137(8) 0.2831(5) 0.0371(3) 0.028(2) Uani 1 1 d . . .
C44 C -0.1854(9) 0.3022(6) 0.0757(4) 0.037(2) Uani 1 1 d . . .
H44 H -0.1571 0.3070 0.1113 0.045 Uiso 1 1 calc R . .
C45 C -0.2978(9) 0.3141(6) 0.0611(4) 0.044(3) Uani 1 1 d . . .
H45 H -0.3467 0.3270 0.0872 0.053 Uiso 1 1 calc R . .
C46 C -0.3406(9) 0.3080(6) 0.0104(5) 0.046(3) Uani 1 1 d . . .
H46 H -0.4182 0.3174 0.0016 0.055 Uiso 1 1 calc R . .
C47 C -0.2712(9) 0.2880(6) -0.0285(4) 0.042(2) Uani 1 1 d . . .
H47 H -0.3012 0.2827 -0.0640 0.050 Uiso 1 1 calc R . .
C48 C -0.1578(8) 0.2758(5) -0.0149(3) 0.032(2) Uani 1 1 d . . .
H48 H -0.1097 0.2624 -0.0413 0.038 Uiso 1 1 calc R . .
C49 C 0.2585(8) 0.1357(6) 0.1347(4) 0.034(2) Uani 1 1 d . . .
C50 C 0.3444(9) 0.2124(6) 0.1365(4) 0.051(3) Uani 1 1 d . . .
H50 H 0.3234 0.2736 0.1366 0.061 Uiso 1 1 calc R . .
C51 C 0.4602(9) 0.2000(8) 0.1381(5) 0.060(3) Uani 1 1 d . . .
H51 H 0.5176 0.2525 0.1391 0.072 Uiso 1 1 calc R . .
C52 C 0.4921(10) 0.1098(9) 0.1384(5) 0.069(4) Uani 1 1 d . . .
H52 H 0.5712 0.1016 0.1407 0.082 Uiso 1 1 calc R . .
C53 C 0.4085(9) 0.0330(7) 0.1352(5) 0.056(3) Uani 1 1 d . . .
H53 H 0.4299 -0.0282 0.1343 0.067 Uiso 1 1 calc R . .
C54 C 0.2934(9) 0.0453(6) 0.1334(4) 0.041(2) Uani 1 1 d . . .
H54 H 0.2365 -0.0080 0.1313 0.049 Uiso 1 1 calc R . .
C55 C 0.0422(7) 0.0718(5) 0.1701(3) 0.0267(19) Uani 1 1 d . . .
C56 C 0.0986(8) 0.0518(5) 0.2153(3) 0.0284(19) Uani 1 1 d . . .
H56 H 0.1772 0.0771 0.2254 0.034 Uiso 1 1 calc R . .
C57 C 0.0419(9) -0.0047(6) 0.2460(4) 0.039(2) Uani 1 1 d . . .
H57 H 0.0817 -0.0178 0.2770 0.047 Uiso 1 1 calc R . .
C58 C -0.0709(9) -0.0417(6) 0.2321(4) 0.041(2) Uani 1 1 d . . .
H58 H -0.1091 -0.0795 0.2539 0.049 Uiso 1 1 calc R . .
C59 C -0.1301(9) -0.0249(6) 0.1869(4) 0.037(2) Uani 1 1 d . . .
H59 H -0.2081 -0.0518 0.1768 0.045 Uiso 1 1 calc R . .
C60 C -0.0714(8) 0.0339(5) 0.1557(3) 0.0281(19) Uani 1 1 d . . .
H60 H -0.1111 0.0470 0.1247 0.034 Uiso 1 1 calc R . .
N1 N 0.6846(7) 0.6404(6) 0.3784(3) 0.044(2) Uani 1 1 d . . .
C61 C 0.8138(9) 0.6482(8) 0.3933(4) 0.050(3) Uani 1 1 d . . .
H61A H 0.8275 0.6047 0.4186 0.060 Uiso 1 1 calc R . .
H61B H 0.8489 0.6259 0.3619 0.060 Uiso 1 1 calc R . .
C62 C 0.8760(9) 0.7425(9) 0.4159(4) 0.058(3) Uani 1 1 d . . .
H62A H 0.8385 0.7678 0.4460 0.069 Uiso 1 1 calc R . .
H62B H 0.8698 0.7854 0.3896 0.069 Uiso 1 1 calc R . .
C63 C 1.0032(10) 0.7404(9) 0.4335(4) 0.058(3) Uani 1 1 d . . .
H63A H 1.0095 0.7006 0.4612 0.070 Uiso 1 1 calc R . .
H63B H 1.0399 0.7118 0.4039 0.070 Uiso 1 1 calc R . .
C64 C 1.0666(12) 0.8371(11) 0.4534(5) 0.087(5) Uani 1 1 d . . .
H64A H 1.1477 0.8327 0.4643 0.131 Uiso 1 1 calc R . .
H64B H 1.0316 0.8652 0.4832 0.131 Uiso 1 1 calc R . .
H64C H 1.0619 0.8764 0.4259 0.131 Uiso 1 1 calc R . .
C65 C 0.6557(10) 0.7025(9) 0.3396(4) 0.062(3) Uani 1 1 d . . .
H65A H 0.6804 0.7685 0.3559 0.074 Uiso 1 1 calc R . .
H65B H 0.5708 0.6943 0.3313 0.074 Uiso 1 1 calc R . .
C66 C 0.7085(11) 0.6872(9) 0.2885(4) 0.066(3) Uani 1 1 d . . .
H66A H 0.7935 0.7019 0.2956 0.079 Uiso 1 1 calc R . .
H66B H 0.6892 0.6205 0.2727 0.079 Uiso 1 1 calc R . .
C67 C 0.6634(12) 0.7496(11) 0.2508(5) 0.089(5) Uani 1 1 d . . .
H67A H 0.5781 0.7383 0.2460 0.107 Uiso 1 1 calc R . .
H67B H 0.6876 0.8163 0.2657 0.107 Uiso 1 1 calc R . .
C68 C 0.7079(15) 0.7307(11) 0.1983(5) 0.108(6) Uani 1 1 d . . .
H68A H 0.6762 0.7712 0.1751 0.163 Uiso 1 1 calc R . .
H68B H 0.6838 0.6648 0.1833 0.163 Uiso 1 1 calc R . .
H68C H 0.7922 0.7439 0.2028 0.163 Uiso 1 1 calc R . .
C69 C 0.6420(9) 0.5386(8) 0.3547(4) 0.051(3) Uani 1 1 d . . .
H69A H 0.5636 0.5360 0.3365 0.061 Uiso 1 1 calc R . .
H69B H 0.6925 0.5199 0.3281 0.061 Uiso 1 1 calc R . .
C70 C 0.6374(11) 0.4670(8) 0.3909(4) 0.060(3) Uani 1 1 d . . .
H70A H 0.5757 0.4762 0.4134 0.072 Uiso 1 1 calc R . .
H70B H 0.7117 0.4739 0.4133 0.072 Uiso 1 1 calc R . .
C71 C 0.6133(12) 0.3699(9) 0.3589(5) 0.070(4) Uani 1 1 d . . .
H71A H 0.5405 0.3652 0.3356 0.084 Uiso 1 1 calc R . .
H71B H 0.6761 0.3616 0.3369 0.084 Uiso 1 1 calc R . .
C72 C 0.6038(15) 0.2932(10) 0.3910(6) 0.097(5) Uani 1 1 d . . .
H72A H 0.5882 0.2324 0.3683 0.146 Uiso 1 1 calc R . .
H72B H 0.5406 0.2999 0.4123 0.146 Uiso 1 1 calc R . .
H72C H 0.6762 0.2963 0.4135 0.146 Uiso 1 1 calc R . .
C73 C 0.6263(10) 0.6666(8) 0.4270(4) 0.055(3) Uani 1 1 d . . .
H73A H 0.6443 0.6236 0.4520 0.066 Uiso 1 1 calc R . .
H73B H 0.6600 0.7309 0.4432 0.066 Uiso 1 1 calc R . .
C74 C 0.4969(10) 0.6628(9) 0.4178(4) 0.060(3) Uani 1 1 d . . .
H74A H 0.4629 0.6032 0.3956 0.072 Uiso 1 1 calc R . .
H74B H 0.4777 0.7153 0.3994 0.072 Uiso 1 1 calc R . .
C75 C 0.4457(12) 0.6699(12) 0.4697(5) 0.088(5) Uani 1 1 d . . .
H75A H 0.4511 0.6113 0.4848 0.106 Uiso 1 1 calc R . .
H75B H 0.4900 0.7227 0.4944 0.106 Uiso 1 1 calc R . .
C76 C 0.3190(11) 0.6856(10) 0.4612(5) 0.082(4) Uani 1 1 d . . .
H76A H 0.2863 0.6885 0.4944 0.123 Uiso 1 1 calc R . .
H76B H 0.2755 0.6337 0.4364 0.123 Uiso 1 1 calc R . .
H76C H 0.3142 0.7448 0.4475 0.123 Uiso 1 1 calc R . .
O2 O 0.6458(7) 0.9408(6) 0.0874(4) 0.077(3) Uani 1 1 d . . .
C77 C 0.6509(8) 0.9609(7) 0.0448(5) 0.042(2) Uani 1 1 d . . .
C78 C 0.7096(11) 1.0555(10) 0.0377(6) 0.097(6) Uani 1 1 d . . .
H78A H 0.7377 1.0924 0.0718 0.146 Uiso 1 1 calc R . .
H78B H 0.6546 1.0884 0.0191 0.146 Uiso 1 1 calc R . .
H78C H 0.7747 1.0475 0.0177 0.146 Uiso 1 1 calc R . .
C79 C 0.6034(13) 0.8981(10) -0.0028(6) 0.108(6) Uani 1 1 d . . .
H79A H 0.5670 0.8388 0.0059 0.162 Uiso 1 1 calc R . .
H79B H 0.6656 0.8859 -0.0240 0.162 Uiso 1 1 calc R . .
H79C H 0.5459 0.9274 -0.0223 0.162 Uiso 1 1 calc R . .
C80 C 0.925(3) 0.186(2) 0.4087(9) 0.121(15) Uani 0.50 1 d P . .
H80A H 1.0059 0.2160 0.4132 0.181 Uiso 0.50 1 calc PR . .
H80B H 0.8930 0.1972 0.4418 0.181 Uiso 0.50 1 calc PR . .
H80C H 0.8809 0.2138 0.3824 0.181 Uiso 0.50 1 calc PR . .
C81 C 0.920(3) 0.083(2) 0.3918(11) 0.091(7) Uani 0.50 1 d P . .
H81A H 0.9646 0.0563 0.4186 0.109 Uiso 0.50 1 calc PR . .
H81B H 0.9560 0.0732 0.3593 0.109 Uiso 0.50 1 calc PR . .
C82 C 0.794(3) 0.032(3) 0.3824(10) 0.105(12) Uani 0.50 1 d P . .
H82A H 0.7987 -0.0362 0.3819 0.126 Uiso 0.50 1 calc PR . .
H82B H 0.7555 0.0525 0.4130 0.126 Uiso 0.50 1 calc PR . .
C83 C 0.722(2) 0.0416(18) 0.3376(10) 0.071(8) Uani 0.50 1 d P . .
H83A H 0.7223 0.1098 0.3375 0.085 Uiso 0.50 1 calc PR . .
H83B H 0.7606 0.0184 0.3073 0.085 Uiso 0.50 1 calc PR . .
C84 C 0.609(3) 0.0006(19) 0.3282(11) 0.085(6) Uani 0.50 1 d P . .
H84A H 0.5673 0.0320 0.3550 0.102 Uiso 0.50 1 calc PR . .
H84B H 0.6074 -0.0655 0.3341 0.102 Uiso 0.50 1 calc PR . .
C85 C 0.5414(18) -0.0001(16) 0.2767(11) 0.075(9) Uani 0.50 1 d P . .
H85A H 0.4618 -0.0288 0.2774 0.112 Uiso 0.50 1 calc PR . .
H85B H 0.5761 -0.0365 0.2496 0.112 Uiso 0.50 1 calc PR . .
H85C H 0.5417 0.0644 0.2695 0.112 Uiso 0.50 1 calc PR . .
C86 C 0.7370(16) 0.9205(12) 0.5248(6) 0.040(5) Uani 0.50 1 d PD . .
H86A H 0.7652 0.8687 0.5039 0.060 Uiso 0.50 1 calc PR . .
H86B H 0.7244 0.9034 0.5589 0.060 Uiso 0.50 1 calc PR . .
H86C H 0.7941 0.9769 0.5290 0.060 Uiso 0.50 1 calc PR . .
C87 C 0.6272(19) 0.939(2) 0.4983(10) 0.091(7) Uani 0.50 1 d PD . .
H87A H 0.6498 0.9673 0.4677 0.109 Uiso 0.50 1 calc PR . .
H87B H 0.5852 0.8763 0.4843 0.109 Uiso 0.50 1 calc PR . .
C88 C 0.538(2) 0.9932(18) 0.5166(10) 0.085(6) Uani 0.50 1 d PD . .
H88A H 0.4998 0.9601 0.5423 0.102 Uiso 0.50 1 calc PR . .
H88B H 0.5759 1.0550 0.5349 0.102 Uiso 0.50 1 calc PR . .


_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 C1 2.051(8) . ?
Pt1 C7 2.083(8) . ?
Pt1 P1 2.257(2) . ?
Pt1 P2 2.304(2) . ?
Pt2 O1 2.098(5) . ?
Pt2 P4 2.2352(19) . ?
Pt2 P3 2.310(2) . ?
Pt2 P2 2.342(2) . ?
Pt3 P4 2.231(2) . ?
Pt3 P3 2.2400(19) . ?
Pt3 Cl1 2.415(2) . ?
Pt3 Cl1 2.4195(18) 2 ?
Cl1 Pt3 2.4195(18) 2 ?
P1 O1 1.555(6) . ?
P1 C13 1.819(8) . ?
P1 C19 1.826(10) . ?
P2 C25 1.824(10) . ?
P2 C31 1.833(8) . ?
P3 C37 1.819(8) . ?
P3 C43 1.828(9) . ?
P4 C49 1.814(9) . ?
P4 C55 1.823(7) . ?
F2 C2 1.377(11) . ?
F3 C3 1.362(12) . ?
F4 C4 1.364(10) . ?
F5 C5 1.348(11) . ?
F6 C6 1.344(11) . ?
F8 C8 1.360(11) . ?
F9 C9 1.354(12) . ?
F10 C10 1.362(11) . ?
F11 C11 1.350(12) . ?
F12 C12 1.354(11) . ?
C1 C2 1.384(14) . ?
C1 C6 1.408(12) . ?
C2 C3 1.366(13) . ?
C3 C4 1.359(15) . ?
C4 C5 1.369(15) . ?
C5 C6 1.361(12) . ?
C7 C12 1.378(13) . ?
C7 C8 1.386(13) . ?
C8 C9 1.371(13) . ?
C9 C10 1.369(16) . ?
C10 C11 1.365(16) . ?
C11 C12 1.395(13) . ?
C13 C14 1.385(12) . ?
C13 C18 1.386(12) . ?
C14 C15 1.382(11) . ?
C14 H14 0.9500 . ?
C15 C16 1.355(14) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.397(11) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.386(14) . ?
C19 C24 1.392(13) . ?
C20 C21 1.375(15) . ?
C20 H20 0.9500 . ?
C21 C22 1.362(19) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(19) . ?
C22 H22 0.9500 . ?
C23 C24 1.406(16) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.391(13) . ?
C25 C26 1.396(13) . ?
C26 C27 1.377(16) . ?
C26 H26 0.9500 . ?
C27 C28 1.35(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.40(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.397(16) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.376(13) . ?
C31 C36 1.393(13) . ?
C32 C33 1.386(14) . ?
C32 H32 0.9500 . ?
C33 C34 1.39(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.354(19) . ?
C34 H34 0.9500 . ?
C35 C36 1.406(15) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.379(11) . ?
C37 C38 1.399(11) . ?
C38 C39 1.385(11) . ?
C38 H38 0.9500 . ?
C39 C40 1.381(13) . ?
C39 H39 0.9500 . ?
C40 C41 1.372(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.399(12) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C48 1.395(12) . ?
C43 C44 1.398(11) . ?
C44 C45 1.378(14) . ?
C44 H44 0.9500 . ?
C45 C46 1.358(15) . ?
C45 H45 0.9500 . ?
C46 C47 1.390(13) . ?
C46 H46 0.9500 . ?
C47 C48 1.386(13) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.400(12) . ?
C49 C54 1.420(11) . ?
C50 C51 1.394(14) . ?
C50 H50 0.9500 . ?
C51 C52 1.406(15) . ?
C51 H51 0.9500 . ?
C52 C53 1.381(15) . ?
C52 H52 0.9500 . ?
C53 C54 1.385(14) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C60 1.377(12) . ?
C55 C56 1.382(12) . ?
C56 C57 1.385(11) . ?
C56 H56 0.9500 . ?
C57 C58 1.363(14) . ?
C57 H57 0.9500 . ?
C58 C59 1.380(13) . ?
C58 H58 0.9500 . ?
C59 C60 1.422(11) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
N1 C65 1.489(12) . ?
N1 C61 1.518(13) . ?
N1 C69 1.526(13) . ?
N1 C73 1.529(12) . ?
C61 C62 1.486(15) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.528(15) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.506(17) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.529(15) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.528(16) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.519(18) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.498(14) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.518(16) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.482(16) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.511(15) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.537(15) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.535(18) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
O2 C77 1.196(12) . ?
C77 C79 1.457(16) . ?
C77 C78 1.503(14) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 C81 1.49(4) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.55(4) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.41(3) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.37(3) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C85 1.49(3) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 C87 1.478(10) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 C88 1.465(10) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 C88 1.23(4) 2_676 ?
C88 H88A 0.9900 . ?
C88 H88B 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
C1 Pt1 C7 89.6(3) . . ?
C1 Pt1 P1 94.0(2) . . ?
C7 Pt1 P1 175.4(2) . . ?
C1 Pt1 P2 175.1(3) . . ?
C7 Pt1 P2 91.5(2) . . ?
P1 Pt1 P2 85.23(7) . . ?
O1 Pt2 P4 169.12(15) . . ?
O1 Pt2 P3 93.78(16) . . ?
P4 Pt2 P3 75.98(7) . . ?
O1 Pt2 P2 85.90(15) . . ?
P4 Pt2 P2 104.88(7) . . ?
P3 Pt2 P2 167.86(8) . . ?
P4 Pt3 P3 77.49(7) . . ?
P4 Pt3 Cl1 176.62(7) . . ?
P3 Pt3 Cl1 99.73(7) . . ?
P4 Pt3 Cl1 98.56(7) . 2 ?
P3 Pt3 Cl1 174.48(7) . 2 ?
Cl1 Pt3 Cl1 84.34(7) . 2 ?
Pt3 Cl1 Pt3 95.66(7) . 2 ?
O1 P1 C13 104.8(4) . . ?
O1 P1 C19 107.5(4) . . ?
C13 P1 C19 103.4(4) . . ?
O1 P1 Pt1 115.2(2) . . ?
C13 P1 Pt1 116.0(3) . . ?
C19 P1 Pt1 109.1(3) . . ?
C25 P2 C31 108.0(4) . . ?
C25 P2 Pt1 106.6(3) . . ?
C31 P2 Pt1 109.8(3) . . ?
C25 P2 Pt2 98.0(3) . . ?
C31 P2 Pt2 118.4(3) . . ?
Pt1 P2 Pt2 114.47(8) . . ?
C37 P3 C43 104.5(4) . . ?
C37 P3 Pt3 113.1(3) . . ?
C43 P3 Pt3 109.7(2) . . ?
C37 P3 Pt2 117.3(3) . . ?
C43 P3 Pt2 110.7(3) . . ?
Pt3 P3 Pt2 101.55(8) . . ?
C49 P4 C55 104.9(4) . . ?
C49 P4 Pt3 106.6(3) . . ?
C55 P4 Pt3 110.1(3) . . ?
C49 P4 Pt2 111.5(3) . . ?
C55 P4 Pt2 119.0(3) . . ?
Pt3 P4 Pt2 104.23(8) . . ?
P1 O1 Pt2 114.7(3) . . ?
C2 C1 C6 112.5(8) . . ?
C2 C1 Pt1 125.8(7) . . ?
C6 C1 Pt1 121.7(7) . . ?
C3 C2 F2 116.8(9) . . ?
C3 C2 C1 124.8(10) . . ?
F2 C2 C1 118.4(8) . . ?
C4 C3 F3 120.5(9) . . ?
C4 C3 C2 119.4(10) . . ?
F3 C3 C2 120.0(10) . . ?
C3 C4 F4 119.9(11) . . ?
C3 C4 C5 119.6(9) . . ?
F4 C4 C5 120.5(10) . . ?
F5 C5 C6 121.1(10) . . ?
F5 C5 C4 119.4(8) . . ?
C6 C5 C4 119.4(9) . . ?
F6 C6 C5 117.0(8) . . ?
F6 C6 C1 118.8(8) . . ?
C5 C6 C1 124.2(10) . . ?
C12 C7 C8 114.1(8) . . ?
C12 C7 Pt1 124.3(7) . . ?
C8 C7 Pt1 121.4(7) . . ?
F8 C8 C9 116.3(9) . . ?
F8 C8 C7 119.4(8) . . ?
C9 C8 C7 124.3(10) . . ?
F9 C9 C10 119.7(9) . . ?
F9 C9 C8 121.3(11) . . ?
C10 C9 C8 119.1(10) . . ?
F10 C10 C11 120.4(11) . . ?
F10 C10 C9 119.5(11) . . ?
C11 C10 C9 120.1(9) . . ?
F11 C11 C10 120.4(9) . . ?
F11 C11 C12 120.7(10) . . ?
C10 C11 C12 118.9(10) . . ?
F12 C12 C7 121.0(8) . . ?
F12 C12 C11 115.3(9) . . ?
C7 C12 C11 123.6(10) . . ?
C14 C13 C18 119.2(7) . . ?
C14 C13 P1 121.3(7) . . ?
C18 C13 P1 119.2(6) . . ?
C15 C14 C13 120.3(9) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 120.7(9) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 120.3(8) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 119.8(9) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C13 C18 C17 119.8(9) . . ?
C13 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 C24 119.0(10) . . ?
C20 C19 P1 119.9(7) . . ?
C24 C19 P1 121.1(8) . . ?
C21 C20 C19 121.8(11) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C22 C21 C20 119.4(14) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 120.8(13) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C24 120.1(12) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C19 C24 C23 118.9(12) . . ?
C19 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C30 C25 C26 119.3(10) . . ?
C30 C25 P2 123.5(8) . . ?
C26 C25 P2 116.4(8) . . ?
C27 C26 C25 120.2(12) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C28 C27 C26 120.9(14) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C27 C28 C29 120.5(13) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C30 C29 C28 119.2(13) . . ?
C30 C29 H29 120.4 . . ?
C28 C29 H29 120.4 . . ?
C25 C30 C29 119.9(11) . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C32 C31 C36 120.0(9) . . ?
C32 C31 P2 117.1(7) . . ?
C36 C31 P2 122.8(8) . . ?
C31 C32 C33 120.6(11) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C34 119.9(12) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C35 C34 C33 119.5(11) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 121.7(12) . . ?
C34 C35 H35 119.2 . . ?
C36 C35 H35 119.2 . . ?
C31 C36 C35 118.4(12) . . ?
C31 C36 H36 120.8 . . ?
C35 C36 H36 120.8 . . ?
C42 C37 C38 119.9(7) . . ?
C42 C37 P3 121.0(6) . . ?
C38 C37 P3 119.0(6) . . ?
C39 C38 C37 120.0(8) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C40 C39 C38 120.2(8) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C41 C40 C39 119.7(8) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C40 C41 C42 121.1(9) . . ?
C40 C41 H41 119.4 . . ?
C42 C41 H41 119.4 . . ?
C37 C42 C41 119.0(8) . . ?
C37 C42 H42 120.5 . . ?
C41 C42 H42 120.5 . . ?
C48 C43 C44 119.3(9) . . ?
C48 C43 P3 121.0(6) . . ?
C44 C43 P3 119.6(7) . . ?
C45 C44 C43 118.9(9) . . ?
C45 C44 H44 120.5 . . ?
C43 C44 H44 120.5 . . ?
C46 C45 C44 121.9(9) . . ?
C46 C45 H45 119.1 . . ?
C44 C45 H45 119.1 . . ?
C45 C46 C47 120.1(10) . . ?
C45 C46 H46 119.9 . . ?
C47 C46 H46 119.9 . . ?
C48 C47 C46 119.2(10) . . ?
C48 C47 H47 120.4 . . ?
C46 C47 H47 120.4 . . ?
C47 C48 C43 120.5(8) . . ?
C47 C48 H48 119.7 . . ?
C43 C48 H48 119.7 . . ?
C50 C49 C54 117.7(8) . . ?
C50 C49 P4 120.7(7) . . ?
C54 C49 P4 121.4(7) . . ?
C51 C50 C49 120.9(9) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C50 C51 C52 119.9(10) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C53 C52 C51 120.1(10) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 119.9(9) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C53 C54 C49 121.4(9) . . ?
C53 C54 H54 119.3 . . ?
C49 C54 H54 119.3 . . ?
C60 C55 C56 118.9(7) . . ?
C60 C55 P4 117.3(6) . . ?
C56 C55 P4 123.6(7) . . ?
C55 C56 C57 120.7(9) . . ?
C55 C56 H56 119.6 . . ?
C57 C56 H56 119.6 . . ?
C58 C57 C56 120.4(9) . . ?
C58 C57 H57 119.8 . . ?
C56 C57 H57 119.8 . . ?
C57 C58 C59 120.8(8) . . ?
C57 C58 H58 119.6 . . ?
C59 C58 H58 119.6 . . ?
C58 C59 C60 118.4(9) . . ?
C58 C59 H59 120.8 . . ?
C60 C59 H59 120.8 . . ?
C55 C60 C59 120.7(8) . . ?
C55 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C65 N1 C61 111.8(8) . . ?
C65 N1 C69 108.8(8) . . ?
C61 N1 C69 107.3(8) . . ?
C65 N1 C73 109.3(8) . . ?
C61 N1 C73 109.4(8) . . ?
C69 N1 C73 110.1(8) . . ?
C62 C61 N1 117.3(9) . . ?
C62 C61 H61A 108.0 . . ?
N1 C61 H61A 108.0 . . ?
C62 C61 H61B 108.0 . . ?
N1 C61 H61B 108.0 . . ?
H61A C61 H61B 107.2 . . ?
C61 C62 C63 112.7(10) . . ?
C61 C62 H62A 109.1 . . ?
C63 C62 H62A 109.1 . . ?
C61 C62 H62B 109.1 . . ?
C63 C62 H62B 109.1 . . ?
H62A C62 H62B 107.8 . . ?
C64 C63 C62 112.1(11) . . ?
C64 C63 H63A 109.2 . . ?
C62 C63 H63A 109.2 . . ?
C64 C63 H63B 109.2 . . ?
C62 C63 H63B 109.2 . . ?
H63A C63 H63B 107.9 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N1 C65 C66 116.6(9) . . ?
N1 C65 H65A 108.1 . . ?
C66 C65 H65A 108.1 . . ?
N1 C65 H65B 108.1 . . ?
C66 C65 H65B 108.1 . . ?
H65A C65 H65B 107.3 . . ?
C67 C66 C65 110.9(10) . . ?
C67 C66 H66A 109.5 . . ?
C65 C66 H66A 109.5 . . ?
C67 C66 H66B 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 108.1 . . ?
C68 C67 C66 111.9(13) . . ?
C68 C67 H67A 109.2 . . ?
C66 C67 H67A 109.2 . . ?
C68 C67 H67B 109.2 . . ?
C66 C67 H67B 109.2 . . ?
H67A C67 H67B 107.9 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 N1 117.2(8) . . ?
C70 C69 H69A 108.0 . . ?
N1 C69 H69A 108.0 . . ?
C70 C69 H69B 108.0 . . ?
N1 C69 H69B 108.0 . . ?
H69A C69 H69B 107.2 . . ?
C69 C70 C71 108.6(9) . . ?
C69 C70 H70A 110.0 . . ?
C71 C70 H70A 110.0 . . ?
C69 C70 H70B 110.0 . . ?
C71 C70 H70B 110.0 . . ?
H70A C70 H70B 108.4 . . ?
C72 C71 C70 113.2(11) . . ?
C72 C71 H71A 108.9 . . ?
C70 C71 H71A 108.9 . . ?
C72 C71 H71B 108.9 . . ?
C70 C71 H71B 108.9 . . ?
H71A C71 H71B 107.7 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 N1 115.1(9) . . ?
C74 C73 H73A 108.5 . . ?
N1 C73 H73A 108.5 . . ?
C74 C73 H73B 108.5 . . ?
N1 C73 H73B 108.5 . . ?
H73A C73 H73B 107.5 . . ?
C73 C74 C75 110.2(10) . . ?
C73 C74 H74A 109.6 . . ?
C75 C74 H74A 109.6 . . ?
C73 C74 H74B 109.6 . . ?
C75 C74 H74B 109.6 . . ?
H74A C74 H74B 108.1 . . ?
C76 C75 C74 109.9(11) . . ?
C76 C75 H75A 109.7 . . ?
C74 C75 H75A 109.7 . . ?
C76 C75 H75B 109.7 . . ?
C74 C75 H75B 109.7 . . ?
H75A C75 H75B 108.2 . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
O2 C77 C79 124.0(11) . . ?
O2 C77 C78 120.2(11) . . ?
C79 C77 C78 115.8(12) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C77 C79 H79A 109.5 . . ?
C77 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C77 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C81 C80 H80A 109.5 . . ?
C81 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C81 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C80 C81 C82 113(3) . . ?
C80 C81 H81A 109.1 . . ?
C82 C81 H81A 109.1 . . ?
C80 C81 H81B 109.1 . . ?
C82 C81 H81B 109.1 . . ?
H81A C81 H81B 107.8 . . ?
C83 C82 C81 119(3) . . ?
C83 C82 H82A 107.5 . . ?
C81 C82 H82A 107.5 . . ?
C83 C82 H82B 107.5 . . ?
C81 C82 H82B 107.5 . . ?
H82A C82 H82B 107.0 . . ?
C84 C83 C82 122(2) . . ?
C84 C83 H83A 106.8 . . ?
C82 C83 H83A 106.8 . . ?
C84 C83 H83B 106.8 . . ?
C82 C83 H83B 106.8 . . ?
H83A C83 H83B 106.7 . . ?
C83 C84 C85 120(2) . . ?
C83 C84 H84A 107.2 . . ?
C85 C84 H84A 107.2 . . ?
C83 C84 H84B 107.2 . . ?
C85 C84 H84B 107.2 . . ?
H84A C84 H84B 106.9 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C87 C86 H86A 109.5 . . ?
C87 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C87 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C88 C87 C86 132(2) . . ?
C88 C87 H87A 104.3 . . ?
C86 C87 H87A 104.3 . . ?
C88 C87 H87B 104.3 . . ?
C86 C87 H87B 104.3 . . ?
H87A C87 H87B 105.6 . . ?
C88 C88 C87 117(3) 2_676 . ?
C88 C88 H88A 108.1 2_676 . ?
C87 C88 H88A 108.1 . . ?
C88 C88 H88B 108.1 2_676 . ?
C87 C88 H88B 108.1 . . ?
H88A C88 H88B 107.3 . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         2.785
_refine_diff_density_min         -1.916
_refine_diff_density_rms         0.165
####################################################################### 
# 
# 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_ial293a
_database_code_depnum_ccdc_archive 'CCDC 1408932'
_audit_update_record             
;
2015-10-22 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C65 H47 F10 O3 P4 Pt3, C16 H36 N, C3 H6 O'
_chemical_formula_sum            'C84 H89 F10 N O4 P4 Pt3'
_chemical_formula_weight         2075.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3303(6)
_cell_length_b                   16.2895(7)
_cell_length_c                   20.5648(9)
_cell_angle_alpha                81.2260(10)
_cell_angle_beta                 82.8610(10)
_cell_angle_gamma                86.7750(10)
_cell_volume                     4047.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9857
_cell_measurement_theta_min      2.219
_cell_measurement_theta_max      28.418

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2032
_exptl_absorpt_coefficient_mu    5.323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4864
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
;
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999).
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            43980
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.50
_diffrn_reflns_theta_max         26.00
_reflns_number_total             15829
_reflns_number_gt                14127
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 At thre end of the refinement some residual peaks (max less than 2 e/Α3) are 
 observed, however they lie close to the metal atoms (closer than 1 Α). 
 They have no chemical sense and may be due to absorption effects.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0281P)²+5.2417P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15829
_refine_ls_number_parameters     950
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0254
_refine_ls_wR_factor_ref         0.0626
_refine_ls_wR_factor_gt          0.0594
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.255852(11) 1.174634(8) 0.219871(7) 0.01723(4) Uani 1 1 d . . .
Pt2 Pt 0.265135(11) 0.930147(9) 0.246900(7) 0.01802(4) Uani 1 1 d . . .
Pt3 Pt 0.285798(12) 0.711164(9) 0.293904(7) 0.02104(4) Uani 1 1 d . . .
P1 P 0.30118(8) 1.08771(6) 0.14405(5) 0.0203(2) Uani 1 1 d . . .
P2 P 0.23185(8) 1.05320(6) 0.29468(5) 0.0189(2) Uani 1 1 d . . .
P3 P 0.24095(8) 0.80550(6) 0.21001(5) 0.0198(2) Uani 1 1 d . . .
P4 P 0.30937(8) 0.83166(6) 0.32886(5) 0.0197(2) Uani 1 1 d . . .
F2 F 0.46171(19) 1.29801(15) 0.17202(12) 0.0332(6) Uani 1 1 d . . .
F3 F 0.4922(2) 1.42575(17) 0.07479(13) 0.0448(7) Uani 1 1 d . . .
F4 F 0.3317(2) 1.47883(17) -0.00398(13) 0.0489(7) Uani 1 1 d . . .
F5 F 0.1380(2) 1.40191(16) 0.01886(12) 0.0408(6) Uani 1 1 d . . .
F6 F 0.10327(18) 1.27550(15) 0.11724(12) 0.0307(5) Uani 1 1 d . . .
F8 F 0.38184(19) 1.24492(15) 0.32831(12) 0.0336(6) Uani 1 1 d . . .
F9 F 0.3114(2) 1.32384(17) 0.43183(13) 0.0465(7) Uani 1 1 d . . .
F10 F 0.0997(3) 1.37937(17) 0.45146(13) 0.0527(8) Uani 1 1 d . . .
F11 F -0.0433(2) 1.34939(16) 0.36724(13) 0.0449(7) Uani 1 1 d . . .
F12 F 0.02313(18) 1.26552(14) 0.26709(11) 0.0295(5) Uani 1 1 d . . .
O1 O 0.2361(2) 1.00623(16) 0.15770(12) 0.0220(6) Uani 1 1 d . . .
O2 O 0.2658(2) 0.60278(17) 0.25399(14) 0.0306(7) Uani 1 1 d . . .
O3 O 0.3302(3) 0.63798(17) 0.37887(14) 0.0339(7) Uani 1 1 d . . .
C1 C 0.2807(3) 1.2797(2) 0.14979(18) 0.0210(8) Uani 1 1 d . . .
C2 C 0.3766(3) 1.3215(2) 0.13546(19) 0.0251(9) Uani 1 1 d . . .
C3 C 0.3960(4) 1.3873(3) 0.0855(2) 0.0309(10) Uani 1 1 d . . .
C4 C 0.3155(4) 1.4149(3) 0.0457(2) 0.0337(10) Uani 1 1 d . . .
C5 C 0.2173(4) 1.3757(3) 0.0580(2) 0.0302(9) Uani 1 1 d . . .
C6 C 0.2023(3) 1.3111(2) 0.10884(19) 0.0238(8) Uani 1 1 d . . .
C7 C 0.2057(3) 1.2482(2) 0.29414(18) 0.0224(8) Uani 1 1 d . . .
C8 C 0.2752(3) 1.2668(2) 0.3374(2) 0.0258(9) Uani 1 1 d . . .
C9 C 0.2406(4) 1.3092(3) 0.3899(2) 0.0336(10) Uani 1 1 d . . .
C10 C 0.1337(4) 1.3375(3) 0.4002(2) 0.0364(11) Uani 1 1 d . . .
C11 C 0.0627(4) 1.3221(3) 0.3577(2) 0.0316(10) Uani 1 1 d . . .
C12 C 0.1000(3) 1.2780(2) 0.30692(19) 0.0243(8) Uani 1 1 d . . .
C13 C 0.2832(3) 1.1309(2) 0.05895(19) 0.0248(9) Uani 1 1 d . . .
C14 C 0.3581(4) 1.1873(3) 0.0232(2) 0.0323(10) Uani 1 1 d . . .
H14 H 0.4232 1.1961 0.0411 0.039 Uiso 1 1 calc R . .
C15 C 0.3384(4) 1.2304(3) -0.0379(2) 0.0385(11) Uani 1 1 d . . .
H15 H 0.3898 1.2682 -0.0621 0.046 Uiso 1 1 calc R . .
C16 C 0.2435(4) 1.2176(3) -0.0630(2) 0.0441(13) Uani 1 1 d . . .
H16 H 0.2278 1.2490 -0.1039 0.053 Uiso 1 1 calc R . .
C17 C 0.1702(4) 1.1596(3) -0.0295(2) 0.0436(12) Uani 1 1 d . . .
H17 H 0.1065 1.1495 -0.0484 0.052 Uiso 1 1 calc R . .
C18 C 0.1903(4) 1.1164(3) 0.0318(2) 0.0337(10) Uani 1 1 d . . .
H18 H 0.1402 1.0768 0.0550 0.040 Uiso 1 1 calc R . .
C19 C 0.4465(3) 1.0570(2) 0.13864(19) 0.0219(8) Uani 1 1 d . . .
C20 C 0.5160(3) 1.0901(3) 0.17548(19) 0.0260(9) Uani 1 1 d . . .
H20 H 0.4891 1.1316 0.2018 0.031 Uiso 1 1 calc R . .
C21 C 0.6242(3) 1.0624(3) 0.1737(2) 0.0296(9) Uani 1 1 d . . .
H21 H 0.6715 1.0846 0.1992 0.035 Uiso 1 1 calc R . .
C22 C 0.6640(4) 1.0026(3) 0.1349(2) 0.0333(10) Uani 1 1 d . . .
H22 H 0.7385 0.9840 0.1337 0.040 Uiso 1 1 calc R . .
C23 C 0.5958(4) 0.9699(3) 0.0981(2) 0.0340(10) Uani 1 1 d . . .
H23 H 0.6234 0.9288 0.0716 0.041 Uiso 1 1 calc R . .
C24 C 0.4871(4) 0.9969(3) 0.0997(2) 0.0299(9) Uani 1 1 d . . .
H24 H 0.4403 0.9744 0.0741 0.036 Uiso 1 1 calc R . .
C25 C 0.2973(3) 1.0630(2) 0.36765(18) 0.0198(8) Uani 1 1 d . . .
C26 C 0.2438(3) 1.0926(2) 0.42374(19) 0.0232(8) Uani 1 1 d . . .
H26 H 0.1671 1.1042 0.4271 0.028 Uiso 1 1 calc R . .
C27 C 0.3022(4) 1.1053(3) 0.4746(2) 0.0291(9) Uani 1 1 d . . .
H27 H 0.2647 1.1246 0.5130 0.035 Uiso 1 1 calc R . .
C28 C 0.4138(4) 1.0901(3) 0.4702(2) 0.0317(10) Uani 1 1 d . . .
H28 H 0.4534 1.0994 0.5050 0.038 Uiso 1 1 calc R . .
C29 C 0.4675(3) 1.0612(3) 0.4143(2) 0.0297(9) Uani 1 1 d . . .
H29 H 0.5443 1.0503 0.4108 0.036 Uiso 1 1 calc R . .
C30 C 0.4097(3) 1.0482(2) 0.3638(2) 0.0253(9) Uani 1 1 d . . .
H30 H 0.4475 1.0288 0.3256 0.030 Uiso 1 1 calc R . .
C31 C 0.0854(3) 1.0414(2) 0.3229(2) 0.0225(8) Uani 1 1 d . . .
C32 C 0.0111(3) 1.0748(3) 0.2794(2) 0.0279(9) Uani 1 1 d . . .
H32 H 0.0354 1.1090 0.2391 0.033 Uiso 1 1 calc R . .
C33 C -0.0996(3) 1.0576(3) 0.2955(2) 0.0348(10) Uani 1 1 d . . .
H33 H -0.1506 1.0810 0.2661 0.042 Uiso 1 1 calc R . .
C34 C -0.1359(3) 1.0070(3) 0.3535(2) 0.0354(11) Uani 1 1 d . . .
H34 H -0.2111 0.9947 0.3634 0.042 Uiso 1 1 calc R . .
C35 C -0.0627(3) 0.9746(3) 0.3966(2) 0.0314(10) Uani 1 1 d . . .
H35 H -0.0877 0.9406 0.4368 0.038 Uiso 1 1 calc R . .
C36 C 0.0476(3) 0.9911(2) 0.3818(2) 0.0263(9) Uani 1 1 d . . .
H36 H 0.0976 0.9682 0.4119 0.032 Uiso 1 1 calc R . .
C37 C 0.0933(3) 0.8024(2) 0.20632(19) 0.0226(8) Uani 1 1 d . . .
C38 C 0.0269(4) 0.8733(3) 0.2075(3) 0.0522(15) Uani 1 1 d . . .
H38 H 0.0588 0.9251 0.2074 0.063 Uiso 1 1 calc R . .
C39 C -0.0847(4) 0.8703(3) 0.2090(3) 0.0581(16) Uani 1 1 d . . .
H39 H -0.1294 0.9197 0.2093 0.070 Uiso 1 1 calc R . .
C40 C -0.1316(4) 0.7948(3) 0.2101(2) 0.0425(12) Uani 1 1 d . . .
H40 H -0.2088 0.7918 0.2130 0.051 Uiso 1 1 calc R . .
C41 C -0.0669(4) 0.7254(3) 0.2069(3) 0.0524(14) Uani 1 1 d . . .
H41 H -0.0984 0.6738 0.2057 0.063 Uiso 1 1 calc R . .
C42 C 0.0451(4) 0.7292(3) 0.2054(3) 0.0481(14) Uani 1 1 d . . .
H42 H 0.0895 0.6798 0.2038 0.058 Uiso 1 1 calc R . .
C43 C 0.2996(3) 0.7836(2) 0.12731(19) 0.0224(8) Uani 1 1 d . . .
C44 C 0.2918(4) 0.8450(3) 0.0730(2) 0.0287(9) Uani 1 1 d . . .
H44 H 0.2592 0.8980 0.0789 0.034 Uiso 1 1 calc R . .
C45 C 0.3312(4) 0.8287(3) 0.0107(2) 0.0363(11) Uani 1 1 d . . .
H45 H 0.3281 0.8714 -0.0261 0.044 Uiso 1 1 calc R . .
C46 C 0.3758(4) 0.7508(3) 0.0005(2) 0.0359(11) Uani 1 1 d . . .
H46 H 0.4012 0.7398 -0.0430 0.043 Uiso 1 1 calc R . .
C47 C 0.3827(4) 0.6895(3) 0.0541(2) 0.0397(11) Uani 1 1 d . . .
H47 H 0.4124 0.6359 0.0477 0.048 Uiso 1 1 calc R . .
C48 C 0.3461(4) 0.7062(3) 0.1175(2) 0.0333(10) Uani 1 1 d . . .
H48 H 0.3529 0.6643 0.1545 0.040 Uiso 1 1 calc R . .
C49 C 0.4535(3) 0.8324(2) 0.34123(19) 0.0227(8) Uani 1 1 d . . .
C50 C 0.5267(3) 0.8802(2) 0.2955(2) 0.0249(9) Uani 1 1 d . . .
H50 H 0.5007 0.9148 0.2587 0.030 Uiso 1 1 calc R . .
C51 C 0.6367(3) 0.8778(3) 0.3034(2) 0.0324(10) Uani 1 1 d . . .
H51 H 0.6858 0.9107 0.2721 0.039 Uiso 1 1 calc R . .
C52 C 0.6752(4) 0.8274(3) 0.3567(2) 0.0338(10) Uani 1 1 d . . .
H52 H 0.7506 0.8261 0.3623 0.041 Uiso 1 1 calc R . .
C53 C 0.6038(4) 0.7787(3) 0.4020(2) 0.0323(10) Uani 1 1 d . . .
H53 H 0.6305 0.7437 0.4384 0.039 Uiso 1 1 calc R . .
C54 C 0.4938(3) 0.7808(3) 0.3943(2) 0.0275(9) Uani 1 1 d . . .
H54 H 0.4453 0.7470 0.4253 0.033 Uiso 1 1 calc R . .
C55 C 0.2369(3) 0.8315(2) 0.41213(19) 0.0235(8) Uani 1 1 d . . .
C56 C 0.2748(3) 0.8729(2) 0.45866(19) 0.0240(8) Uani 1 1 d . . .
H56 H 0.3422 0.9002 0.4485 0.029 Uiso 1 1 calc R . .
C57 C 0.2140(4) 0.8742(3) 0.5201(2) 0.0291(9) Uani 1 1 d . . .
H57 H 0.2404 0.9022 0.5519 0.035 Uiso 1 1 calc R . .
C58 C 0.1156(4) 0.8350(3) 0.5354(2) 0.0377(11) Uani 1 1 d . . .
H58 H 0.0743 0.8365 0.5774 0.045 Uiso 1 1 calc R . .
C59 C 0.0774(4) 0.7938(3) 0.4894(2) 0.0384(11) Uani 1 1 d . . .
H59 H 0.0097 0.7670 0.4997 0.046 Uiso 1 1 calc R . .
C60 C 0.1382(3) 0.7917(3) 0.4280(2) 0.0306(9) Uani 1 1 d . . .
H60 H 0.1120 0.7628 0.3966 0.037 Uiso 1 1 calc R . .
C61 C 0.3015(4) 0.5307(3) 0.2776(2) 0.0342(10) Uani 1 1 d . . .
C62 C 0.3451(4) 0.5089(3) 0.3369(2) 0.0368(11) Uani 1 1 d . . .
H62 H 0.3722 0.4531 0.3465 0.044 Uiso 1 1 calc R . .
C63 C 0.3533(4) 0.5608(3) 0.3841(2) 0.0389(11) Uani 1 1 d . . .
C64 C 0.2906(5) 0.4646(3) 0.2352(2) 0.0501(14) Uani 1 1 d . . .
H64A H 0.2583 0.4896 0.1952 0.075 Uiso 1 1 calc R . .
H64B H 0.2433 0.4214 0.2601 0.075 Uiso 1 1 calc R . .
H64C H 0.3630 0.4399 0.2226 0.075 Uiso 1 1 calc R . .
C65 C 0.3957(6) 0.5246(3) 0.4482(3) 0.076(2) Uani 1 1 d . . .
H65A H 0.3970 0.5683 0.4760 0.115 Uiso 1 1 calc R . .
H65B H 0.4699 0.5010 0.4390 0.115 Uiso 1 1 calc R . .
H65C H 0.3479 0.4807 0.4715 0.115 Uiso 1 1 calc R . .
N1 N 0.7727(3) 0.3977(2) 0.19580(17) 0.0277(8) Uani 1 1 d . . .
C66 C 0.8840(3) 0.4355(3) 0.1912(2) 0.0278(9) Uani 1 1 d . . .
H66A H 0.8839 0.4655 0.2297 0.033 Uiso 1 1 calc R . .
H66B H 0.9397 0.3895 0.1958 0.033 Uiso 1 1 calc R . .
C67 C 0.9201(3) 0.4949(3) 0.1291(2) 0.0331(10) Uani 1 1 d . . .
H67A H 0.8673 0.5428 0.1241 0.040 Uiso 1 1 calc R . .
H67B H 0.9227 0.4662 0.0897 0.040 Uiso 1 1 calc R . .
C68 C 1.0329(4) 0.5251(3) 0.1341(2) 0.0381(11) Uani 1 1 d . . .
H68A H 1.0857 0.4769 0.1370 0.046 Uiso 1 1 calc R . .
H68B H 1.0305 0.5500 0.1753 0.046 Uiso 1 1 calc R . .
C69 C 1.0728(4) 0.5894(4) 0.0748(3) 0.0535(14) Uani 1 1 d . . .
H69A H 1.1454 0.6070 0.0803 0.080 Uiso 1 1 calc R . .
H69B H 1.0215 0.6376 0.0721 0.080 Uiso 1 1 calc R . .
H69C H 1.0770 0.5646 0.0340 0.080 Uiso 1 1 calc R . .
C70 C 0.6842(3) 0.4641(3) 0.1805(2) 0.0311(10) Uani 1 1 d . . .
H70A H 0.7013 0.4913 0.1342 0.037 Uiso 1 1 calc R . .
H70B H 0.6137 0.4367 0.1836 0.037 Uiso 1 1 calc R . .
C71 C 0.6701(4) 0.5304(3) 0.2252(2) 0.0367(11) Uani 1 1 d . . .
H71A H 0.7419 0.5537 0.2272 0.044 Uiso 1 1 calc R . .
H71B H 0.6412 0.5057 0.2706 0.044 Uiso 1 1 calc R . .
C72 C 0.5917(4) 0.5994(3) 0.1991(3) 0.0454(12) Uani 1 1 d . . .
H72A H 0.6193 0.6215 0.1528 0.055 Uiso 1 1 calc R . .
H72B H 0.5195 0.5758 0.1987 0.055 Uiso 1 1 calc R . .
C73 C 0.5774(5) 0.6697(3) 0.2394(3) 0.0630(17) Uani 1 1 d . . .
H73A H 0.5260 0.7120 0.2203 0.094 Uiso 1 1 calc R . .
H73B H 0.6482 0.6944 0.2390 0.094 Uiso 1 1 calc R . .
H73C H 0.5487 0.6486 0.2851 0.094 Uiso 1 1 calc R . .
C74 C 0.7499(3) 0.3520(3) 0.2660(2) 0.0332(10) Uani 1 1 d . . .
H74A H 0.8104 0.3105 0.2739 0.040 Uiso 1 1 calc R . .
H74B H 0.7515 0.3926 0.2971 0.040 Uiso 1 1 calc R . .
C75 C 0.6430(4) 0.3077(3) 0.2831(3) 0.0459(13) Uani 1 1 d . . .
H75A H 0.6379 0.2686 0.2513 0.055 Uiso 1 1 calc R . .
H75B H 0.5809 0.3487 0.2799 0.055 Uiso 1 1 calc R . .
C76 C 0.6373(4) 0.2601(4) 0.3533(3) 0.0625(18) Uani 1 1 d . . .
H76A H 0.5724 0.2252 0.3613 0.075 Uiso 1 1 calc R . .
H76B H 0.7028 0.2224 0.3566 0.075 Uiso 1 1 calc R . .
C77 C 0.6306(6) 0.3139(5) 0.4067(3) 0.096(3) Uani 1 1 d . . .
H77A H 0.6275 0.2788 0.4500 0.144 Uiso 1 1 calc R . .
H77B H 0.5646 0.3503 0.4050 0.144 Uiso 1 1 calc R . .
H77C H 0.6953 0.3478 0.4000 0.144 Uiso 1 1 calc R . .
C78 C 0.7737(4) 0.3388(3) 0.1452(2) 0.0346(10) Uani 1 1 d . . .
H78A H 0.7993 0.3691 0.1010 0.042 Uiso 1 1 calc R . .
H78B H 0.6975 0.3232 0.1441 0.042 Uiso 1 1 calc R . .
C79 C 0.8441(4) 0.2595(3) 0.1568(2) 0.0368(11) Uani 1 1 d . . .
H79A H 0.9176 0.2732 0.1656 0.044 Uiso 1 1 calc R . .
H79B H 0.8106 0.2225 0.1960 0.044 Uiso 1 1 calc R . .
C80 C 0.8543(5) 0.2155(3) 0.0966(3) 0.0627(17) Uani 1 1 d . . .
H80A H 0.7800 0.2076 0.0856 0.075 Uiso 1 1 calc R . .
H80B H 0.8926 0.2517 0.0586 0.075 Uiso 1 1 calc R . .
C81 C 0.9141(5) 0.1328(4) 0.1044(3) 0.0655(17) Uani 1 1 d . . .
H81A H 0.9163 0.1084 0.0636 0.098 Uiso 1 1 calc R . .
H81B H 0.8762 0.0959 0.1413 0.098 Uiso 1 1 calc R . .
H81C H 0.9888 0.1400 0.1135 0.098 Uiso 1 1 calc R . .
O4 O 0.1082(5) 0.4619(3) 0.6840(2) 0.0990(19) Uani 1 1 d . . .
C82 C 0.0795(6) 0.4292(5) 0.6438(3) 0.077(2) Uani 1 1 d . . .
C83 C -0.0303(8) 0.4283(7) 0.6252(5) 0.139(3) Uani 1 1 d . . .
H83A H -0.0759 0.4727 0.6433 0.209 Uiso 1 1 calc R . .
H83B H -0.0620 0.3745 0.6430 0.209 Uiso 1 1 calc R . .
H83C H -0.0272 0.4373 0.5768 0.209 Uiso 1 1 calc R . .
C84 C 0.1457(8) 0.3616(6) 0.6149(5) 0.139(3) Uani 1 1 d . . .
H84A H 0.2198 0.3594 0.6280 0.209 Uiso 1 1 calc R . .
H84B H 0.1496 0.3725 0.5665 0.209 Uiso 1 1 calc R . .
H84C H 0.1116 0.3083 0.6313 0.209 Uiso 1 1 calc R . .


_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 C1 2.073(4) . ?
Pt1 C7 2.096(4) . ?
Pt1 P1 2.2619(10) . ?
Pt1 P2 2.3220(10) . ?
Pt2 O1 2.109(3) . ?
Pt2 P4 2.2400(10) . ?
Pt2 P3 2.3197(10) . ?
Pt2 P2 2.3579(9) . ?
Pt3 O3 2.075(3) . ?
Pt3 O2 2.096(3) . ?
Pt3 P3 2.2308(10) . ?
Pt3 P4 2.2363(10) . ?
P1 O1 1.560(3) . ?
P1 C13 1.820(4) . ?
P1 C19 1.827(4) . ?
P2 C25 1.822(4) . ?
P2 C31 1.838(4) . ?
P3 C37 1.835(4) . ?
P3 C43 1.842(4) . ?
P4 C49 1.827(4) . ?
P4 C55 1.830(4) . ?
F2 C2 1.370(4) . ?
F3 C3 1.351(5) . ?
F4 C4 1.349(5) . ?
F5 C5 1.353(5) . ?
F6 C6 1.362(4) . ?
F8 C8 1.340(5) . ?
F9 C9 1.355(5) . ?
F10 C10 1.353(5) . ?
F11 C11 1.357(5) . ?
F12 C12 1.370(4) . ?
O2 C61 1.276(5) . ?
O3 C63 1.265(5) . ?
C1 C2 1.375(5) . ?
C1 C6 1.385(5) . ?
C2 C3 1.376(6) . ?
C3 C4 1.377(6) . ?
C4 C5 1.377(6) . ?
C5 C6 1.369(6) . ?
C7 C12 1.373(6) . ?
C7 C8 1.385(5) . ?
C8 C9 1.380(6) . ?
C9 C10 1.374(7) . ?
C10 C11 1.369(6) . ?
C11 C12 1.375(5) . ?
C13 C18 1.381(6) . ?
C13 C14 1.398(6) . ?
C14 C15 1.385(6) . ?
C15 C16 1.375(7) . ?
C16 C17 1.388(7) . ?
C17 C18 1.392(6) . ?
C19 C24 1.390(5) . ?
C19 C20 1.392(5) . ?
C20 C21 1.382(6) . ?
C21 C22 1.383(6) . ?
C22 C23 1.376(6) . ?
C23 C24 1.385(6) . ?
C25 C30 1.388(5) . ?
C25 C26 1.394(5) . ?
C26 C27 1.387(5) . ?
C27 C28 1.379(6) . ?
C28 C29 1.387(6) . ?
C29 C30 1.379(6) . ?
C31 C32 1.391(6) . ?
C31 C36 1.398(5) . ?
C32 C33 1.397(6) . ?
C33 C34 1.383(6) . ?
C34 C35 1.372(6) . ?
C35 C36 1.388(6) . ?
C37 C42 1.365(6) . ?
C37 C38 1.380(6) . ?
C38 C39 1.377(7) . ?
C39 C40 1.384(7) . ?
C40 C41 1.352(7) . ?
C41 C42 1.382(7) . ?
C43 C48 1.389(6) . ?
C43 C44 1.390(5) . ?
C44 C45 1.371(6) . ?
C45 C46 1.390(6) . ?
C46 C47 1.377(6) . ?
C47 C48 1.387(6) . ?
C49 C50 1.396(5) . ?
C49 C54 1.398(5) . ?
C50 C51 1.383(6) . ?
C51 C52 1.383(6) . ?
C52 C53 1.386(6) . ?
C53 C54 1.383(6) . ?
C55 C56 1.389(5) . ?
C55 C60 1.392(6) . ?
C56 C57 1.389(5) . ?
C57 C58 1.382(6) . ?
C58 C59 1.382(6) . ?
C59 C60 1.389(6) . ?
C61 C62 1.383(6) . ?
C61 C64 1.508(6) . ?
C62 C63 1.397(6) . ?
C63 C65 1.503(6) . ?
N1 C78 1.518(5) . ?
N1 C70 1.520(5) . ?
N1 C74 1.521(5) . ?
N1 C66 1.523(5) . ?
C66 C67 1.516(6) . ?
C67 C68 1.521(6) . ?
C68 C69 1.532(7) . ?
C70 C71 1.511(6) . ?
C71 C72 1.519(6) . ?
C72 C73 1.503(7) . ?
C74 C75 1.515(6) . ?
C75 C76 1.527(7) . ?
C76 C77 1.497(10) . ?
C78 C79 1.520(6) . ?
C79 C80 1.511(7) . ?
C80 C81 1.494(7) . ?
O4 C82 1.150(7) . ?
C82 C83 1.454(11) . ?
C82 C84 1.486(11) . ?

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
C1 Pt1 C7 90.96(14) . . ?
C1 Pt1 P1 92.84(10) . . ?
C7 Pt1 P1 175.58(11) . . ?
C1 Pt1 P2 177.32(10) . . ?
C7 Pt1 P2 91.70(10) . . ?
P1 Pt1 P2 84.53(3) . . ?
O1 Pt2 P4 168.94(7) . . ?
O1 Pt2 P3 95.53(7) . . ?
P4 Pt2 P3 75.17(3) . . ?
O1 Pt2 P2 84.99(7) . . ?
P4 Pt2 P2 105.70(3) . . ?
P3 Pt2 P2 162.39(3) . . ?
O3 Pt3 O2 89.13(11) . . ?
O3 Pt3 P3 171.70(8) . . ?
O2 Pt3 P3 99.17(8) . . ?
O3 Pt3 P4 94.68(8) . . ?
O2 Pt3 P4 175.79(8) . . ?
P3 Pt3 P4 77.03(4) . . ?
O1 P1 C13 104.52(17) . . ?
O1 P1 C19 107.14(16) . . ?
C13 P1 C19 102.91(18) . . ?
O1 P1 Pt1 114.18(11) . . ?
C13 P1 Pt1 115.62(13) . . ?
C19 P1 Pt1 111.49(13) . . ?
C25 P2 C31 106.50(18) . . ?
C25 P2 Pt1 108.53(12) . . ?
C31 P2 Pt1 109.51(13) . . ?
C25 P2 Pt2 118.60(12) . . ?
C31 P2 Pt2 98.30(12) . . ?
Pt1 P2 Pt2 114.39(4) . . ?
C37 P3 C43 102.64(17) . . ?
C37 P3 Pt3 108.43(13) . . ?
C43 P3 Pt3 114.71(13) . . ?
C37 P3 Pt2 105.21(12) . . ?
C43 P3 Pt2 122.31(13) . . ?
Pt3 P3 Pt2 102.69(4) . . ?
C49 P4 C55 103.83(18) . . ?
C49 P4 Pt3 106.58(12) . . ?
C55 P4 Pt3 109.45(13) . . ?
C49 P4 Pt2 112.23(13) . . ?
C55 P4 Pt2 119.09(13) . . ?
Pt3 P4 Pt2 105.12(4) . . ?
P1 O1 Pt2 113.40(14) . . ?
C61 O2 Pt3 123.9(3) . . ?
C63 O3 Pt3 124.9(3) . . ?
C2 C1 C6 113.1(4) . . ?
C2 C1 Pt1 124.8(3) . . ?
C6 C1 Pt1 121.9(3) . . ?
F2 C2 C1 120.0(3) . . ?
F2 C2 C3 115.2(4) . . ?
C1 C2 C3 124.9(4) . . ?
F3 C3 C2 121.4(4) . . ?
F3 C3 C4 119.2(4) . . ?
C2 C3 C4 119.3(4) . . ?
F4 C4 C3 121.1(4) . . ?
F4 C4 C5 120.5(4) . . ?
C3 C4 C5 118.4(4) . . ?
F5 C5 C6 121.5(4) . . ?
F5 C5 C4 118.8(4) . . ?
C6 C5 C4 119.7(4) . . ?
F6 C6 C5 115.9(4) . . ?
F6 C6 C1 119.5(3) . . ?
C5 C6 C1 124.6(4) . . ?
C12 C7 C8 114.0(3) . . ?
C12 C7 Pt1 123.3(3) . . ?
C8 C7 Pt1 122.6(3) . . ?
F8 C8 C9 117.0(4) . . ?
F8 C8 C7 120.0(4) . . ?
C9 C8 C7 122.9(4) . . ?
F9 C9 C10 119.0(4) . . ?
F9 C9 C8 120.6(4) . . ?
C10 C9 C8 120.4(4) . . ?
F10 C10 C11 121.0(4) . . ?
F10 C10 C9 120.5(4) . . ?
C11 C10 C9 118.6(4) . . ?
F11 C11 C10 119.4(4) . . ?
F11 C11 C12 121.4(4) . . ?
C10 C11 C12 119.2(4) . . ?
F12 C12 C7 120.1(3) . . ?
F12 C12 C11 115.0(4) . . ?
C7 C12 C11 124.8(4) . . ?
C18 C13 C14 119.4(4) . . ?
C18 C13 P1 120.8(3) . . ?
C14 C13 P1 119.4(3) . . ?
C15 C14 C13 120.8(4) . . ?
C16 C15 C14 119.1(5) . . ?
C15 C16 C17 120.9(4) . . ?
C16 C17 C18 119.7(5) . . ?
C13 C18 C17 120.0(4) . . ?
C24 C19 C20 119.5(4) . . ?
C24 C19 P1 119.7(3) . . ?
C20 C19 P1 120.8(3) . . ?
C21 C20 C19 119.9(4) . . ?
C20 C21 C22 120.3(4) . . ?
C23 C22 C21 120.1(4) . . ?
C22 C23 C24 120.1(4) . . ?
C23 C24 C19 120.1(4) . . ?
C30 C25 C26 118.4(4) . . ?
C30 C25 P2 117.2(3) . . ?
C26 C25 P2 124.1(3) . . ?
C27 C26 C25 120.3(4) . . ?
C28 C27 C26 120.8(4) . . ?
C27 C28 C29 119.2(4) . . ?
C30 C29 C28 120.2(4) . . ?
C29 C30 C25 121.2(4) . . ?
C32 C31 C36 119.2(4) . . ?
C32 C31 P2 117.8(3) . . ?
C36 C31 P2 122.4(3) . . ?
C31 C32 C33 119.4(4) . . ?
C34 C33 C32 120.9(4) . . ?
C35 C34 C33 119.6(4) . . ?
C34 C35 C36 120.5(4) . . ?
C35 C36 C31 120.4(4) . . ?
C42 C37 C38 117.9(4) . . ?
C42 C37 P3 121.1(3) . . ?
C38 C37 P3 120.9(3) . . ?
C39 C38 C37 121.1(5) . . ?
C38 C39 C40 119.7(5) . . ?
C41 C40 C39 119.6(4) . . ?
C40 C41 C42 120.1(5) . . ?
C37 C42 C41 121.5(4) . . ?
C48 C43 C44 119.3(4) . . ?
C48 C43 P3 121.7(3) . . ?
C44 C43 P3 118.9(3) . . ?
C45 C44 C43 119.7(4) . . ?
C44 C45 C46 121.1(4) . . ?
C47 C46 C45 119.3(4) . . ?
C46 C47 C48 119.9(4) . . ?
C47 C48 C43 120.5(4) . . ?
C50 C49 C54 118.8(4) . . ?
C50 C49 P4 120.7(3) . . ?
C54 C49 P4 120.4(3) . . ?
C51 C50 C49 120.6(4) . . ?
C52 C51 C50 120.0(4) . . ?
C51 C52 C53 120.1(4) . . ?
C54 C53 C52 120.2(4) . . ?
C53 C54 C49 120.4(4) . . ?
C56 C55 C60 119.2(4) . . ?
C56 C55 P4 122.2(3) . . ?
C60 C55 P4 118.5(3) . . ?
C57 C56 C55 119.9(4) . . ?
C58 C57 C56 120.7(4) . . ?
C59 C58 C57 119.8(4) . . ?
C58 C59 C60 119.9(4) . . ?
C59 C60 C55 120.5(4) . . ?
O2 C61 C62 126.9(4) . . ?
O2 C61 C64 114.0(4) . . ?
C62 C61 C64 119.1(4) . . ?
C61 C62 C63 126.3(4) . . ?
O3 C63 C62 126.8(4) . . ?
O3 C63 C65 114.2(4) . . ?
C62 C63 C65 119.0(4) . . ?
C78 N1 C70 106.4(3) . . ?
C78 N1 C74 111.1(3) . . ?
C70 N1 C74 111.2(3) . . ?
C78 N1 C66 110.6(3) . . ?
C70 N1 C66 111.3(3) . . ?
C74 N1 C66 106.3(3) . . ?
C67 C66 N1 117.3(3) . . ?
C66 C67 C68 109.1(4) . . ?
C67 C68 C69 112.4(4) . . ?
C71 C70 N1 115.1(3) . . ?
C70 C71 C72 110.1(4) . . ?
C73 C72 C71 113.2(4) . . ?
C75 C74 N1 116.6(4) . . ?
C74 C75 C76 109.7(4) . . ?
C77 C76 C75 114.6(5) . . ?
N1 C78 C79 116.0(3) . . ?
C80 C79 C78 109.9(4) . . ?
C81 C80 C79 114.7(5) . . ?
O4 C82 C83 128.2(8) . . ?
O4 C82 C84 122.4(7) . . ?
C83 C82 C84 107.6(7) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.914
_refine_diff_density_min         -0.839
_refine_diff_density_rms         0.107
####################################################################### 
# 
# 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_ial290a
_database_code_depnum_ccdc_archive 'CCDC 1408933'
_audit_update_record             
;
2015-10-22 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'4(C78 H55 Cl F10 O P5 Pt3), 4(C16 H36 N), 4(C H2 Cl2), 2(H2 O)'
_chemical_formula_sum            'C95 H92 Cl3 F10 N O1.50 P5 Pt3'
_chemical_formula_weight         2308.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   13.1529(8)
_cell_length_b                   50.083(3)
_cell_length_c                   13.8499(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.620(1)
_cell_angle_gamma                90.00
_cell_volume                     9042.8(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9607
_cell_measurement_theta_min      2.165
_cell_measurement_theta_max      28.119

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4524
_exptl_absorpt_coefficient_mu    4.875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3874
_exptl_absorpt_correction_T_max  0.5698
_exptl_absorpt_process_details   
; 
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            69176
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -59
_diffrn_reflns_limit_k_max       59
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.54
_diffrn_reflns_theta_max         25.00
_reflns_number_total             15937
_reflns_number_gt                14106
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 The ISOR restraint was applied to some of the atoms in order to avoid 
 unrealistic thermal parameters. 

 H atoms of the lattice H2O or CH2Cl2 molecules have not been located in the 
 model, but have been considered in the calculations. 

 Residual density peaks greater than 1e/A^3 that reamined at the end 
 of the refinement,are located close to the iridium atom andhave no chemical 
 sense.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+217.8095P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15937
_refine_ls_number_parameters     1085
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0770
_refine_ls_wR_factor_ref         0.1534
_refine_ls_wR_factor_gt          0.1498
_refine_ls_goodness_of_fit_ref   1.290
_refine_ls_restrained_S_all      1.297
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.04930(4) 0.147273(10) -0.01909(4) 0.02993(13) Uani 1 1 d . . .
Pt2 Pt 0.06559(4) 0.122316(9) 0.22827(4) 0.02896(13) Uani 1 1 d . . .
Pt3 Pt 0.24368(4) 0.090165(9) 0.40954(4) 0.02634(12) Uani 1 1 d . . .
Cl1 Cl 0.3640(3) 0.10614(7) 0.5405(3) 0.0471(9) Uani 1 1 d . . .
P1 P -0.0384(3) 0.17441(7) 0.1126(3) 0.0338(8) Uani 1 1 d . . .
P2 P -0.0584(3) 0.11336(7) 0.0931(3) 0.0340(8) Uani 1 1 d . . .
P3 P 0.1729(3) 0.13143(6) 0.3699(2) 0.0271(7) Uani 1 1 d . . .
P4 P 0.1310(2) 0.08228(6) 0.2737(2) 0.0216(6) Uani 1 1 d . . .
P5 P 0.3199(2) 0.04869(6) 0.4503(2) 0.0258(7) Uani 1 1 d . . .
F2 F -0.2143(6) 0.18149(16) -0.1703(7) 0.051(2) Uani 1 1 d . . .
F3 F -0.1910(11) 0.2234(2) -0.2796(9) 0.103(5) Uani 1 1 d . . .
F4 F -0.0031(11) 0.2447(2) -0.2891(9) 0.100(4) Uani 1 1 d U . .
F5 F 0.1651(10) 0.2222(3) -0.1834(10) 0.105(5) Uani 1 1 d . . .
F6 F 0.1450(7) 0.1796(2) -0.0741(8) 0.072(3) Uani 1 1 d . . .
F8 F -0.2413(8) 0.1222(2) -0.1557(8) 0.072(3) Uani 1 1 d . . .
F9 F -0.2615(13) 0.0945(3) -0.3197(9) 0.121(5) Uani 1 1 d . . .
F10 F -0.0962(12) 0.0783(2) -0.3985(9) 0.107(4) Uani 1 1 d U . .
F11 F 0.0949(12) 0.0903(3) -0.3022(10) 0.115(5) Uani 1 1 d U . .
F12 F 0.1173(9) 0.1202(2) -0.1370(9) 0.084(4) Uani 1 1 d . . .
O1 O 0.0179(8) 0.16252(16) 0.2063(6) 0.038(2) Uani 1 1 d . . .
C1 C -0.0353(10) 0.1784(2) -0.1140(9) 0.030(3) Uani 1 1 d . . .
C2 C -0.1179(11) 0.1908(3) -0.1696(10) 0.037(3) Uani 1 1 d . . .
C3 C -0.1079(16) 0.2127(3) -0.2278(12) 0.057(5) Uani 1 1 d . . .
C4 C -0.012(2) 0.2229(3) -0.2326(14) 0.072(6) Uani 1 1 d . . .
C5 C 0.0722(16) 0.2115(4) -0.1797(14) 0.061(5) Uani 1 1 d . . .
C6 C 0.0583(11) 0.1895(3) -0.1262(11) 0.042(4) Uani 1 1 d . . .
C7 C -0.0602(14) 0.1227(3) -0.1411(11) 0.050(4) Uani 1 1 d . . .
C8 C -0.1574(14) 0.1152(3) -0.1911(11) 0.046(4) Uani 1 1 d U . .
C9 C -0.1652(19) 0.1003(4) -0.2784(19) 0.090(7) Uani 1 1 d . . .
C10 C -0.0836(15) 0.0930(3) -0.3029(12) 0.048(4) Uani 1 1 d U . .
C11 C 0.0049(17) 0.0975(4) -0.2725(14) 0.066(5) Uani 1 1 d U . .
C12 C 0.0182(16) 0.1120(3) -0.1767(13) 0.059(5) Uani 1 1 d U . .
C13 C 0.0280(11) 0.2056(3) 0.0982(10) 0.037(3) Uani 1 1 d . . .
C14 C -0.0198(12) 0.2277(3) 0.0468(11) 0.041(3) Uani 1 1 d . . .
H14 H -0.0909 0.2270 0.0232 0.050 Uiso 1 1 calc R . .
C15 C 0.0356(14) 0.2502(3) 0.0307(12) 0.051(4) Uani 1 1 d . . .
H15 H 0.0018 0.2653 -0.0005 0.062 Uiso 1 1 calc R . .
C16 C 0.1394(15) 0.2510(4) 0.0597(13) 0.060(5) Uani 1 1 d . . .
H16 H 0.1782 0.2660 0.0445 0.072 Uiso 1 1 calc R . .
C17 C 0.1880(13) 0.2297(3) 0.1113(14) 0.059(5) Uani 1 1 d . . .
H17 H 0.2592 0.2305 0.1346 0.071 Uiso 1 1 calc R . .
C18 C 0.1316(12) 0.2073(3) 0.1281(11) 0.047(4) Uani 1 1 d . . .
H18 H 0.1656 0.1925 0.1615 0.057 Uiso 1 1 calc R . .
C19 C -0.1634(12) 0.1862(3) 0.1408(11) 0.041(4) Uani 1 1 d . . .
C20 C -0.2423(13) 0.1919(3) 0.0687(13) 0.057(5) Uani 1 1 d . . .
H20 H -0.2327 0.1892 0.0026 0.069 Uiso 1 1 calc R . .
C21 C -0.3377(14) 0.2018(4) 0.0900(16) 0.065(5) Uani 1 1 d . . .
H21 H -0.3906 0.2063 0.0391 0.078 Uiso 1 1 calc R . .
C22 C -0.3515(16) 0.2045(3) 0.1825(17) 0.069(6) Uani 1 1 d . . .
H22 H -0.4158 0.2108 0.1973 0.082 Uiso 1 1 calc R . .
C23 C -0.2766(19) 0.1986(4) 0.2570(17) 0.082(7) Uani 1 1 d . . .
H23 H -0.2893 0.2004 0.3226 0.099 Uiso 1 1 calc R . .
C24 C -0.1801(16) 0.1897(3) 0.2364(13) 0.064(5) Uani 1 1 d . . .
H24 H -0.1268 0.1861 0.2881 0.077 Uiso 1 1 calc R . .
C25 C -0.1802(12) 0.1161(2) 0.1426(12) 0.043(4) Uani 1 1 d . . .
C26 C -0.1864(14) 0.1128(3) 0.2405(13) 0.053(4) Uani 1 1 d . . .
H26 H -0.1274 0.1073 0.2828 0.063 Uiso 1 1 calc R . .
C27 C -0.2773(15) 0.1175(4) 0.2781(15) 0.068(5) Uani 1 1 d . . .
H27 H -0.2786 0.1161 0.3464 0.081 Uiso 1 1 calc R . .
C28 C -0.3640(16) 0.1238(4) 0.2194(19) 0.077(6) Uani 1 1 d . . .
H28 H -0.4269 0.1255 0.2455 0.092 Uiso 1 1 calc R . .
C29 C -0.3613(14) 0.1279(4) 0.1227(16) 0.070(5) Uani 1 1 d . . .
H29 H -0.4214 0.1334 0.0817 0.084 Uiso 1 1 calc R . .
C30 C -0.2707(13) 0.1241(3) 0.0845(14) 0.057(4) Uani 1 1 d . . .
H30 H -0.2696 0.1269 0.0169 0.068 Uiso 1 1 calc R . .
C31 C -0.0672(13) 0.0801(3) 0.0379(11) 0.046(4) Uani 1 1 d . . .
C32 C 0.0137(14) 0.0708(3) -0.0067(10) 0.049(4) Uani 1 1 d U . .
H32 H 0.0722 0.0818 -0.0085 0.058 Uiso 1 1 calc R . .
C33 C 0.0113(18) 0.0452(3) -0.0498(11) 0.071(6) Uani 1 1 d . . .
H33 H 0.0679 0.0387 -0.0789 0.086 Uiso 1 1 calc R . .
C34 C -0.0788(15) 0.0294(4) -0.0483(13) 0.064(5) Uani 1 1 d U . .
H34 H -0.0844 0.0125 -0.0799 0.077 Uiso 1 1 calc R . .
C35 C -0.1552(17) 0.0384(3) -0.0025(14) 0.071(6) Uani 1 1 d . . .
H35 H -0.2128 0.0273 0.0032 0.085 Uiso 1 1 calc R . .
C36 C -0.1503(15) 0.0634(3) 0.0360(13) 0.065(6) Uani 1 1 d . . .
H36 H -0.2082 0.0698 0.0634 0.078 Uiso 1 1 calc R . .
C37 C 0.2688(11) 0.1575(3) 0.3614(9) 0.034(3) Uani 1 1 d . . .
C38 C 0.2408(12) 0.1844(3) 0.3612(11) 0.041(3) Uani 1 1 d . . .
H38 H 0.1723 0.1891 0.3683 0.049 Uiso 1 1 calc R . .
C39 C 0.3113(14) 0.2041(3) 0.3507(11) 0.052(4) Uani 1 1 d . . .
H39 H 0.2919 0.2223 0.3524 0.063 Uiso 1 1 calc R . .
C40 C 0.4082(14) 0.1975(4) 0.3380(13) 0.062(5) Uani 1 1 d . . .
H40 H 0.4550 0.2112 0.3259 0.074 Uiso 1 1 calc R . .
C41 C 0.4403(17) 0.1713(4) 0.3424(19) 0.091(8) Uani 1 1 d . . .
H41 H 0.5095 0.1668 0.3370 0.109 Uiso 1 1 calc R . .
C42 C 0.3699(13) 0.1517(3) 0.3548(13) 0.055(4) Uani 1 1 d U . .
H42 H 0.3917 0.1336 0.3590 0.066 Uiso 1 1 calc R . .
C43 C 0.0970(11) 0.1434(3) 0.4636(10) 0.034(3) Uani 1 1 d . . .
C44 C 0.0019(16) 0.1536(4) 0.4351(16) 0.083(6) Uani 1 1 d U . .
H44 H -0.0274 0.1537 0.3686 0.099 Uiso 1 1 calc R . .
C45 C -0.052(2) 0.1641(5) 0.5091(19) 0.103(8) Uani 1 1 d U . .
H45 H -0.1160 0.1725 0.4901 0.123 Uiso 1 1 calc R . .
C46 C -0.0167(18) 0.1630(4) 0.6035(14) 0.074(6) Uani 1 1 d . . .
H46 H -0.0557 0.1696 0.6513 0.089 Uiso 1 1 calc R . .
C47 C 0.0740(15) 0.1522(4) 0.6277(12) 0.059(5) Uani 1 1 d . . .
H47 H 0.1008 0.1510 0.6947 0.070 Uiso 1 1 calc R . .
C48 C 0.1315(13) 0.1426(4) 0.5593(11) 0.053(4) Uani 1 1 d . . .
H48 H 0.1973 0.1353 0.5802 0.064 Uiso 1 1 calc R . .
C49 C 0.2021(10) 0.0688(2) 0.1807(9) 0.030(3) Uani 1 1 d . . .
C50 C 0.2530(13) 0.0868(3) 0.1285(11) 0.050(4) Uani 1 1 d . . .
H50 H 0.2444 0.1054 0.1384 0.060 Uiso 1 1 calc R . .
C51 C 0.3166(16) 0.0784(4) 0.0617(13) 0.071(6) Uani 1 1 d . . .
H51 H 0.3529 0.0910 0.0283 0.085 Uiso 1 1 calc R . .
C52 C 0.3268(16) 0.0515(3) 0.0443(13) 0.067(6) Uani 1 1 d . . .
H52 H 0.3672 0.0456 -0.0036 0.081 Uiso 1 1 calc R . .
C53 C 0.2781(12) 0.0332(3) 0.0965(11) 0.044(4) Uani 1 1 d . . .
H53 H 0.2869 0.0147 0.0856 0.053 Uiso 1 1 calc R . .
C54 C 0.2171(10) 0.0413(2) 0.1639(9) 0.030(3) Uani 1 1 d . . .
H54 H 0.1846 0.0283 0.1995 0.036 Uiso 1 1 calc R . .
C55 C 0.0339(9) 0.0581(2) 0.2981(8) 0.023(3) Uani 1 1 d . . .
C56 C -0.0103(10) 0.0393(3) 0.2316(9) 0.031(3) Uani 1 1 d . . .
H56 H 0.0099 0.0385 0.1684 0.037 Uiso 1 1 calc R . .
C57 C -0.0839(10) 0.0218(3) 0.2572(10) 0.036(3) Uani 1 1 d . . .
H57 H -0.1148 0.0093 0.2106 0.043 Uiso 1 1 calc R . .
C58 C -0.1130(11) 0.0223(3) 0.3493(10) 0.038(3) Uani 1 1 d . . .
H58 H -0.1613 0.0097 0.3672 0.046 Uiso 1 1 calc R . .
C59 C -0.0710(10) 0.0412(3) 0.4152(10) 0.032(3) Uani 1 1 d . . .
H59 H -0.0924 0.0421 0.4780 0.039 Uiso 1 1 calc R . .
C60 C 0.0020(9) 0.0590(3) 0.3905(9) 0.030(3) Uani 1 1 d . . .
H60 H 0.0307 0.0718 0.4367 0.036 Uiso 1 1 calc R . .
C61 C 0.2806(10) 0.0175(2) 0.3866(9) 0.028(3) Uani 1 1 d . . .
C62 C 0.1819(10) 0.0081(3) 0.3940(9) 0.034(3) Uani 1 1 d . . .
H62 H 0.1391 0.0169 0.4341 0.041 Uiso 1 1 calc R . .
C63 C 0.1480(11) -0.0146(3) 0.3407(10) 0.039(3) Uani 1 1 d . . .
H63 H 0.0801 -0.0209 0.3426 0.047 Uiso 1 1 calc R . .
C64 C 0.2117(13) -0.0283(3) 0.2850(11) 0.045(4) Uani 1 1 d . . .
H64 H 0.1874 -0.0437 0.2491 0.055 Uiso 1 1 calc R . .
C65 C 0.3091(12) -0.0194(3) 0.2823(10) 0.041(4) Uani 1 1 d . . .
H65 H 0.3531 -0.0290 0.2455 0.049 Uiso 1 1 calc R . .
C66 C 0.3442(11) 0.0031(3) 0.3319(10) 0.035(3) Uani 1 1 d . . .
H66 H 0.4125 0.0089 0.3293 0.042 Uiso 1 1 calc R . .
C67 C 0.4540(10) 0.0525(3) 0.4312(10) 0.030(3) Uani 1 1 d . . .
C68 C 0.4700(10) 0.0596(3) 0.3372(10) 0.038(3) Uani 1 1 d . . .
H68 H 0.4130 0.0616 0.2879 0.045 Uiso 1 1 calc R . .
C69 C 0.5694(11) 0.0639(3) 0.3151(12) 0.047(4) Uani 1 1 d . . .
H69 H 0.5811 0.0689 0.2512 0.056 Uiso 1 1 calc R . .
C70 C 0.6510(11) 0.0608(3) 0.3896(12) 0.048(4) Uani 1 1 d . . .
H70 H 0.7193 0.0630 0.3756 0.058 Uiso 1 1 calc R . .
C71 C 0.6344(11) 0.0546(3) 0.4827(13) 0.048(4) Uani 1 1 d . . .
H71 H 0.6905 0.0532 0.5333 0.057 Uiso 1 1 calc R . .
C72 C 0.5349(10) 0.0502(3) 0.5022(11) 0.036(3) Uani 1 1 d . . .
H72 H 0.5233 0.0457 0.5664 0.044 Uiso 1 1 calc R . .
C73 C 0.3178(9) 0.0382(3) 0.5749(9) 0.030(3) Uani 1 1 d . . .
C74 C 0.2602(10) 0.0522(3) 0.6368(10) 0.035(3) Uani 1 1 d . . .
H74 H 0.2234 0.0678 0.6134 0.042 Uiso 1 1 calc R . .
C75 C 0.2562(11) 0.0439(3) 0.7299(11) 0.044(4) Uani 1 1 d . . .
H75 H 0.2139 0.0532 0.7691 0.053 Uiso 1 1 calc R . .
C76 C 0.3122(11) 0.0222(3) 0.7684(11) 0.040(3) Uani 1 1 d . . .
H76 H 0.3118 0.0173 0.8345 0.048 Uiso 1 1 calc R . .
C77 C 0.3689(10) 0.0079(3) 0.7093(11) 0.039(3) Uani 1 1 d . . .
H77 H 0.4054 -0.0076 0.7339 0.047 Uiso 1 1 calc R . .
C78 C 0.3728(10) 0.0161(3) 0.6130(10) 0.035(3) Uani 1 1 d . . .
H78 H 0.4135 0.0064 0.5734 0.042 Uiso 1 1 calc R . .
C79 C 0.4385(14) 0.1240(4) 0.7837(13) 0.063(5) Uani 1 1 d . . .
H79A H 0.3731 0.1210 0.8100 0.075 Uiso 1 1 calc R . .
H79B H 0.4295 0.1171 0.7161 0.075 Uiso 1 1 calc R . .
N1 N 0.4557(10) 0.1540(3) 0.7790(10) 0.058(4) Uani 1 1 d . . .
C80 C 0.5197(14) 0.1074(4) 0.8426(15) 0.074(6) Uani 1 1 d . . .
H80A H 0.5853 0.1095 0.8156 0.089 Uiso 1 1 calc R . .
H80B H 0.5301 0.1141 0.9105 0.089 Uiso 1 1 calc R . .
C81 C 0.4935(16) 0.0787(4) 0.8435(14) 0.068(5) Uani 1 1 d . . .
H81A H 0.4909 0.0715 0.7765 0.082 Uiso 1 1 calc R . .
H81B H 0.4243 0.0767 0.8632 0.082 Uiso 1 1 calc R . .
C82 C 0.569(2) 0.0621(6) 0.912(2) 0.129(7) Uani 1 1 d . . .
H82A H 0.5466 0.0434 0.9092 0.193 Uiso 1 1 calc R . .
H82B H 0.5713 0.0688 0.9783 0.193 Uiso 1 1 calc R . .
H82C H 0.6373 0.0633 0.8912 0.193 Uiso 1 1 calc R . .
C83 C 0.3643(15) 0.1656(4) 0.7135(13) 0.068(5) Uani 1 1 d . . .
H83A H 0.3590 0.1562 0.6502 0.082 Uiso 1 1 calc R . .
H83B H 0.3017 0.1612 0.7429 0.082 Uiso 1 1 calc R . .
C84 C 0.3633(14) 0.1944(3) 0.6938(14) 0.059(5) Uani 1 1 d . . .
H84A H 0.4242 0.1992 0.6625 0.071 Uiso 1 1 calc R . .
H84B H 0.3673 0.2043 0.7562 0.071 Uiso 1 1 calc R . .
C85 C 0.2677(18) 0.2028(4) 0.6285(14) 0.077(6) Uani 1 1 d . . .
H85A H 0.2634 0.1923 0.5674 0.093 Uiso 1 1 calc R . .
H85B H 0.2075 0.1980 0.6608 0.093 Uiso 1 1 calc R . .
C86 C 0.261(2) 0.2311(4) 0.6035(16) 0.092(7) Uani 1 1 d . . .
H86A H 0.1963 0.2346 0.5615 0.137 Uiso 1 1 calc R . .
H86B H 0.3186 0.2361 0.5692 0.137 Uiso 1 1 calc R . .
H86C H 0.2632 0.2418 0.6632 0.137 Uiso 1 1 calc R . .
C87 C 0.5539(14) 0.1617(5) 0.7402(13) 0.074(6) Uani 1 1 d . . .
H87A H 0.6128 0.1551 0.7859 0.089 Uiso 1 1 calc R . .
H87B H 0.5586 0.1815 0.7388 0.089 Uiso 1 1 calc R . .
C88 C 0.5636(16) 0.1509(6) 0.6377(14) 0.095(8) Uani 1 1 d . . .
H88A H 0.5585 0.1312 0.6379 0.114 Uiso 1 1 calc R . .
H88B H 0.5065 0.1579 0.5907 0.114 Uiso 1 1 calc R . .
C89 C 0.6633(17) 0.1590(6) 0.6066(17) 0.111(10) Uani 1 1 d . . .
H89A H 0.6650 0.1786 0.5983 0.134 Uiso 1 1 calc R . .
H89B H 0.7202 0.1539 0.6574 0.134 Uiso 1 1 calc R . .
C90 C 0.676(2) 0.1464(6) 0.518(2) 0.129(7) Uani 1 1 d U . .
H90A H 0.7422 0.1518 0.4980 0.193 Uiso 1 1 calc R . .
H90B H 0.6205 0.1517 0.4674 0.193 Uiso 1 1 calc R . .
H90C H 0.6754 0.1270 0.5263 0.193 Uiso 1 1 calc R . .
C91 C 0.4636(13) 0.1672(4) 0.8800(13) 0.058(5) Uani 1 1 d . . .
H91A H 0.5321 0.1632 0.9159 0.070 Uiso 1 1 calc R . .
H91B H 0.4587 0.1868 0.8712 0.070 Uiso 1 1 calc R . .
C92 C 0.3819(13) 0.1584(4) 0.9428(14) 0.069(5) Uani 1 1 d . . .
H92A H 0.3132 0.1599 0.9042 0.082 Uiso 1 1 calc R . .
H92B H 0.3930 0.1394 0.9609 0.082 Uiso 1 1 calc R . .
C93 C 0.3851(14) 0.1749(4) 1.0340(12) 0.063(5) Uani 1 1 d . . .
H93A H 0.3487 0.1921 1.0197 0.075 Uiso 1 1 calc R . .
H93B H 0.4568 0.1787 1.0618 0.075 Uiso 1 1 calc R . .
C94 C 0.3318(17) 0.1583(5) 1.1046(16) 0.091(7) Uani 1 1 d . . .
H94A H 0.3320 0.1681 1.1659 0.136 Uiso 1 1 calc R . .
H94B H 0.3682 0.1413 1.1173 0.136 Uiso 1 1 calc R . .
H94C H 0.2608 0.1548 1.0761 0.136 Uiso 1 1 calc R . .
Cl2 Cl 0.6015(7) 0.23612(16) 0.8322(5) 0.126(3) Uani 1 1 d . A .
Cl3 Cl 0.4171(10) 0.2504(2) 0.9111(8) 0.141(4) Uani 0.75 1 d P A 1
Cl3' Cl 0.508(3) 0.2753(6) 0.944(2) 0.117(10) Uani 0.25 1 d P A 2
C95 C 0.510(3) 0.2614(5) 0.833(3) 0.133(12) Uani 1 1 d . . .
O2 O 0.527(4) 0.0117(9) 0.987(4) 0.064(13) Uani 0.25 1 d PU . .
O3 O 0.674(3) 0.0400(8) 0.115(3) 0.043(11) Uani 0.25 1 d P . .


_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 C1 2.065(13) . ?
Pt1 C7 2.082(15) . ?
Pt1 P1 2.264(3) . ?
Pt1 P2 2.316(4) . ?
Pt2 O1 2.119(8) . ?
Pt2 P4 2.239(3) . ?
Pt2 P3 2.305(3) . ?
Pt2 P2 2.357(3) . ?
Pt3 P4 2.270(3) . ?
Pt3 P3 2.303(3) . ?
Pt3 P5 2.343(3) . ?
Pt3 Cl1 2.382(3) . ?
P1 O1 1.527(10) . ?
P1 C13 1.814(15) . ?
P1 C19 1.837(15) . ?
P2 C25 1.829(17) . ?
P2 C31 1.831(14) . ?
P3 C37 1.829(14) . ?
P3 C43 1.840(13) . ?
P4 C49 1.819(13) . ?
P4 C55 1.824(12) . ?
P5 C73 1.806(14) . ?
P5 C67 1.828(13) . ?
P5 C61 1.833(13) . ?
F2 C2 1.351(16) . ?
F3 C3 1.337(19) . ?
F4 C4 1.361(19) . ?
F5 C5 1.34(2) . ?
F6 C6 1.361(18) . ?
F8 C8 1.315(19) . ?
F9 C9 1.35(2) . ?
F10 C10 1.50(2) . ?
F11 C11 1.35(2) . ?
F12 C12 1.41(2) . ?
C1 C6 1.381(19) . ?
C1 C2 1.391(18) . ?
C2 C3 1.38(2) . ?
C3 C4 1.37(3) . ?
C4 C5 1.37(3) . ?
C5 C6 1.35(2) . ?
C7 C12 1.31(2) . ?
C7 C8 1.42(2) . ?
C8 C9 1.41(3) . ?
C9 C10 1.22(3) . ?
C10 C11 1.21(2) . ?
C11 C12 1.50(3) . ?
C13 C18 1.37(2) . ?
C13 C14 1.417(19) . ?
C14 C15 1.38(2) . ?
C15 C16 1.37(2) . ?
C16 C17 1.39(2) . ?
C17 C18 1.38(2) . ?
C19 C20 1.37(2) . ?
C19 C24 1.38(2) . ?
C20 C21 1.41(2) . ?
C21 C22 1.32(3) . ?
C22 C23 1.36(3) . ?
C23 C24 1.41(3) . ?
C25 C26 1.38(2) . ?
C25 C30 1.40(2) . ?
C26 C27 1.39(2) . ?
C27 C28 1.35(3) . ?
C28 C29 1.36(3) . ?
C29 C30 1.38(2) . ?
C31 C36 1.37(2) . ?
C31 C32 1.38(2) . ?
C32 C33 1.41(2) . ?
C33 C34 1.43(3) . ?
C34 C35 1.34(3) . ?
C35 C36 1.36(2) . ?
C37 C42 1.38(2) . ?
C37 C38 1.396(19) . ?
C38 C39 1.38(2) . ?
C39 C40 1.35(2) . ?
C40 C41 1.38(2) . ?
C41 C42 1.38(2) . ?
C43 C48 1.34(2) . ?
C43 C44 1.36(2) . ?
C44 C45 1.42(3) . ?
C45 C46 1.33(3) . ?
C46 C47 1.31(3) . ?
C47 C48 1.37(2) . ?
C49 C50 1.384(19) . ?
C49 C54 1.418(17) . ?
C50 C51 1.39(2) . ?
C51 C52 1.38(2) . ?
C52 C53 1.38(2) . ?
C53 C54 1.370(19) . ?
C55 C56 1.389(17) . ?
C55 C60 1.399(17) . ?
C56 C57 1.386(19) . ?
C57 C58 1.380(19) . ?
C58 C59 1.381(18) . ?
C59 C60 1.384(18) . ?
C61 C62 1.397(18) . ?
C61 C66 1.403(18) . ?
C62 C63 1.397(19) . ?
C63 C64 1.39(2) . ?
C64 C65 1.36(2) . ?
C65 C66 1.367(18) . ?
C67 C72 1.354(18) . ?
C67 C68 1.392(19) . ?
C68 C69 1.400(19) . ?
C69 C70 1.40(2) . ?
C70 C71 1.37(2) . ?
C71 C72 1.388(19) . ?
C73 C78 1.390(18) . ?
C73 C74 1.405(18) . ?
C74 C75 1.364(19) . ?
C75 C76 1.38(2) . ?
C76 C77 1.38(2) . ?
C77 C78 1.40(2) . ?
C79 C80 1.51(3) . ?
C79 N1 1.52(2) . ?
N1 C87 1.51(2) . ?
N1 C83 1.52(2) . ?
N1 C91 1.54(2) . ?
C80 C81 1.48(3) . ?
C81 C82 1.52(3) . ?
C83 C84 1.47(2) . ?
C84 C85 1.51(3) . ?
C85 C86 1.46(2) . ?
C87 C88 1.54(2) . ?
C88 C89 1.49(3) . ?
C89 C90 1.41(3) . ?
C91 C92 1.53(2) . ?
C92 C93 1.51(2) . ?
C93 C94 1.52(3) . ?
Cl2 C95 1.75(3) . ?
Cl3 C95 1.81(3) . ?
Cl3' C95 1.69(4) . ?
O2 O2 1.44(9) 3_657 ?

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
C1 Pt1 C7 86.2(5) . . ?
C1 Pt1 P1 93.3(3) . . ?
C7 Pt1 P1 179.4(4) . . ?
C1 Pt1 P2 177.0(4) . . ?
C7 Pt1 P2 96.1(4) . . ?
P1 Pt1 P2 84.45(12) . . ?
O1 Pt2 P4 170.7(3) . . ?
O1 Pt2 P3 94.0(3) . . ?
P4 Pt2 P3 76.66(11) . . ?
O1 Pt2 P2 84.6(3) . . ?
P4 Pt2 P2 104.62(11) . . ?
P3 Pt2 P2 174.03(13) . . ?
P4 Pt3 P3 76.08(11) . . ?
P4 Pt3 P5 104.91(11) . . ?
P3 Pt3 P5 178.53(12) . . ?
P4 Pt3 Cl1 169.89(12) . . ?
P3 Pt3 Cl1 95.00(12) . . ?
P5 Pt3 Cl1 83.93(12) . . ?
O1 P1 C13 104.1(6) . . ?
O1 P1 C19 107.0(6) . . ?
C13 P1 C19 101.7(6) . . ?
O1 P1 Pt1 115.0(4) . . ?
C13 P1 Pt1 114.1(5) . . ?
C19 P1 Pt1 113.7(5) . . ?
C25 P2 C31 102.4(7) . . ?
C25 P2 Pt1 108.8(5) . . ?
C31 P2 Pt1 113.2(5) . . ?
C25 P2 Pt2 103.6(5) . . ?
C31 P2 Pt2 120.2(5) . . ?
Pt1 P2 Pt2 107.54(14) . . ?
C37 P3 C43 104.8(6) . . ?
C37 P3 Pt3 113.3(5) . . ?
C43 P3 Pt3 111.4(5) . . ?
C37 P3 Pt2 115.9(4) . . ?
C43 P3 Pt2 109.7(5) . . ?
Pt3 P3 Pt2 101.99(12) . . ?
C49 P4 C55 108.9(6) . . ?
C49 P4 Pt2 110.3(4) . . ?
C55 P4 Pt2 113.2(4) . . ?
C49 P4 Pt3 108.1(4) . . ?
C55 P4 Pt3 111.0(4) . . ?
Pt2 P4 Pt3 105.16(12) . . ?
C73 P5 C67 107.8(6) . . ?
C73 P5 C61 100.0(6) . . ?
C67 P5 C61 103.6(6) . . ?
C73 P5 Pt3 115.3(4) . . ?
C67 P5 Pt3 105.3(4) . . ?
C61 P5 Pt3 123.6(4) . . ?
P1 O1 Pt2 126.4(5) . . ?
C6 C1 C2 113.3(13) . . ?
C6 C1 Pt1 122.6(10) . . ?
C2 C1 Pt1 124.1(10) . . ?
F2 C2 C3 115.6(14) . . ?
F2 C2 C1 120.9(12) . . ?
C3 C2 C1 123.4(15) . . ?
F3 C3 C4 121.2(17) . . ?
F3 C3 C2 119.9(18) . . ?
C4 C3 C2 118.9(16) . . ?
F4 C4 C5 121(2) . . ?
F4 C4 C3 118(2) . . ?
C5 C4 C3 120.4(15) . . ?
F5 C5 C6 122(2) . . ?
F5 C5 C4 119.5(18) . . ?
C6 C5 C4 118.1(17) . . ?
C5 C6 F6 115.0(15) . . ?
C5 C6 C1 125.6(16) . . ?
F6 C6 C1 119.1(14) . . ?
C12 C7 C8 114.2(16) . . ?
C12 C7 Pt1 124.9(15) . . ?
C8 C7 Pt1 120.8(12) . . ?
F8 C8 C9 119.4(16) . . ?
F8 C8 C7 119.6(13) . . ?
C9 C8 C7 121.0(18) . . ?
C10 C9 F9 129(3) . . ?
C10 C9 C8 115(2) . . ?
F9 C9 C8 116(2) . . ?
C11 C10 C9 134(2) . . ?
C11 C10 F10 112.8(17) . . ?
C9 C10 F10 113(2) . . ?
C10 C11 F11 133(2) . . ?
C10 C11 C12 113.2(18) . . ?
F11 C11 C12 113.1(19) . . ?
C7 C12 F12 117.9(17) . . ?
C7 C12 C11 121.5(18) . . ?
F12 C12 C11 118.7(17) . . ?
C18 C13 C14 117.4(14) . . ?
C18 C13 P1 119.5(11) . . ?
C14 C13 P1 122.7(11) . . ?
C15 C14 C13 120.9(15) . . ?
C16 C15 C14 120.1(16) . . ?
C15 C16 C17 120.1(15) . . ?
C18 C17 C16 119.3(16) . . ?
C13 C18 C17 122.1(16) . . ?
C20 C19 C24 118.0(16) . . ?
C20 C19 P1 121.6(12) . . ?
C24 C19 P1 120.3(13) . . ?
C19 C20 C21 121.8(17) . . ?
C22 C21 C20 118(2) . . ?
C21 C22 C23 122.2(18) . . ?
C22 C23 C24 119.7(19) . . ?
C19 C24 C23 119.7(19) . . ?
C26 C25 C30 116.1(16) . . ?
C26 C25 P2 121.9(12) . . ?
C30 C25 P2 121.7(13) . . ?
C25 C26 C27 121.1(17) . . ?
C28 C27 C26 121(2) . . ?
C27 C28 C29 120.0(19) . . ?
C28 C29 C30 119.6(19) . . ?
C29 C30 C25 122.0(18) . . ?
C36 C31 C32 116.5(15) . . ?
C36 C31 P2 124.6(13) . . ?
C32 C31 P2 118.9(13) . . ?
C31 C32 C33 121.3(18) . . ?
C32 C33 C34 118.0(19) . . ?
C35 C34 C33 119.9(18) . . ?
C34 C35 C36 120(2) . . ?
C35 C36 C31 124(2) . . ?
C42 C37 C38 117.4(13) . . ?
C42 C37 P3 122.3(11) . . ?
C38 C37 P3 120.3(11) . . ?
C39 C38 C37 120.8(15) . . ?
C40 C39 C38 120.0(15) . . ?
C39 C40 C41 121.0(17) . . ?
C42 C41 C40 118.6(18) . . ?
C41 C42 C37 122.0(16) . . ?
C48 C43 C44 118.4(15) . . ?
C48 C43 P3 122.9(12) . . ?
C44 C43 P3 118.8(13) . . ?
C43 C44 C45 117(2) . . ?
C46 C45 C44 124(2) . . ?
C47 C46 C45 116.9(18) . . ?
C46 C47 C48 122.2(18) . . ?
C43 C48 C47 121.7(17) . . ?
C50 C49 C54 117.5(12) . . ?
C50 C49 P4 117.2(10) . . ?
C54 C49 P4 125.0(10) . . ?
C49 C50 C51 121.5(14) . . ?
C52 C51 C50 119.7(15) . . ?
C51 C52 C53 119.7(15) . . ?
C54 C53 C52 121.1(14) . . ?
C53 C54 C49 120.4(12) . . ?
C56 C55 C60 118.5(12) . . ?
C56 C55 P4 124.7(10) . . ?
C60 C55 P4 116.8(9) . . ?
C57 C56 C55 120.2(12) . . ?
C58 C57 C56 121.0(13) . . ?
C57 C58 C59 119.1(13) . . ?
C58 C59 C60 120.6(13) . . ?
C59 C60 C55 120.5(12) . . ?
C62 C61 C66 119.4(12) . . ?
C62 C61 P5 117.3(10) . . ?
C66 C61 P5 123.3(10) . . ?
C61 C62 C63 118.1(13) . . ?
C64 C63 C62 121.3(14) . . ?
C65 C64 C63 119.5(13) . . ?
C64 C65 C66 120.8(14) . . ?
C65 C66 C61 120.7(14) . . ?
C72 C67 C68 119.9(13) . . ?
C72 C67 P5 124.5(11) . . ?
C68 C67 P5 115.5(10) . . ?
C67 C68 C69 120.4(13) . . ?
C70 C69 C68 118.0(15) . . ?
C71 C70 C69 121.2(14) . . ?
C70 C71 C72 119.3(14) . . ?
C67 C72 C71 121.1(15) . . ?
C78 C73 C74 117.5(13) . . ?
C78 C73 P5 121.4(10) . . ?
C74 C73 P5 121.1(10) . . ?
C75 C74 C73 121.0(13) . . ?
C74 C75 C76 121.4(14) . . ?
C75 C76 C77 118.9(14) . . ?
C76 C77 C78 120.2(13) . . ?
C73 C78 C77 120.8(13) . . ?
C80 C79 N1 118.1(15) . . ?
C87 N1 C83 109.6(15) . . ?
C87 N1 C79 113.9(15) . . ?
C83 N1 C79 106.9(13) . . ?
C87 N1 C91 104.9(12) . . ?
C83 N1 C91 109.4(13) . . ?
C79 N1 C91 112.1(14) . . ?
C81 C80 C79 113.1(16) . . ?
C80 C81 C82 113.7(19) . . ?
C84 C83 N1 118.2(16) . . ?
C83 C84 C85 111.7(15) . . ?
C86 C85 C84 115.5(19) . . ?
N1 C87 C88 114.6(15) . . ?
C89 C88 C87 110.7(17) . . ?
C90 C89 C88 110(2) . . ?
C92 C91 N1 115.1(14) . . ?
C93 C92 C91 111.9(16) . . ?
C92 C93 C94 105.9(17) . . ?
Cl3' C95 Cl2 113(2) . . ?
Cl3' C95 Cl3 59.6(15) . . ?
Cl2 C95 Cl3 107.7(14) . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.665
_refine_diff_density_min         -2.488
_refine_diff_density_rms         0.195
####################################################################### 
# 
# 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_ial296a
_database_code_depnum_ccdc_archive 'CCDC 1408934'
_audit_update_record             
;
2015-09-09 deposited with the CCDC.
2015-10-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'4(C78 H55 F10 O P5 Pt3), 6(C H2 Cl2), 2(C H2 Cl Cl)'
_chemical_formula_sum            'C80 H59 Cl4 F10 O P5 Pt3'
_chemical_formula_weight         2108.19

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   15.5689(8)
_cell_length_b                   25.4115(13)
_cell_length_c                   19.2739(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 96.1080(10)
_cell_angle_gamma                90.00
_cell_volume                     7582.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9980
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      28.50

_exptl_crystal_description       plate
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.847
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4056
_exptl_absorpt_coefficient_mu    5.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3347
_exptl_absorpt_correction_T_max  0.7590
_exptl_absorpt_process_details   
; 
SADABS; Area-Detector Absorption Correction. Bruker-AXS
within SAINT+ package, v. 6.02 (1999)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56999
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.54
_diffrn_reflns_theta_max         25.00
_reflns_number_total             13341
_reflns_number_gt                10808
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_cell_refinement       'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_data_reduction        'SAINT+ 6.02 (Bruker AXS, 1999)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP, SHELXTL v. 6.10 (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL v. 6.10 (Bruker, 2000)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 

 Areas of electron density have been modelled as lattice dichloromethane 
 located in 3 different sites.A CH2Cl2 molecule has been refined at full 
 occupancy, another CH2Cl2 molecule at has been refined at 0.5 occupancy 
 and a third molecule has been refined at 0.5 occupacy but is located over 
 two sites related by symmetry with a Cl atom (Cl6) in a special position.

 One of the lattice dichloromethane molecules (C80, Cl3, Cl4) has been refined 
 with loose restraints in the atom distances (DFIX).
 
 The ISOR restraint was applied to some of the atoms in order to avoid 
 unrealistic thermal parameters. 

 At the end of the refinement there are some residual density peaks greater 
 than 1e/A^3. They are located close to the platinum atoms and have no chemical 
 meaning.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0646P)²+120.2042P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13341
_refine_ls_number_parameters     952
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0616
_refine_ls_wR_factor_ref         0.1543
_refine_ls_wR_factor_gt          0.1465
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_restrained_S_all      1.161
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.43582(3) 0.177797(17) 0.34334(2) 0.01756(12) Uani 1 1 d . . .
Pt2 Pt 0.60399(3) 0.211029(17) 0.37216(2) 0.01740(12) Uani 1 1 d . . .
Pt3 Pt 0.69066(3) 0.125291(17) 0.35027(2) 0.01746(12) Uani 1 1 d . . .
P1 P 0.72597(19) 0.25102(12) 0.40470(17) 0.0224(7) Uani 1 1 d . . .
P2 P 0.48758(18) 0.26151(12) 0.37410(17) 0.0190(6) Uani 1 1 d . . .
P3 P 0.76728(19) 0.14976(12) 0.45074(16) 0.0193(6) Uani 1 1 d . . .
P4 P 0.55346(18) 0.13331(12) 0.29131(16) 0.0180(6) Uani 1 1 d . . .
P5 P 0.77018(19) 0.06094(12) 0.30280(17) 0.0207(7) Uani 1 1 d . . .
F2 F 0.2938(4) 0.1216(3) 0.2305(4) 0.0309(17) Uani 1 1 d . . .
F3 F 0.2037(5) 0.0332(3) 0.2352(4) 0.042(2) Uani 1 1 d . . .
F4 F 0.2306(5) -0.0329(3) 0.3467(5) 0.044(2) Uani 1 1 d . . .
F5 F 0.3520(5) -0.0077(3) 0.4545(4) 0.0364(19) Uani 1 1 d . . .
F6 F 0.4422(4) 0.0816(3) 0.4512(4) 0.0275(16) Uani 1 1 d . . .
F8 F 0.3370(4) 0.1798(3) 0.4816(4) 0.0253(15) Uani 1 1 d . . .
F9 F 0.1812(4) 0.2149(3) 0.5058(4) 0.0296(17) Uani 1 1 d . . .
F10 F 0.0703(4) 0.2544(3) 0.3996(4) 0.0362(19) Uani 1 1 d . . .
F11 F 0.1209(5) 0.2624(3) 0.2689(4) 0.039(2) Uani 1 1 d . . .
F12 F 0.2816(4) 0.2344(3) 0.2459(4) 0.0314(17) Uani 1 1 d . . .
O O 0.7952(5) 0.2127(3) 0.4511(4) 0.0215(18) Uani 1 1 d . . .
C1 C 0.3726(7) 0.1060(5) 0.3414(6) 0.022(3) Uani 1 1 d . . .
C2 C 0.3093(7) 0.0911(5) 0.2882(7) 0.024(3) Uani 1 1 d . . .
C3 C 0.2628(7) 0.0451(5) 0.2893(6) 0.022(3) Uani 1 1 d U . .
C4 C 0.2759(8) 0.0122(5) 0.3449(7) 0.027(3) Uani 1 1 d . . .
C5 C 0.3367(8) 0.0245(5) 0.3996(7) 0.026(3) Uani 1 1 d . . .
C6 C 0.3824(7) 0.0719(5) 0.3959(7) 0.022(3) Uani 1 1 d . . .
C7 C 0.3167(7) 0.2066(5) 0.3633(6) 0.022(3) Uani 1 1 d . . .
C8 C 0.2864(7) 0.2011(4) 0.4276(7) 0.021(3) Uani 1 1 d . . .
C9 C 0.2058(7) 0.2176(5) 0.4417(6) 0.020(3) Uani 1 1 d . . .
C10 C 0.1497(7) 0.2387(5) 0.3878(7) 0.027(3) Uani 1 1 d . . .
C11 C 0.1772(7) 0.2425(5) 0.3221(6) 0.024(3) Uani 1 1 d . . .
C12 C 0.2585(8) 0.2273(5) 0.3113(6) 0.025(3) Uani 1 1 d . . .
C13 C 0.7249(8) 0.3067(5) 0.4632(8) 0.035(3) Uani 1 1 d U . .
C14 C 0.7056(13) 0.3558(6) 0.4333(11) 0.063(5) Uani 1 1 d . . .
H14 H 0.6965 0.3607 0.3842 0.075 Uiso 1 1 calc R . .
C15 C 0.701(2) 0.3977(8) 0.4807(18) 0.113(10) Uani 1 1 d . . .
H15 H 0.6919 0.4323 0.4624 0.136 Uiso 1 1 calc R . .
C16 C 0.707(2) 0.3914(9) 0.5493(16) 0.107(10) Uani 1 1 d . . .
H16 H 0.7028 0.4211 0.5787 0.129 Uiso 1 1 calc R . .
C17 C 0.7208(12) 0.3403(8) 0.5795(11) 0.071(6) Uani 1 1 d . . .
H17 H 0.7236 0.3343 0.6284 0.085 Uiso 1 1 calc R . .
C18 C 0.7296(10) 0.3006(6) 0.5328(8) 0.042(4) Uani 1 1 d . . .
H18 H 0.7398 0.2661 0.5509 0.051 Uiso 1 1 calc R . .
C19 C 0.7862(8) 0.2721(5) 0.3342(8) 0.032(3) Uani 1 1 d U . .
C20 C 0.8670(10) 0.2955(7) 0.3475(11) 0.062(5) Uani 1 1 d . . .
H20 H 0.8907 0.3014 0.3943 0.074 Uiso 1 1 calc R . .
C21 C 0.9129(11) 0.3105(7) 0.2935(10) 0.057(5) Uani 1 1 d U . .
H21 H 0.9674 0.3273 0.3032 0.069 Uiso 1 1 calc R . .
C22 C 0.8814(10) 0.3015(7) 0.2282(10) 0.052(4) Uani 1 1 d U . .
H22 H 0.9147 0.3107 0.1915 0.063 Uiso 1 1 calc R . .
C23 C 0.8012(11) 0.2789(7) 0.2122(10) 0.057(5) Uani 1 1 d . . .
H23 H 0.7789 0.2736 0.1649 0.068 Uiso 1 1 calc R . .
C24 C 0.7533(9) 0.2641(6) 0.2657(8) 0.040(4) Uani 1 1 d . . .
H24 H 0.6979 0.2486 0.2552 0.047 Uiso 1 1 calc R . .
C25 C 0.4599(8) 0.2824(5) 0.4577(7) 0.028(3) Uani 1 1 d . . .
C26 C 0.5049(9) 0.2673(6) 0.5179(7) 0.035(3) Uani 1 1 d . . .
H26 H 0.5552 0.2464 0.5157 0.042 Uiso 1 1 calc R . .
C27 C 0.4813(11) 0.2809(6) 0.5834(8) 0.045(4) Uani 1 1 d . . .
H27 H 0.5177 0.2728 0.6247 0.054 Uiso 1 1 calc R . .
C28 C 0.4036(12) 0.3063(7) 0.5865(9) 0.052(4) Uani 1 1 d . . .
H28 H 0.3848 0.3140 0.6307 0.063 Uiso 1 1 calc R . .
C29 C 0.3523(11) 0.3210(6) 0.5262(9) 0.045(4) Uani 1 1 d . . .
H29 H 0.2994 0.3390 0.5292 0.054 Uiso 1 1 calc R . .
C30 C 0.3791(9) 0.3091(6) 0.4618(8) 0.035(3) Uani 1 1 d . . .
H30 H 0.3442 0.3186 0.4203 0.042 Uiso 1 1 calc R . .
C31 C 0.4708(7) 0.3180(5) 0.3174(7) 0.022(3) Uani 1 1 d . . .
C32 C 0.4798(10) 0.3685(6) 0.3434(8) 0.041(4) Uani 1 1 d . . .
H32 H 0.4866 0.3734 0.3925 0.049 Uiso 1 1 calc R . .
C33 C 0.4794(10) 0.4127(6) 0.2997(10) 0.048(4) Uani 1 1 d . . .
H33 H 0.4853 0.4473 0.3185 0.058 Uiso 1 1 calc R . .
C34 C 0.4697(9) 0.4039(6) 0.2264(9) 0.045(4) Uani 1 1 d . . .
H34 H 0.4663 0.4328 0.1949 0.054 Uiso 1 1 calc R . .
C35 C 0.4654(10) 0.3543(6) 0.2022(8) 0.042(4) Uani 1 1 d . . .
H35 H 0.4629 0.3483 0.1534 0.050 Uiso 1 1 calc R . .
C36 C 0.4647(10) 0.3132(6) 0.2455(8) 0.044(4) Uani 1 1 d . . .
H36 H 0.4596 0.2790 0.2258 0.052 Uiso 1 1 calc R . .
C37 C 0.8711(7) 0.1225(5) 0.4858(6) 0.022(3) Uani 1 1 d . . .
C38 C 0.9491(7) 0.1467(5) 0.4775(7) 0.024(3) Uani 1 1 d . . .
H38 H 0.9502 0.1801 0.4555 0.028 Uiso 1 1 calc R . .
C39 C 1.0259(8) 0.1216(5) 0.5020(7) 0.033(3) Uani 1 1 d . . .
H39 H 1.0796 0.1380 0.4966 0.039 Uiso 1 1 calc R . .
C40 C 1.0246(8) 0.0730(5) 0.5339(7) 0.028(3) Uani 1 1 d . . .
H40 H 1.0773 0.0564 0.5509 0.033 Uiso 1 1 calc R . .
C41 C 0.9466(8) 0.0486(5) 0.5411(6) 0.024(3) Uani 1 1 d . . .
H41 H 0.9458 0.0149 0.5624 0.028 Uiso 1 1 calc R . .
C42 C 0.8691(7) 0.0735(5) 0.5168(6) 0.023(3) Uani 1 1 d . . .
H42 H 0.8154 0.0569 0.5217 0.028 Uiso 1 1 calc R . .
C43 C 0.7078(7) 0.1458(5) 0.5270(7) 0.022(3) Uani 1 1 d . . .
C44 C 0.7457(8) 0.1612(5) 0.5922(7) 0.030(3) Uani 1 1 d . . .
H44 H 0.8049 0.1710 0.5979 0.036 Uiso 1 1 calc R . .
C45 C 0.6986(9) 0.1624(5) 0.6488(7) 0.032(3) Uani 1 1 d . . .
H45 H 0.7255 0.1723 0.6935 0.039 Uiso 1 1 calc R . .
C46 C 0.6114(9) 0.1490(5) 0.6401(7) 0.033(3) Uani 1 1 d . . .
H46 H 0.5781 0.1510 0.6785 0.039 Uiso 1 1 calc R . .
C47 C 0.5735(9) 0.1330(6) 0.5764(8) 0.038(3) Uani 1 1 d . . .
H47 H 0.5147 0.1223 0.5715 0.046 Uiso 1 1 calc R . .
C48 C 0.6196(8) 0.1320(5) 0.5188(7) 0.025(3) Uani 1 1 d . . .
H48 H 0.5921 0.1221 0.4744 0.030 Uiso 1 1 calc R . .
C49 C 0.5157(7) 0.0655(5) 0.2695(6) 0.020(3) Uani 1 1 d . . .
C50 C 0.4721(7) 0.0511(5) 0.2057(7) 0.028(3) Uani 1 1 d . . .
H50 H 0.4561 0.0770 0.1711 0.033 Uiso 1 1 calc R . .
C51 C 0.4524(10) -0.0007(6) 0.1932(9) 0.044(4) Uani 1 1 d . . .
H51 H 0.4240 -0.0105 0.1490 0.052 Uiso 1 1 calc R . .
C52 C 0.4720(9) -0.0383(6) 0.2414(9) 0.042(4) Uani 1 1 d . . .
H52 H 0.4580 -0.0741 0.2310 0.050 Uiso 1 1 calc R . .
C53 C 0.5117(9) -0.0249(5) 0.3047(8) 0.038(4) Uani 1 1 d . . .
H53 H 0.5236 -0.0514 0.3392 0.045 Uiso 1 1 calc R . .
C54 C 0.5350(8) 0.0261(5) 0.3203(7) 0.030(3) Uani 1 1 d . . .
H54 H 0.5638 0.0348 0.3647 0.036 Uiso 1 1 calc R . .
C55 C 0.5478(7) 0.1644(5) 0.2061(7) 0.024(3) Uani 1 1 d . . .
C56 C 0.4684(8) 0.1844(5) 0.1731(7) 0.030(3) Uani 1 1 d U . .
H56 H 0.4165 0.1799 0.1942 0.036 Uiso 1 1 calc R . .
C57 C 0.4675(8) 0.2106(6) 0.1099(7) 0.034(3) Uani 1 1 d . . .
H57 H 0.4144 0.2241 0.0882 0.041 Uiso 1 1 calc R . .
C58 C 0.5411(9) 0.2174(7) 0.0779(8) 0.045(4) Uani 1 1 d . . .
H58 H 0.5401 0.2366 0.0355 0.054 Uiso 1 1 calc R . .
C59 C 0.6176(10) 0.1953(7) 0.1093(8) 0.047(4) Uani 1 1 d U . .
H59 H 0.6687 0.1978 0.0866 0.056 Uiso 1 1 calc R . .
C60 C 0.6206(8) 0.1702(6) 0.1721(7) 0.035(3) Uani 1 1 d . . .
H60 H 0.6740 0.1565 0.1928 0.042 Uiso 1 1 calc R . .
C61 C 0.8833(7) 0.0830(5) 0.3085(6) 0.022(3) Uani 1 1 d U . .
C62 C 0.9531(8) 0.0487(5) 0.3228(7) 0.030(3) Uani 1 1 d . . .
H62 H 0.9432 0.0127 0.3325 0.036 Uiso 1 1 calc R . .
C63 C 1.0361(8) 0.0672(6) 0.3230(8) 0.037(3) Uani 1 1 d . . .
H63 H 1.0832 0.0438 0.3339 0.045 Uiso 1 1 calc R . .
C64 C 1.0526(8) 0.1194(6) 0.3077(7) 0.034(3) Uani 1 1 d . . .
H64 H 1.1102 0.1316 0.3072 0.040 Uiso 1 1 calc R . .
C65 C 0.9829(8) 0.1534(5) 0.2929(7) 0.029(3) Uani 1 1 d . . .
H65 H 0.9927 0.1891 0.2816 0.035 Uiso 1 1 calc R . .
C66 C 0.8995(8) 0.1353(5) 0.2946(7) 0.027(3) Uani 1 1 d . . .
H66 H 0.8525 0.1591 0.2862 0.032 Uiso 1 1 calc R . .
C67 C 0.7705(7) -0.0044(5) 0.3395(7) 0.026(3) Uani 1 1 d . . .
C68 C 0.7352(7) -0.0135(5) 0.4018(6) 0.023(3) Uani 1 1 d . . .
H68 H 0.7150 0.0152 0.4271 0.028 Uiso 1 1 calc R . .
C69 C 0.7294(8) -0.0649(5) 0.4273(7) 0.032(3) Uani 1 1 d . . .
H69 H 0.7034 -0.0707 0.4691 0.038 Uiso 1 1 calc R . .
C70 C 0.7608(8) -0.1073(5) 0.3927(8) 0.033(3) Uani 1 1 d . . .
H70 H 0.7564 -0.1420 0.4105 0.039 Uiso 1 1 calc R . .
C71 C 0.7987(8) -0.0987(6) 0.3318(7) 0.033(3) Uani 1 1 d . . .
H71 H 0.8214 -0.1275 0.3081 0.040 Uiso 1 1 calc R . .
C72 C 0.8035(8) -0.0483(5) 0.3056(7) 0.027(3) Uani 1 1 d . . .
H72 H 0.8296 -0.0429 0.2638 0.033 Uiso 1 1 calc R . .
C73 C 0.7471(8) 0.0467(5) 0.2090(7) 0.029(3) Uani 1 1 d . . .
C74 C 0.7917(11) 0.0676(7) 0.1587(9) 0.053(4) Uani 1 1 d . . .
H74 H 0.8387 0.0907 0.1717 0.063 Uiso 1 1 calc R . .
C75 C 0.7702(14) 0.0560(8) 0.0902(9) 0.067(6) Uani 1 1 d . . .
H75 H 0.8025 0.0714 0.0562 0.080 Uiso 1 1 calc R . .
C76 C 0.7026(13) 0.0225(8) 0.0688(10) 0.070(6) Uani 1 1 d . . .
H76 H 0.6878 0.0144 0.0209 0.084 Uiso 1 1 calc R . .
C77 C 0.6587(12) 0.0018(8) 0.1189(10) 0.067(6) Uani 1 1 d . . .
H77 H 0.6119 -0.0214 0.1058 0.080 Uiso 1 1 calc R . .
C78 C 0.6790(9) 0.0131(6) 0.1875(8) 0.041(4) Uani 1 1 d . . .
H78 H 0.6463 -0.0021 0.2212 0.049 Uiso 1 1 calc R . .
C79 C 0.2457(13) 0.9227(9) 0.1784(10) 0.076(6) Uani 1 1 d . . .
H79A H 0.2833 0.9473 0.2077 0.114 Uiso 1 1 calc R . .
H79B H 0.1979 0.9119 0.2054 0.114 Uiso 1 1 calc R . .
Cl1 Cl 0.2024(4) 0.9556(2) 0.1012(3) 0.0752(15) Uani 1 1 d . . .
Cl2 Cl 0.3042(4) 0.8684(2) 0.1606(4) 0.092(2) Uani 1 1 d . . .
C80 C 0.4893(9) 0.9140(14) -0.0273(10) 0.057(9) Uani 0.50 1 d PDU . .
H80A H 0.4631 0.8932 -0.0676 0.086 Uiso 0.50 1 calc PR . .
H80B H 0.4749 0.9514 -0.0367 0.086 Uiso 0.50 1 calc PR . .
Cl3 Cl 0.5979(6) 0.9069(4) -0.0215(4) 0.058(2) Uani 0.50 1 d PD . .
Cl4 Cl 0.4441(7) 0.8947(4) 0.0455(5) 0.071(3) Uani 0.50 1 d PD . .
C81 C 0.5014(17) 0.4302(12) 0.5398(15) 0.038(7) Uani 0.50 1 d P . .
H81A H 0.4457 0.4124 0.5257 0.056 Uiso 0.50 1 calc PR . .
H81B H 0.5481 0.4092 0.5224 0.056 Uiso 0.50 1 calc PR . .
Cl5 Cl 0.5180(9) 0.4344(6) 0.6301(8) 0.109(4) Uani 0.50 1 d P . .
Cl6 Cl 0.5000 0.5000 0.5000 0.122(9) Uani 0.50 2 d SP . .


_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 2.067(12) . ?
Pt1 C1 2.072(12) . ?
Pt1 P2 2.329(3) . ?
Pt1 P4 2.455(3) . ?
Pt1 Pt2 2.7509(6) . ?
Pt2 P1 2.186(3) . ?
Pt2 P2 2.224(3) . ?
Pt2 P4 2.586(3) . ?
Pt2 Pt3 2.6204(6) . ?
Pt3 P3 2.251(3) . ?
Pt3 P5 2.299(3) . ?
Pt3 P4 2.319(3) . ?
P1 O 1.644(8) . ?
P1 C19 1.811(14) . ?
P1 C13 1.812(14) . ?
P2 C25 1.791(13) . ?
P2 C31 1.807(13) . ?
P3 O 1.656(8) . ?
P3 C37 1.822(12) . ?
P3 C43 1.823(12) . ?
P4 C55 1.815(13) . ?
P4 C49 1.855(12) . ?
P5 C67 1.805(13) . ?
P5 C61 1.840(12) . ?
P5 C73 1.842(13) . ?
F2 C2 1.355(14) . ?
F3 C3 1.349(14) . ?
F4 C4 1.348(14) . ?
F5 C5 1.339(14) . ?
F6 C6 1.361(14) . ?
F8 C8 1.349(14) . ?
F9 C9 1.335(13) . ?
F10 C10 1.341(13) . ?
F11 C11 1.374(14) . ?
F12 C12 1.359(14) . ?
C1 C6 1.357(17) . ?
C1 C2 1.396(18) . ?
C2 C3 1.378(17) . ?
C3 C4 1.358(18) . ?
C4 C5 1.376(19) . ?
C5 C6 1.405(17) . ?
C7 C8 1.380(17) . ?
C7 C12 1.382(17) . ?
C8 C9 1.378(16) . ?
C9 C10 1.391(18) . ?
C10 C11 1.381(17) . ?
C11 C12 1.360(16) . ?
C13 C18 1.34(2) . ?
C13 C14 1.39(2) . ?
C14 C15 1.41(3) . ?
C15 C16 1.33(4) . ?
C16 C17 1.43(3) . ?
C17 C18 1.37(2) . ?
C19 C24 1.38(2) . ?
C19 C20 1.39(2) . ?
C20 C21 1.38(2) . ?
C21 C22 1.32(2) . ?
C22 C23 1.38(2) . ?
C23 C24 1.39(2) . ?
C25 C26 1.346(19) . ?
C25 C30 1.440(18) . ?
C26 C27 1.40(2) . ?
C27 C28 1.38(2) . ?
C28 C29 1.39(2) . ?
C29 C30 1.38(2) . ?
C31 C32 1.378(19) . ?
C31 C36 1.38(2) . ?
C32 C33 1.40(2) . ?
C33 C34 1.42(2) . ?
C34 C35 1.34(2) . ?
C35 C36 1.34(2) . ?
C37 C42 1.382(17) . ?
C37 C38 1.385(16) . ?
C38 C39 1.391(17) . ?
C39 C40 1.379(19) . ?
C40 C41 1.384(17) . ?
C41 C42 1.399(17) . ?
C43 C44 1.386(18) . ?
C43 C48 1.410(16) . ?
C44 C45 1.378(18) . ?
C45 C46 1.393(19) . ?
C46 C47 1.37(2) . ?
C47 C48 1.383(18) . ?
C49 C50 1.389(18) . ?
C49 C54 1.410(18) . ?
C50 C51 1.368(19) . ?
C51 C52 1.34(2) . ?
C52 C53 1.35(2) . ?
C53 C54 1.370(19) . ?
C55 C60 1.376(17) . ?
C55 C56 1.422(17) . ?
C56 C57 1.388(18) . ?
C57 C58 1.369(19) . ?
C58 C59 1.40(2) . ?
C59 C60 1.36(2) . ?
C61 C66 1.385(17) . ?
C61 C62 1.396(16) . ?
C62 C63 1.375(18) . ?
C63 C64 1.388(19) . ?
C64 C65 1.393(18) . ?
C65 C66 1.381(17) . ?
C67 C68 1.392(17) . ?
C67 C72 1.416(17) . ?
C68 C69 1.400(18) . ?
C69 C70 1.385(19) . ?
C70 C71 1.385(19) . ?
C71 C72 1.383(18) . ?
C73 C74 1.36(2) . ?
C73 C78 1.389(19) . ?
C74 C75 1.36(2) . ?
C75 C76 1.38(3) . ?
C76 C77 1.35(3) . ?
C77 C78 1.36(2) . ?
C79 Cl2 1.71(2) . ?
C79 Cl1 1.78(2) . ?
C80 Cl3 1.693(10) . ?
C80 Cl4 1.707(10) . ?
C81 Cl5 1.73(3) . ?
C81 Cl6 1.93(3) . ?
Cl6 C81 1.93(3) 3_666 ?

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 C1 83.2(4) . . ?
C7 Pt1 P2 85.6(3) . . ?
C1 Pt1 P2 163.7(3) . . ?
C7 Pt1 P4 164.1(4) . . ?
C1 Pt1 P4 87.8(3) . . ?
P2 Pt1 P4 105.75(10) . . ?
C7 Pt1 Pt2 135.0(3) . . ?
C1 Pt1 Pt2 135.6(3) . . ?
P2 Pt1 Pt2 51.11(7) . . ?
P4 Pt1 Pt2 59.23(7) . . ?
P1 Pt2 P2 114.31(12) . . ?
P1 Pt2 P4 136.65(11) . . ?
P2 Pt2 P4 104.74(11) . . ?
P1 Pt2 Pt3 89.21(8) . . ?
P2 Pt2 Pt3 156.46(8) . . ?
P4 Pt2 Pt3 52.90(6) . . ?
P1 Pt2 Pt1 168.44(9) . . ?
P2 Pt2 Pt1 54.60(8) . . ?
P4 Pt2 Pt1 54.68(6) . . ?
Pt3 Pt2 Pt1 101.98(2) . . ?
P3 Pt3 P5 106.28(11) . . ?
P3 Pt3 P4 140.65(11) . . ?
P5 Pt3 P4 111.99(11) . . ?
P3 Pt3 Pt2 82.34(8) . . ?
P5 Pt3 Pt2 164.54(8) . . ?
P4 Pt3 Pt2 62.78(8) . . ?
O P1 C19 102.7(5) . . ?
O P1 C13 100.0(5) . . ?
C19 P1 C13 106.0(7) . . ?
O P1 Pt2 112.3(3) . . ?
C19 P1 Pt2 115.2(5) . . ?
C13 P1 Pt2 118.5(5) . . ?
C25 P2 C31 106.0(6) . . ?
C25 P2 Pt2 117.4(5) . . ?
C31 P2 Pt2 120.9(4) . . ?
C25 P2 Pt1 112.9(4) . . ?
C31 P2 Pt1 123.2(4) . . ?
Pt2 P2 Pt1 74.30(9) . . ?
O P3 C37 98.3(5) . . ?
O P3 C43 101.9(5) . . ?
C37 P3 C43 100.8(5) . . ?
O P3 Pt3 112.6(3) . . ?
C37 P3 Pt3 125.6(4) . . ?
C43 P3 Pt3 114.2(4) . . ?
C55 P4 C49 102.4(6) . . ?
C55 P4 Pt3 115.8(4) . . ?
C49 P4 Pt3 106.4(4) . . ?
C55 P4 Pt1 101.7(4) . . ?
C49 P4 Pt1 106.8(3) . . ?
Pt3 P4 Pt1 121.90(13) . . ?
C55 P4 Pt2 101.3(4) . . ?
C49 P4 Pt2 156.2(4) . . ?
Pt3 P4 Pt2 64.31(8) . . ?
Pt1 P4 Pt2 66.08(8) . . ?
C67 P5 C61 107.1(5) . . ?
C67 P5 C73 101.3(6) . . ?
C61 P5 C73 101.7(6) . . ?
C67 P5 Pt3 118.5(4) . . ?
C61 P5 Pt3 108.2(4) . . ?
C73 P5 Pt3 118.3(4) . . ?
P1 O P3 114.4(5) . . ?
C6 C1 C2 114.1(11) . . ?
C6 C1 Pt1 122.2(10) . . ?
C2 C1 Pt1 123.2(9) . . ?
F2 C2 C3 116.7(11) . . ?
F2 C2 C1 119.9(11) . . ?
C3 C2 C1 123.3(11) . . ?
F3 C3 C4 120.3(11) . . ?
F3 C3 C2 119.6(11) . . ?
C4 C3 C2 120.1(11) . . ?
F4 C4 C3 120.6(12) . . ?
F4 C4 C5 119.6(12) . . ?
C3 C4 C5 119.8(11) . . ?
F5 C5 C4 121.1(11) . . ?
F5 C5 C6 121.1(12) . . ?
C4 C5 C6 117.9(11) . . ?
C1 C6 F6 120.1(11) . . ?
C1 C6 C5 124.8(12) . . ?
F6 C6 C5 115.0(11) . . ?
C8 C7 C12 115.5(11) . . ?
C8 C7 Pt1 122.0(9) . . ?
C12 C7 Pt1 122.1(9) . . ?
F8 C8 C9 116.1(10) . . ?
F8 C8 C7 120.4(10) . . ?
C9 C8 C7 123.4(11) . . ?
F9 C9 C8 121.6(11) . . ?
F9 C9 C10 119.5(10) . . ?
C8 C9 C10 118.9(11) . . ?
F10 C10 C11 121.0(11) . . ?
F10 C10 C9 120.3(11) . . ?
C11 C10 C9 118.7(10) . . ?
C12 C11 F11 121.3(11) . . ?
C12 C11 C10 120.4(11) . . ?
F11 C11 C10 118.4(10) . . ?
F12 C12 C11 116.6(11) . . ?
F12 C12 C7 120.3(10) . . ?
C11 C12 C7 123.0(11) . . ?
C18 C13 C14 120.2(15) . . ?
C18 C13 P1 121.8(11) . . ?
C14 C13 P1 117.2(13) . . ?
C13 C14 C15 116(2) . . ?
C16 C15 C14 123(2) . . ?
C15 C16 C17 121(2) . . ?
C18 C17 C16 115(2) . . ?
C13 C18 C17 124.9(17) . . ?
C24 C19 C20 118.4(14) . . ?
C24 C19 P1 120.3(10) . . ?
C20 C19 P1 121.3(13) . . ?
C21 C20 C19 120.8(19) . . ?
C22 C21 C20 120.1(17) . . ?
C21 C22 C23 121.3(16) . . ?
C22 C23 C24 119.5(18) . . ?
C19 C24 C23 119.8(15) . . ?
C26 C25 C30 117.7(12) . . ?
C26 C25 P2 122.6(10) . . ?
C30 C25 P2 119.0(11) . . ?
C25 C26 C27 123.1(13) . . ?
C28 C27 C26 118.2(15) . . ?
C27 C28 C29 121.3(15) . . ?
C30 C29 C28 119.3(15) . . ?
C29 C30 C25 120.1(14) . . ?
C32 C31 C36 116.0(12) . . ?
C32 C31 P2 121.1(10) . . ?
C36 C31 P2 121.8(10) . . ?
C31 C32 C33 122.3(14) . . ?
C32 C33 C34 117.4(15) . . ?
C35 C34 C33 119.3(14) . . ?
C36 C35 C34 121.3(15) . . ?
C35 C36 C31 123.5(15) . . ?
C42 C37 C38 120.7(11) . . ?
C42 C37 P3 116.3(9) . . ?
C38 C37 P3 122.9(9) . . ?
C37 C38 C39 119.3(12) . . ?
C40 C39 C38 120.6(12) . . ?
C39 C40 C41 120.0(11) . . ?
C40 C41 C42 119.9(11) . . ?
C37 C42 C41 119.5(11) . . ?
C44 C43 C48 119.2(11) . . ?
C44 C43 P3 120.8(9) . . ?
C48 C43 P3 119.7(10) . . ?
C45 C44 C43 120.8(12) . . ?
C44 C45 C46 119.5(12) . . ?
C47 C46 C45 120.2(12) . . ?
C46 C47 C48 121.0(13) . . ?
C47 C48 C43 119.2(12) . . ?
C50 C49 C54 118.4(12) . . ?
C50 C49 P4 124.0(10) . . ?
C54 C49 P4 117.6(10) . . ?
C51 C50 C49 119.2(14) . . ?
C52 C51 C50 122.2(15) . . ?
C51 C52 C53 119.5(14) . . ?
C52 C53 C54 121.4(14) . . ?
C53 C54 C49 119.2(14) . . ?
C60 C55 C56 117.9(12) . . ?
C60 C55 P4 121.0(9) . . ?
C56 C55 P4 121.1(9) . . ?
C57 C56 C55 119.4(12) . . ?
C58 C57 C56 121.7(13) . . ?
C57 C58 C59 118.0(13) . . ?
C60 C59 C58 121.3(13) . . ?
C59 C60 C55 121.4(12) . . ?
C66 C61 C62 118.9(11) . . ?
C66 C61 P5 118.3(9) . . ?
C62 C61 P5 122.8(10) . . ?
C63 C62 C61 119.9(12) . . ?
C62 C63 C64 121.4(12) . . ?
C63 C64 C65 118.6(12) . . ?
C66 C65 C64 120.2(12) . . ?
C65 C66 C61 121.0(11) . . ?
C68 C67 C72 117.6(11) . . ?
C68 C67 P5 120.4(9) . . ?
C72 C67 P5 122.0(10) . . ?
C67 C68 C69 120.3(12) . . ?
C70 C69 C68 121.1(13) . . ?
C69 C70 C71 119.3(12) . . ?
C72 C71 C70 120.0(13) . . ?
C71 C72 C67 121.6(12) . . ?
C74 C73 C78 117.3(14) . . ?
C74 C73 P5 124.2(12) . . ?
C78 C73 P5 118.5(11) . . ?
C75 C74 C73 121.1(17) . . ?
C74 C75 C76 121.6(17) . . ?
C77 C76 C75 117.1(16) . . ?
C76 C77 C78 122.1(16) . . ?
C77 C78 C73 120.8(15) . . ?
Cl2 C79 Cl1 112.0(11) . . ?
Cl3 C80 Cl4 114.3(11) . . ?
Cl5 C81 Cl6 109.6(16) . . ?
C81 Cl6 C81 179.998(4) 3_666 . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         4.220
_refine_diff_density_min         -2.152
_refine_diff_density_rms         0.242
