# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_3

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         
'C72 H132 Ag P4 Pt2, C24 H12 B Cl8,0.5( C6 H12), C4 H8 O'

_chemical_formula_sum            'C103 H158 Ag B Cl8 O P4 Pt2'
_chemical_formula_weight         2328.63

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   23.5269(9)
_cell_length_b                   16.7472(7)
_cell_length_c                   27.9343(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 111.5480(10)
_cell_angle_gamma                90.00
_cell_volume                     10237.1(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4752
_exptl_absorpt_coefficient_mu    3.233
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6353
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            96564
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.50
_diffrn_reflns_theta_max         26.37
_reflns_number_total             20925
_reflns_number_gt                18207
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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 202 reported least-squares restraints as shown by 
 _refine_ls_number_restraints key are attributed to DELU keyword in ShelXL 
 input ('rigid bond' restraint for all bonds in the connectivity list. 
 Standard values of 0.01 for both parameters s1 and s2 were used).
 The displacement parameters of atoms O300, C301 - C314 and C401 - C403
 were restrained to the same value with similarity restraint SIMU. 
 The distances between atoms C401, C402 and C403 were restrained to the 
 value of 1.40. 
 The Uii displacement parameters of atoms O300, C301 - C314 and C401 - C403 were restrained with 
 ISOR keyword to approximate isotropic behavior. 
;

_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)+(0.0211P)²+9.2616P] 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         20925
_refine_ls_number_parameters     1127
_refine_ls_number_restraints     202
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0237
_refine_ls_wR_factor_ref         0.0526
_refine_ls_wR_factor_gt          0.0502
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.011
_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 0.218834(5) 0.404608(6) 0.583639(4) 0.01145(3) Uani 1 1 d . . .
Pt2 Pt 0.289843(4) 0.121881(6) 0.653046(4) 0.01072(3) Uani 1 1 d . . .
Ag1 Ag 0.253973(9) 0.258291(12) 0.607941(8) 0.01530(5) Uani 1 1 d . . .
P1 P 0.27068(3) 0.46091(4) 0.66184(3) 0.01281(14) Uani 1 1 d . . .
P2 P 0.16136(3) 0.37589(4) 0.50092(3) 0.01142(14) Uani 1 1 d . . .
P3 P 0.36170(3) 0.11583(4) 0.61763(3) 0.01173(14) Uani 1 1 d . . .
P4 P 0.21807(3) 0.09153(4) 0.68798(3) 0.01322(15) Uani 1 1 d . . .
C11 C 0.28958(12) 0.40076(17) 0.72141(10) 0.0157(6) Uani 1 1 d . . .
H11 H 0.2528 0.3670 0.7164 0.019 Uiso 1 1 calc R . .
C12 C 0.34176(13) 0.34246(18) 0.72792(11) 0.0200(6) Uani 1 1 d . . .
H12A H 0.3336 0.3131 0.6953 0.024 Uiso 1 1 calc R . .
H12B H 0.3803 0.3726 0.7358 0.024 Uiso 1 1 calc R . .
C13 C 0.34881(15) 0.2832(2) 0.77098(12) 0.0304(8) Uani 1 1 d . . .
H13A H 0.3117 0.2495 0.7614 0.036 Uiso 1 1 calc R . .
H13B H 0.3841 0.2479 0.7753 0.036 Uiso 1 1 calc R . .
C14 C 0.35850(14) 0.3249(2) 0.82171(12) 0.0336(9) Uani 1 1 d . . .
H14A H 0.3583 0.2847 0.8477 0.040 Uiso 1 1 calc R . .
H14B H 0.3989 0.3514 0.8342 0.040 Uiso 1 1 calc R . .
C15 C 0.30905(16) 0.3866(2) 0.81594(13) 0.0389(9) Uani 1 1 d . . .
H15A H 0.3191 0.4162 0.8487 0.047 Uiso 1 1 calc R . .
H15B H 0.2696 0.3589 0.8089 0.047 Uiso 1 1 calc R . .
C16 C 0.30244(14) 0.4457(2) 0.77238(10) 0.0252(7) Uani 1 1 d . . .
H16A H 0.3405 0.4772 0.7809 0.030 Uiso 1 1 calc R . .
H16B H 0.2685 0.4831 0.7686 0.030 Uiso 1 1 calc R . .
C21 C 0.34386(12) 0.50608(17) 0.66393(10) 0.0150(6) Uani 1 1 d . . .
H21 H 0.3759 0.4642 0.6784 0.018 Uiso 1 1 calc R . .
C22 C 0.36483(13) 0.57859(19) 0.69921(11) 0.0225(7) Uani 1 1 d . . .
H22A H 0.3325 0.6200 0.6882 0.027 Uiso 1 1 calc R . .
H22B H 0.3705 0.5627 0.7348 0.027 Uiso 1 1 calc R . .
C23 C 0.42438(14) 0.61410(19) 0.69885(12) 0.0253(7) Uani 1 1 d . . .
H23A H 0.4339 0.6634 0.7198 0.030 Uiso 1 1 calc R . .
H23B H 0.4581 0.5757 0.7147 0.030 Uiso 1 1 calc R . .
C24 C 0.42060(14) 0.63351(19) 0.64464(12) 0.0255(7) Uani 1 1 d . . .
H24A H 0.4607 0.6534 0.6457 0.031 Uiso 1 1 calc R . .
H24B H 0.3899 0.6761 0.6299 0.031 Uiso 1 1 calc R . .
C25 C 0.40270(14) 0.55937(19) 0.61075(11) 0.0244(7) Uani 1 1 d . . .
H25A H 0.4352 0.5186 0.6240 0.029 Uiso 1 1 calc R . .
H25B H 0.3990 0.5734 0.5753 0.029 Uiso 1 1 calc R . .
C26 C 0.34229(13) 0.52457(19) 0.60960(10) 0.0208(7) Uani 1 1 d . . .
H26A H 0.3334 0.4749 0.5889 0.025 Uiso 1 1 calc R . .
H26B H 0.3090 0.5630 0.5927 0.025 Uiso 1 1 calc R . .
C31 C 0.22097(12) 0.54187(17) 0.66883(11) 0.0173(6) Uani 1 1 d . . .
H31 H 0.2440 0.5739 0.7002 0.021 Uiso 1 1 calc R . .
C32 C 0.20154(14) 0.59661(18) 0.62175(12) 0.0240(7) Uani 1 1 d . . .
H32A H 0.1835 0.5639 0.5903 0.029 Uiso 1 1 calc R . .
H32B H 0.2381 0.6237 0.6200 0.029 Uiso 1 1 calc R . .
C33 C 0.15497(14) 0.65972(19) 0.62310(14) 0.0334(8) Uani 1 1 d . . .
H33A H 0.1745 0.6970 0.6520 0.040 Uiso 1 1 calc R . .
H33B H 0.1415 0.6909 0.5907 0.040 Uiso 1 1 calc R . .
C34 C 0.10002(14) 0.6215(2) 0.62954(14) 0.0354(9) Uani 1 1 d . . .
H34A H 0.0780 0.5884 0.5989 0.042 Uiso 1 1 calc R . .
H34B H 0.0718 0.6636 0.6321 0.042 Uiso 1 1 calc R . .
C35 C 0.11922(14) 0.5694(2) 0.67768(13) 0.0321(8) Uani 1 1 d . . .
H35A H 0.0827 0.5439 0.6806 0.038 Uiso 1 1 calc R . .
H35B H 0.1386 0.6031 0.7085 0.038 Uiso 1 1 calc R . .
C36 C 0.16412(12) 0.50519(18) 0.67539(12) 0.0216(7) Uani 1 1 d . . .
H36A H 0.1435 0.4689 0.6462 0.026 Uiso 1 1 calc R . .
H36B H 0.1771 0.4733 0.7074 0.026 Uiso 1 1 calc R . .
C41 C 0.10674(12) 0.29236(16) 0.48568(10) 0.0133(6) Uani 1 1 d . . .
H41 H 0.0794 0.2976 0.4487 0.016 Uiso 1 1 calc R . .
C42 C 0.06662(13) 0.29793(18) 0.51801(12) 0.0208(6) Uani 1 1 d . . .
H42A H 0.0925 0.2928 0.5549 0.025 Uiso 1 1 calc R . .
H42B H 0.0464 0.3508 0.5128 0.025 Uiso 1 1 calc R . .
C43 C 0.01831(14) 0.23249(19) 0.50307(13) 0.0284(7) Uani 1 1 d . . .
H43A H -0.0057 0.2357 0.5256 0.034 Uiso 1 1 calc R . .
H43B H -0.0100 0.2413 0.4672 0.034 Uiso 1 1 calc R . .
C44 C 0.04620(13) 0.14951(18) 0.50748(12) 0.0225(7) Uani 1 1 d . . .
H44A H 0.0132 0.1094 0.4945 0.027 Uiso 1 1 calc R . .
H44B H 0.0700 0.1375 0.5441 0.027 Uiso 1 1 calc R . .
C45 C 0.08780(13) 0.14405(17) 0.47680(11) 0.0182(6) Uani 1 1 d . . .
H45A H 0.0630 0.1490 0.4396 0.022 Uiso 1 1 calc R . .
H45B H 0.1081 0.0912 0.4826 0.022 Uiso 1 1 calc R . .
C46 C 0.13623(12) 0.20975(17) 0.49266(11) 0.0172(6) Uani 1 1 d . . .
H46A H 0.1619 0.2058 0.4715 0.021 Uiso 1 1 calc R . .
H46B H 0.1630 0.2023 0.5292 0.021 Uiso 1 1 calc R . .
C51 C 0.11241(12) 0.46630(16) 0.47981(10) 0.0141(6) Uani 1 1 d . . .
H51 H 0.0976 0.4780 0.5084 0.017 Uiso 1 1 calc R . .
C52 C 0.15001(13) 0.53957(18) 0.47682(12) 0.0224(7) Uani 1 1 d . . .
H52A H 0.1873 0.5427 0.5084 0.027 Uiso 1 1 calc R . .
H52B H 0.1628 0.5343 0.4469 0.027 Uiso 1 1 calc R . .
C53 C 0.11235(13) 0.61603(18) 0.47136(13) 0.0255(7) Uani 1 1 d . . .
H53A H 0.1023 0.6234 0.5025 0.031 Uiso 1 1 calc R . .
H53B H 0.1368 0.6625 0.4684 0.031 Uiso 1 1 calc R . .
C54 C 0.05368(13) 0.61227(18) 0.42434(12) 0.0238(7) Uani 1 1 d . . .
H54A H 0.0636 0.6117 0.3928 0.029 Uiso 1 1 calc R . .
H54B H 0.0288 0.6604 0.4232 0.029 Uiso 1 1 calc R . .
C55 C 0.01687(13) 0.53781(18) 0.42547(12) 0.0267(7) Uani 1 1 d . . .
H55A H -0.0195 0.5348 0.3932 0.032 Uiso 1 1 calc R . .
H55B H 0.0025 0.5417 0.4546 0.032 Uiso 1 1 calc R . .
C56 C 0.05488(13) 0.46184(19) 0.43127(11) 0.0244(7) Uani 1 1 d . . .
H56A H 0.0303 0.4149 0.4332 0.029 Uiso 1 1 calc R . .
H56B H 0.0664 0.4553 0.4008 0.029 Uiso 1 1 calc R . .
C61 C 0.20426(12) 0.36714(17) 0.45758(10) 0.0143(6) Uani 1 1 d . . .
H61 H 0.2168 0.4227 0.4528 0.017 Uiso 1 1 calc R . .
C62 C 0.16795(13) 0.33574(19) 0.40323(10) 0.0188(6) Uani 1 1 d . . .
H62A H 0.1531 0.2811 0.4055 0.023 Uiso 1 1 calc R . .
H62B H 0.1319 0.3703 0.3866 0.023 Uiso 1 1 calc R . .
C63 C 0.20781(13) 0.3346(2) 0.37070(11) 0.0247(7) Uani 1 1 d . . .
H63A H 0.1842 0.3117 0.3365 0.030 Uiso 1 1 calc R . .
H63B H 0.2191 0.3900 0.3656 0.030 Uiso 1 1 calc R . .
C64 C 0.26542(14) 0.28593(19) 0.39598(11) 0.0233(7) Uani 1 1 d . . .
H64A H 0.2906 0.2877 0.3743 0.028 Uiso 1 1 calc R . .
H64B H 0.2543 0.2295 0.3987 0.028 Uiso 1 1 calc R . .
C65 C 0.30257(13) 0.31818(19) 0.44965(11) 0.0210(7) Uani 1 1 d . . .
H65A H 0.3388 0.2838 0.4660 0.025 Uiso 1 1 calc R . .
H65B H 0.3172 0.3727 0.4466 0.025 Uiso 1 1 calc R . .
C66 C 0.26416(12) 0.32045(18) 0.48347(10) 0.0182(6) Uani 1 1 d . . .
H66A H 0.2881 0.3458 0.5168 0.022 Uiso 1 1 calc R . .
H66B H 0.2545 0.2652 0.4905 0.022 Uiso 1 1 calc R . .
C71 C 0.33133(12) 0.10156(17) 0.54691(10) 0.0144(6) Uani 1 1 d . . .
H71 H 0.3187 0.1560 0.5321 0.017 Uiso 1 1 calc R . .
C72 C 0.27281(12) 0.05097(19) 0.52740(10) 0.0188(6) Uani 1 1 d . . .
H72A H 0.2823 -0.0041 0.5409 0.023 Uiso 1 1 calc R . .
H72B H 0.2425 0.0737 0.5405 0.023 Uiso 1 1 calc R . .
C73 C 0.24530(13) 0.04840(19) 0.46860(10) 0.0211(7) Uani 1 1 d . . .
H73A H 0.2092 0.0128 0.4574 0.025 Uiso 1 1 calc R . .
H73B H 0.2316 0.1026 0.4551 0.025 Uiso 1 1 calc R . .
C74 C 0.29164(13) 0.0184(2) 0.44660(11) 0.0241(7) Uani 1 1 d . . .
H74A H 0.2733 0.0196 0.4085 0.029 Uiso 1 1 calc R . .
H74B H 0.3025 -0.0377 0.4574 0.029 Uiso 1 1 calc R . .
C75 C 0.34918(14) 0.0695(2) 0.46497(11) 0.0248(7) Uani 1 1 d . . .
H75A H 0.3390 0.1244 0.4513 0.030 Uiso 1 1 calc R . .
H75B H 0.3793 0.0473 0.4514 0.030 Uiso 1 1 calc R . .
C76 C 0.37748(13) 0.07241(19) 0.52384(10) 0.0199(6) Uani 1 1 d . . .
H76A H 0.4132 0.1087 0.5346 0.024 Uiso 1 1 calc R . .
H76B H 0.3920 0.0184 0.5373 0.024 Uiso 1 1 calc R . .
C81 C 0.40788(12) 0.02770(16) 0.65050(10) 0.0149(6) Uani 1 1 d . . .
H81 H 0.4142 0.0346 0.6877 0.018 Uiso 1 1 calc R . .
C82 C 0.37274(12) -0.05120(17) 0.63459(11) 0.0180(6) Uani 1 1 d . . .
H82A H 0.3318 -0.0454 0.6366 0.022 Uiso 1 1 calc R . .
H82B H 0.3671 -0.0636 0.5985 0.022 Uiso 1 1 calc R . .
C83 C 0.40684(13) -0.12005(18) 0.66942(12) 0.0233(7) Uani 1 1 d . . .
H83A H 0.4088 -0.1102 0.7049 0.028 Uiso 1 1 calc R . .
H83B H 0.3842 -0.1705 0.6572 0.028 Uiso 1 1 calc R . .
C84 C 0.47139(14) -0.12835(18) 0.66958(12) 0.0250(7) Uani 1 1 d . . .
H84A H 0.4934 -0.1708 0.6940 0.030 Uiso 1 1 calc R . .
H84B H 0.4695 -0.1439 0.6348 0.030 Uiso 1 1 calc R . .
C85 C 0.50577(13) -0.04973(18) 0.68518(12) 0.0239(7) Uani 1 1 d . . .
H85A H 0.5472 -0.0556 0.6842 0.029 Uiso 1 1 calc R . .
H85B H 0.5103 -0.0366 0.7210 0.029 Uiso 1 1 calc R . .
C86 C 0.47253(12) 0.01837(18) 0.64966(11) 0.0200(6) Uani 1 1 d . . .
H86A H 0.4699 0.0070 0.6141 0.024 Uiso 1 1 calc R . .
H86B H 0.4956 0.0687 0.6611 0.024 Uiso 1 1 calc R . .
C91 C 0.42047(12) 0.19415(17) 0.62783(10) 0.0143(6) Uani 1 1 d . . .
H91 H 0.4524 0.1719 0.6159 0.017 Uiso 1 1 calc R . .
C92 C 0.39648(12) 0.27072(17) 0.59725(11) 0.0180(6) Uani 1 1 d . . .
H92A H 0.3785 0.2578 0.5601 0.022 Uiso 1 1 calc R . .
H92B H 0.3638 0.2936 0.6075 0.022 Uiso 1 1 calc R . .
C93 C 0.44721(13) 0.33248(18) 0.60642(12) 0.0238(7) Uani 1 1 d . . .
H93A H 0.4771 0.3123 0.5920 0.029 Uiso 1 1 calc R . .
H93B H 0.4294 0.3825 0.5881 0.029 Uiso 1 1 calc R . .
C94 C 0.47990(13) 0.35033(19) 0.66326(12) 0.0253(7) Uani 1 1 d . . .
H94A H 0.4514 0.3773 0.6767 0.030 Uiso 1 1 calc R . .
H94B H 0.5146 0.3869 0.6678 0.030 Uiso 1 1 calc R . .
C95 C 0.50351(13) 0.27366(18) 0.69348(12) 0.0243(7) Uani 1 1 d . . .
H95A H 0.5351 0.2496 0.6824 0.029 Uiso 1 1 calc R . .
H95B H 0.5227 0.2864 0.7306 0.029 Uiso 1 1 calc R . .
C96 C 0.45197(12) 0.21386(17) 0.68522(10) 0.0178(6) Uani 1 1 d . . .
H96A H 0.4217 0.2364 0.6984 0.021 Uiso 1 1 calc R . .
H96B H 0.4687 0.1643 0.7046 0.021 Uiso 1 1 calc R . .
C101 C 0.17132(12) 0.16827(17) 0.70419(10) 0.0149(6) Uani 1 1 d . . .
H101 H 0.1999 0.2009 0.7329 0.018 Uiso 1 1 calc R . .
C102 C 0.12305(13) 0.13392(17) 0.72342(11) 0.0182(6) Uani 1 1 d . . .
H10A H 0.0960 0.0972 0.6971 0.022 Uiso 1 1 calc R . .
H10B H 0.1438 0.1026 0.7551 0.022 Uiso 1 1 calc R . .
C103 C 0.08400(14) 0.19922(19) 0.73487(12) 0.0239(7) Uani 1 1 d . . .
H10C H 0.0515 0.1740 0.7442 0.029 Uiso 1 1 calc R . .
H10D H 0.1099 0.2314 0.7646 0.029 Uiso 1 1 calc R . .
C104 C 0.05510(13) 0.25358(19) 0.68869(11) 0.0226(7) Uani 1 1 d . . .
H10E H 0.0321 0.2967 0.6978 0.027 Uiso 1 1 calc R . .
H10F H 0.0259 0.2226 0.6599 0.027 Uiso 1 1 calc R . .
C105 C 0.10403(13) 0.28991(17) 0.67170(11) 0.0197(6) Uani 1 1 d . . .
H10G H 0.0844 0.3238 0.6410 0.024 Uiso 1 1 calc R . .
H10H H 0.1313 0.3242 0.6995 0.024 Uiso 1 1 calc R . .
C106 C 0.14165(13) 0.22508(17) 0.65899(11) 0.0179(6) Uani 1 1 d . . .
H10I H 0.1739 0.2504 0.6493 0.021 Uiso 1 1 calc R . .
H10J H 0.1149 0.1941 0.6290 0.021 Uiso 1 1 calc R . .
C111 C 0.25882(13) 0.03696(17) 0.74861(10) 0.0173(6) Uani 1 1 d . . .
H111 H 0.2284 0.0060 0.7583 0.021 Uiso 1 1 calc R . .
C112 C 0.30445(13) -0.02176(17) 0.73992(11) 0.0197(6) Uani 1 1 d . . .
H11A H 0.2822 -0.0587 0.7116 0.024 Uiso 1 1 calc R . .
H11B H 0.3344 0.0083 0.7297 0.024 Uiso 1 1 calc R . .
C113 C 0.33813(14) -0.06970(19) 0.78852(12) 0.0249(7) Uani 1 1 d . . .
H11C H 0.3085 -0.1030 0.7972 0.030 Uiso 1 1 calc R . .
H11D H 0.3679 -0.1058 0.7821 0.030 Uiso 1 1 calc R . .
C114 C 0.37150(16) -0.0151(2) 0.83350(12) 0.0326(8) Uani 1 1 d . . .
H11E H 0.3905 -0.0475 0.8650 0.039 Uiso 1 1 calc R . .
H11F H 0.4045 0.0135 0.8265 0.039 Uiso 1 1 calc R . .
C115 C 0.32787(17) 0.0450(2) 0.84203(12) 0.0345(8) Uani 1 1 d . . .
H11G H 0.3511 0.0824 0.8698 0.041 Uiso 1 1 calc R . .
H11H H 0.2980 0.0166 0.8532 0.041 Uiso 1 1 calc R . .
C116 C 0.29372(15) 0.09229(18) 0.79283(11) 0.0243(7) Uani 1 1 d . . .
H11I H 0.2648 0.1297 0.7993 0.029 Uiso 1 1 calc R . .
H11J H 0.3234 0.1241 0.7832 0.029 Uiso 1 1 calc R . .
C121 C 0.15964(13) 0.02072(17) 0.64504(11) 0.0186(6) Uani 1 1 d . . .
H121 H 0.1203 0.0511 0.6317 0.022 Uiso 1 1 calc R . .
C122 C 0.17476(13) -0.00064(19) 0.59818(11) 0.0227(7) Uani 1 1 d . . .
H12C H 0.2153 -0.0269 0.6097 0.027 Uiso 1 1 calc R . .
H12D H 0.1774 0.0490 0.5798 0.027 Uiso 1 1 calc R . .
C123 C 0.12741(14) -0.05595(19) 0.56110(12) 0.0265(7) Uani 1 1 d . . .
H12E H 0.0877 -0.0278 0.5464 0.032 Uiso 1 1 calc R . .
H12F H 0.1405 -0.0709 0.5325 0.032 Uiso 1 1 calc R . .
C124 C 0.11995(15) -0.13010(19) 0.58875(13) 0.0323(8) Uani 1 1 d . . .
H12G H 0.1591 -0.1596 0.6017 0.039 Uiso 1 1 calc R . .
H12H H 0.0888 -0.1652 0.5643 0.039 Uiso 1 1 calc R . .
C125 C 0.10064(15) -0.1099(2) 0.63340(14) 0.0319(8) Uani 1 1 d . . .
H12I H 0.0970 -0.1598 0.6511 0.038 Uiso 1 1 calc R . .
H12J H 0.0601 -0.0838 0.6202 0.038 Uiso 1 1 calc R . .
C126 C 0.14716(13) -0.05400(18) 0.67208(12) 0.0223(7) Uani 1 1 d . . .
H12K H 0.1859 -0.0832 0.6894 0.027 Uiso 1 1 calc R . .
H12L H 0.1312 -0.0373 0.6988 0.027 Uiso 1 1 calc R . .
B200 B 0.17868(14) 0.7150(2) 0.84481(12) 0.0148(7) Uani 1 1 d . . .
Cl1 Cl 0.06461(4) 1.00089(5) 0.79833(3) 0.03103(18) Uani 1 1 d . . .
Cl2 Cl -0.01345(3) 0.75148(5) 0.66999(3) 0.02788(18) Uani 1 1 d . . .
Cl3 Cl 0.28536(4) 0.77108(5) 0.70620(3) 0.02466(16) Uani 1 1 d . . .
Cl4 Cl 0.39774(3) 0.59380(6) 0.87489(3) 0.0332(2) Uani 1 1 d . . .
Cl5 Cl 0.14742(4) 0.39637(5) 0.81921(3) 0.03217(19) Uani 1 1 d . . .
Cl6 Cl 0.02155(3) 0.56672(5) 0.91053(3) 0.02573(17) Uani 1 1 d . . .
Cl7 Cl 0.25440(4) 0.70028(5) 1.05246(3) 0.03181(19) Uani 1 1 d . . .
Cl8 Cl 0.32023(4) 0.94539(5) 0.96020(3) 0.0350(2) Uani 1 1 d . . .
C201 C 0.15837(12) 0.55667(17) 0.83291(10) 0.0160(6) Uani 1 1 d . . .
H201 H 0.1874 0.5531 0.8167 0.019 Uiso 1 1 calc R . .
C202 C 0.14554(12) 0.63094(17) 0.84938(10) 0.0140(6) Uani 1 1 d . . .
C203 C 0.08750(12) 0.48904(18) 0.86389(10) 0.0176(6) Uani 1 1 d . . .
H203 H 0.0690 0.4414 0.8695 0.021 Uiso 1 1 calc R . .
C204 C 0.10088(12) 0.63230(18) 0.87199(10) 0.0171(6) Uani 1 1 d . . .
H204 H 0.0893 0.6817 0.8824 0.021 Uiso 1 1 calc R . .
C205 C 0.07396(11) 0.56253(18) 0.87917(10) 0.0165(6) Uani 1 1 d . . .
C206 C 0.12950(12) 0.48829(17) 0.83991(11) 0.0180(6) Uani 1 1 d . . .
C211 C 0.23407(12) 0.73565(16) 0.77658(10) 0.0154(6) Uani 1 1 d . . .
H211 H 0.1997 0.7650 0.7549 0.019 Uiso 1 1 calc R . .
C212 C 0.23302(12) 0.70172(17) 0.82196(10) 0.0145(6) Uani 1 1 d . . .
C213 C 0.33584(13) 0.68476(18) 0.79247(11) 0.0200(6) Uani 1 1 d . . .
H213 H 0.3706 0.6801 0.7830 0.024 Uiso 1 1 calc R . .
C214 C 0.28480(13) 0.72690(17) 0.76281(11) 0.0181(6) Uani 1 1 d . . .
C215 C 0.28469(12) 0.65724(18) 0.85155(11) 0.0177(6) Uani 1 1 d . . .
H215 H 0.2856 0.6321 0.8823 0.021 Uiso 1 1 calc R . .
C216 C 0.33397(12) 0.64965(18) 0.83660(11) 0.0198(6) Uani 1 1 d . . .
C221 C 0.21471(12) 0.75284(16) 0.90292(10) 0.0141(6) Uani 1 1 d . . .
C222 C 0.24841(12) 0.82351(17) 0.90817(10) 0.0176(6) Uani 1 1 d . . .
H222 H 0.2490 0.8497 0.8782 0.021 Uiso 1 1 calc R . .
C223 C 0.28289(12) 0.81977(18) 1.00093(11) 0.0199(6) Uani 1 1 d . . .
H223 H 0.3051 0.8426 1.0336 0.024 Uiso 1 1 calc R . .
C224 C 0.21800(12) 0.71595(17) 0.94875(10) 0.0161(6) Uani 1 1 d . . .
H224 H 0.1970 0.6671 0.9473 0.019 Uiso 1 1 calc R . .
C225 C 0.28065(12) 0.85574(18) 0.95572(11) 0.0197(6) Uani 1 1 d . . .
C226 C 0.25134(13) 0.74928(18) 0.99617(10) 0.0189(6) Uani 1 1 d . . .
C231 C 0.12518(12) 0.77428(17) 0.80734(10) 0.0151(6) Uani 1 1 d . . .
C232 C 0.11800(12) 0.85440(18) 0.81766(11) 0.0182(6) Uani 1 1 d . . .
H232 H 0.1451 0.8777 0.8486 0.022 Uiso 1 1 calc R . .
C233 C 0.08329(12) 0.74396(18) 0.76080(10) 0.0171(6) Uani 1 1 d . . .
H233 H 0.0860 0.6896 0.7521 0.021 Uiso 1 1 calc R . .
C234 C 0.07202(13) 0.90059(18) 0.78348(11) 0.0195(6) Uani 1 1 d . . .
C235 C 0.03121(13) 0.87067(19) 0.73783(11) 0.0210(7) Uani 1 1 d . . .
H235 H -0.0001 0.9030 0.7147 0.025 Uiso 1 1 calc R . .
C236 C 0.03803(12) 0.7920(2) 0.72737(10) 0.0201(7) Uani 1 1 d . . .
O300 O 0.5675(5) 0.1117(7) 0.4750(4) 0.0437(19) Uani 0.560(8) 1 d PU A 1
C301 C 0.5971(7) 0.1870(11) 0.4812(6) 0.0502(17) Uani 0.560(8) 1 d PU A 1
H30A H 0.5911 0.2111 0.4473 0.060 Uiso 0.560(8) 1 calc PR A 1
H30B H 0.6415 0.1814 0.5010 0.060 Uiso 0.560(8) 1 calc PR A 1
C302 C 0.5671(4) 0.2384(5) 0.5106(4) 0.0559(15) Uani 0.560(8) 1 d PU A 1
H30C H 0.5889 0.2326 0.5482 0.067 Uiso 0.560(8) 1 calc PR A 1
H30D H 0.5673 0.2954 0.5013 0.067 Uiso 0.560(8) 1 calc PR A 1
C303 C 0.5063(4) 0.2094(5) 0.4957(4) 0.0538(14) Uani 0.560(8) 1 d PU A 1
H30E H 0.4779 0.2429 0.4680 0.065 Uiso 0.560(8) 1 calc PR A 1
H30F H 0.4928 0.2091 0.5253 0.065 Uiso 0.560(8) 1 calc PR A 1
C304 C 0.5090(8) 0.1198(10) 0.4754(7) 0.0489(17) Uani 0.560(8) 1 d PU A 1
H30G H 0.5017 0.0801 0.4987 0.059 Uiso 0.560(8) 1 calc PR A 1
H30H H 0.4780 0.1124 0.4404 0.059 Uiso 0.560(8) 1 calc PR A 1
O310 O 0.5566(7) 0.1194(9) 0.4605(5) 0.045(2) Uani 0.440(8) 1 d PU A 2
C311 C 0.5976(10) 0.1828(15) 0.4907(7) 0.0513(19) Uani 0.440(8) 1 d PU A 2
H31A H 0.6314 0.1940 0.4786 0.062 Uiso 0.440(8) 1 calc PR A 2
H31B H 0.6143 0.1706 0.5280 0.062 Uiso 0.440(8) 1 calc PR A 2
C312 C 0.5516(5) 0.2490(6) 0.4779(5) 0.0561(15) Uani 0.440(8) 1 d PU A 2
H31C H 0.5619 0.2879 0.5065 0.067 Uiso 0.440(8) 1 calc PR A 2
H31D H 0.5501 0.2772 0.4463 0.067 Uiso 0.440(8) 1 calc PR A 2
C313 C 0.4926(5) 0.2096(7) 0.4699(5) 0.0546(16) Uani 0.440(8) 1 d PU A 2
H31E H 0.4782 0.2237 0.4980 0.066 Uiso 0.440(8) 1 calc PR A 2
H31F H 0.4612 0.2264 0.4367 0.066 Uiso 0.440(8) 1 calc PR A 2
C314 C 0.5030(11) 0.1305(14) 0.4698(9) 0.0510(18) Uani 0.440(8) 1 d PU A 2
H31G H 0.4684 0.1039 0.4427 0.061 Uiso 0.440(8) 1 calc PR A 2
H31H H 0.5072 0.1070 0.5035 0.061 Uiso 0.440(8) 1 calc PR A 2
C401 C 0.4984(4) 0.4760(6) 0.5454(3) 0.163(3) Uani 1 1 d DU . .
H40A H 0.4709 0.4721 0.5649 0.195 Uiso 1 1 calc R . .
H40B H 0.5360 0.4459 0.5650 0.195 Uiso 1 1 calc R . .
C402 C 0.4704(4) 0.4380(5) 0.4986(3) 0.159(2) Uani 1 1 d DU . .
H40C H 0.4266 0.4520 0.4872 0.191 Uiso 1 1 calc R . .
H40D H 0.4731 0.3801 0.5065 0.191 Uiso 1 1 calc R . .
C403 C 0.4861(4) 0.4463(6) 0.4554(3) 0.172(3) Uani 1 1 d DU . .
H40E H 0.5209 0.4112 0.4579 0.207 Uiso 1 1 calc R . .
H40F H 0.4510 0.4325 0.4237 0.207 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 P2 2.2592(7) . ?
Pt1 P1 2.2785(7) . ?
Pt1 Ag1 2.5955(3) . ?
Pt2 P3 2.2530(7) . ?
Pt2 P4 2.2961(7) . ?
Pt2 Ag1 2.5957(2) . ?
P1 C31 1.847(3) . ?
P1 C11 1.854(3) . ?
P1 C21 1.862(3) . ?
P2 C41 1.841(3) . ?
P2 C61 1.845(3) . ?
P2 C51 1.862(3) . ?
P3 C91 1.850(3) . ?
P3 C71 1.853(3) . ?
P3 C81 1.863(3) . ?
P4 C111 1.852(3) . ?
P4 C101 1.853(3) . ?
P4 C121 1.877(3) . ?
C11 C12 1.526(4) . ?
C11 C16 1.539(4) . ?
C11 H11 1.0000 . ?
C12 C13 1.521(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.520(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.519(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.532(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C21 C22 1.527(4) . ?
C21 C26 1.536(4) . ?
C21 H21 1.0000 . ?
C22 C23 1.525(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.519(4) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.524(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.525(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C32 1.529(4) . ?
C31 C36 1.543(4) . ?
C31 H31 1.0000 . ?
C32 C33 1.533(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.511(5) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.525(5) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.526(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C46 1.528(4) . ?
C41 C42 1.530(4) . ?
C41 H41 1.0000 . ?
C42 C43 1.523(4) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.522(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.522(4) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.528(4) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C56 1.526(4) . ?
C51 C52 1.533(4) . ?
C51 H51 1.0000 . ?
C52 C53 1.533(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.518(4) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.525(4) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.529(4) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C62 1.536(4) . ?
C61 C66 1.540(4) . ?
C61 H61 1.0000 . ?
C62 C63 1.527(4) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.515(4) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.530(4) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.529(4) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C71 C76 1.532(4) . ?
C71 C72 1.536(4) . ?
C71 H71 1.0000 . ?
C72 C73 1.529(4) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.521(4) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.523(4) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.531(4) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C81 C82 1.535(4) . ?
C81 C86 1.538(4) . ?
C81 H81 1.0000 . ?
C82 C83 1.532(4) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.523(4) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C85 1.523(4) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C86 1.525(4) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C91 C92 1.529(4) . ?
C91 C96 1.535(4) . ?
C91 H91 1.0000 . ?
C92 C93 1.528(4) . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.518(4) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.525(4) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.524(4) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C101 C106 1.529(4) . ?
C101 C102 1.536(4) . ?
C101 H101 1.0000 . ?
C102 C103 1.535(4) . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C103 C104 1.520(4) . ?
C103 H10C 0.9900 . ?
C103 H10D 0.9900 . ?
C104 C105 1.524(4) . ?
C104 H10E 0.9900 . ?
C104 H10F 0.9900 . ?
C105 C106 1.523(4) . ?
C105 H10G 0.9900 . ?
C105 H10H 0.9900 . ?
C106 H10I 0.9900 . ?
C106 H10J 0.9900 . ?
C111 C116 1.521(4) . ?
C111 C112 1.539(4) . ?
C111 H111 1.0000 . ?
C112 C113 1.525(4) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C114 1.519(4) . ?
C113 H11C 0.9900 . ?
C113 H11D 0.9900 . ?
C114 C115 1.517(5) . ?
C114 H11E 0.9900 . ?
C114 H11F 0.9900 . ?
C115 C116 1.533(4) . ?
C115 H11G 0.9900 . ?
C115 H11H 0.9900 . ?
C116 H11I 0.9900 . ?
C116 H11J 0.9900 . ?
C121 C122 1.520(4) . ?
C121 C126 1.545(4) . ?
C121 H121 1.0000 . ?
C122 C123 1.524(4) . ?
C122 H12C 0.9900 . ?
C122 H12D 0.9900 . ?
C123 C124 1.506(5) . ?
C123 H12E 0.9900 . ?
C123 H12F 0.9900 . ?
C124 C125 1.514(5) . ?
C124 H12G 0.9900 . ?
C124 H12H 0.9900 . ?
C125 C126 1.541(4) . ?
C125 H12I 0.9900 . ?
C125 H12J 0.9900 . ?
C126 H12K 0.9900 . ?
C126 H12L 0.9900 . ?
B200 C202 1.637(4) . ?
B200 C212 1.640(4) . ?
B200 C231 1.642(4) . ?
B200 C221 1.657(4) . ?
Cl1 C234 1.754(3) . ?
Cl2 C236 1.753(3) . ?
Cl3 C214 1.750(3) . ?
Cl4 C216 1.758(3) . ?
Cl5 C206 1.750(3) . ?
Cl6 C205 1.757(3) . ?
Cl7 C226 1.752(3) . ?
Cl8 C225 1.747(3) . ?
C201 C206 1.382(4) . ?
C201 C202 1.397(4) . ?
C201 H201 0.9500 . ?
C202 C204 1.411(4) . ?
C203 C205 1.378(4) . ?
C203 C206 1.383(4) . ?
C203 H203 0.9500 . ?
C204 C205 1.378(4) . ?
C204 H204 0.9500 . ?
C211 C214 1.390(4) . ?
C211 C212 1.398(4) . ?
C211 H211 0.9500 . ?
C212 C215 1.406(4) . ?
C213 C214 1.377(4) . ?
C213 C216 1.381(4) . ?
C213 H213 0.9500 . ?
C215 C216 1.375(4) . ?
C215 H215 0.9500 . ?
C221 C224 1.398(4) . ?
C221 C222 1.402(4) . ?
C222 C225 1.375(4) . ?
C222 H222 0.9500 . ?
C223 C226 1.375(4) . ?
C223 C225 1.382(4) . ?
C223 H223 0.9500 . ?
C224 C226 1.385(4) . ?
C224 H224 0.9500 . ?
C231 C232 1.396(4) . ?
C231 C233 1.406(4) . ?
C232 C234 1.386(4) . ?
C232 H232 0.9500 . ?
C233 C236 1.387(4) . ?
C233 H233 0.9500 . ?
C234 C235 1.378(4) . ?
C235 C236 1.371(4) . ?
C235 H235 0.9500 . ?
O300 C304 1.39(2) . ?
O300 C301 1.42(2) . ?
C301 C302 1.530(19) . ?
C301 H30A 0.9900 . ?
C301 H30B 0.9900 . ?
C302 C303 1.420(11) . ?
C302 H30C 0.9900 . ?
C302 H30D 0.9900 . ?
C303 C304 1.61(2) . ?
C303 H30E 0.9900 . ?
C303 H30F 0.9900 . ?
C304 H30G 0.9900 . ?
C304 H30H 0.9900 . ?
O310 C314 1.39(3) . ?
O310 C311 1.47(3) . ?
C311 C312 1.50(3) . ?
C311 H31A 0.9900 . ?
C311 H31B 0.9900 . ?
C312 C313 1.479(14) . ?
C312 H31C 0.9900 . ?
C312 H31D 0.9900 . ?
C313 C314 1.35(2) . ?
C313 H31E 0.9900 . ?
C313 H31F 0.9900 . ?
C314 H31G 0.9900 . ?
C314 H31H 0.9900 . ?
C401 C403 1.353(10) 3_666 ?
C401 C402 1.383(5) . ?
C401 H40A 0.9900 . ?
C401 H40B 0.9900 . ?
C402 C403 1.394(4) . ?
C402 H40C 0.9900 . ?
C402 H40D 0.9900 . ?
C403 C401 1.353(10) 3_666 ?
C403 H40E 0.9900 . ?
C403 H40F 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
P2 Pt1 P1 167.76(3) . . ?
P2 Pt1 Ag1 94.588(19) . . ?
P1 Pt1 Ag1 97.641(19) . . ?
P3 Pt2 P4 164.63(3) . . ?
P3 Pt2 Ag1 89.371(19) . . ?
P4 Pt2 Ag1 104.028(19) . . ?
Pt1 Ag1 Pt2 166.759(10) . . ?
C31 P1 C11 104.85(13) . . ?
C31 P1 C21 108.21(13) . . ?
C11 P1 C21 106.17(12) . . ?
C31 P1 Pt1 105.56(9) . . ?
C11 P1 Pt1 120.21(9) . . ?
C21 P1 Pt1 111.20(9) . . ?
C41 P2 C61 106.95(12) . . ?
C41 P2 C51 104.28(12) . . ?
C61 P2 C51 106.30(12) . . ?
C41 P2 Pt1 120.21(9) . . ?
C61 P2 Pt1 114.96(9) . . ?
C51 P2 Pt1 102.65(9) . . ?
C91 P3 C71 103.26(12) . . ?
C91 P3 C81 102.60(12) . . ?
C71 P3 C81 110.49(13) . . ?
C91 P3 Pt2 122.63(9) . . ?
C71 P3 Pt2 114.60(9) . . ?
C81 P3 Pt2 102.42(9) . . ?
C111 P4 C101 105.85(12) . . ?
C111 P4 C121 106.52(13) . . ?
C101 P4 C121 103.49(13) . . ?
C111 P4 Pt2 106.46(9) . . ?
C101 P4 Pt2 123.06(9) . . ?
C121 P4 Pt2 110.40(9) . . ?
C12 C11 C16 109.1(2) . . ?
C12 C11 P1 111.82(19) . . ?
C16 C11 P1 117.7(2) . . ?
C12 C11 H11 105.8 . . ?
C16 C11 H11 105.8 . . ?
P1 C11 H11 105.8 . . ?
C13 C12 C11 111.2(2) . . ?
C13 C12 H12A 109.4 . . ?
C11 C12 H12A 109.4 . . ?
C13 C12 H12B 109.4 . . ?
C11 C12 H12B 109.4 . . ?
H12A C12 H12B 108.0 . . ?
C14 C13 C12 111.9(3) . . ?
C14 C13 H13A 109.2 . . ?
C12 C13 H13A 109.2 . . ?
C14 C13 H13B 109.2 . . ?
C12 C13 H13B 109.2 . . ?
H13A C13 H13B 107.9 . . ?
C15 C14 C13 111.5(3) . . ?
C15 C14 H14A 109.3 . . ?
C13 C14 H14A 109.3 . . ?
C15 C14 H14B 109.3 . . ?
C13 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
C14 C15 C16 112.0(3) . . ?
C14 C15 H15A 109.2 . . ?
C16 C15 H15A 109.2 . . ?
C14 C15 H15B 109.2 . . ?
C16 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C15 C16 C11 110.3(3) . . ?
C15 C16 H16A 109.6 . . ?
C11 C16 H16A 109.6 . . ?
C15 C16 H16B 109.6 . . ?
C11 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C22 C21 C26 111.2(2) . . ?
C22 C21 P1 114.79(19) . . ?
C26 C21 P1 111.38(18) . . ?
C22 C21 H21 106.3 . . ?
C26 C21 H21 106.3 . . ?
P1 C21 H21 106.3 . . ?
C23 C22 C21 112.7(2) . . ?
C23 C22 H22A 109.1 . . ?
C21 C22 H22A 109.1 . . ?
C23 C22 H22B 109.1 . . ?
C21 C22 H22B 109.1 . . ?
H22A C22 H22B 107.8 . . ?
C24 C23 C22 111.8(2) . . ?
C24 C23 H23A 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C24 C23 H23B 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 C25 110.3(3) . . ?
C23 C24 H24A 109.6 . . ?
C25 C24 H24A 109.6 . . ?
C23 C24 H24B 109.6 . . ?
C25 C24 H24B 109.6 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C26 111.5(3) . . ?
C24 C25 H25A 109.3 . . ?
C26 C25 H25A 109.3 . . ?
C24 C25 H25B 109.3 . . ?
C26 C25 H25B 109.3 . . ?
H25A C25 H25B 108.0 . . ?
C25 C26 C21 111.8(2) . . ?
C25 C26 H26A 109.2 . . ?
C21 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
C21 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C32 C31 C36 110.0(2) . . ?
C32 C31 P1 110.5(2) . . ?
C36 C31 P1 109.30(19) . . ?
C32 C31 H31 109.0 . . ?
C36 C31 H31 109.0 . . ?
P1 C31 H31 109.0 . . ?
C31 C32 C33 112.5(3) . . ?
C31 C32 H32A 109.1 . . ?
C33 C32 H32A 109.1 . . ?
C31 C32 H32B 109.1 . . ?
C33 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C34 C33 C32 111.2(3) . . ?
C34 C33 H33A 109.4 . . ?
C32 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C33 C34 C35 111.0(3) . . ?
C33 C34 H34A 109.4 . . ?
C35 C34 H34A 109.4 . . ?
C33 C34 H34B 109.4 . . ?
C35 C34 H34B 109.4 . . ?
H34A C34 H34B 108.0 . . ?
C34 C35 C36 110.6(3) . . ?
C34 C35 H35A 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C35 C36 C31 111.6(3) . . ?
C35 C36 H36A 109.3 . . ?
C31 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
C31 C36 H36B 109.3 . . ?
H36A C36 H36B 108.0 . . ?
C46 C41 C42 109.2(2) . . ?
C46 C41 P2 114.39(18) . . ?
C42 C41 P2 110.29(18) . . ?
C46 C41 H41 107.6 . . ?
C42 C41 H41 107.6 . . ?
P2 C41 H41 107.6 . . ?
C43 C42 C41 110.8(2) . . ?
C43 C42 H42A 109.5 . . ?
C41 C42 H42A 109.5 . . ?
C43 C42 H42B 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 108.1 . . ?
C44 C43 C42 112.3(2) . . ?
C44 C43 H43A 109.2 . . ?
C42 C43 H43A 109.2 . . ?
C44 C43 H43B 109.2 . . ?
C42 C43 H43B 109.2 . . ?
H43A C43 H43B 107.9 . . ?
C43 C44 C45 110.9(2) . . ?
C43 C44 H44A 109.5 . . ?
C45 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C45 C44 H44B 109.5 . . ?
H44A C44 H44B 108.1 . . ?
C44 C45 C46 111.0(2) . . ?
C44 C45 H45A 109.4 . . ?
C46 C45 H45A 109.4 . . ?
C44 C45 H45B 109.4 . . ?
C46 C45 H45B 109.4 . . ?
H45A C45 H45B 108.0 . . ?
C45 C46 C41 111.1(2) . . ?
C45 C46 H46A 109.4 . . ?
C41 C46 H46A 109.4 . . ?
C45 C46 H46B 109.4 . . ?
C41 C46 H46B 109.4 . . ?
H46A C46 H46B 108.0 . . ?
C56 C51 C52 109.4(2) . . ?
C56 C51 P2 119.0(2) . . ?
C52 C51 P2 111.47(18) . . ?
C56 C51 H51 105.3 . . ?
C52 C51 H51 105.3 . . ?
P2 C51 H51 105.3 . . ?
C53 C52 C51 110.5(2) . . ?
C53 C52 H52A 109.6 . . ?
C51 C52 H52A 109.6 . . ?
C53 C52 H52B 109.6 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 108.1 . . ?
C54 C53 C52 111.1(3) . . ?
C54 C53 H53A 109.4 . . ?
C52 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C52 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C53 C54 C55 111.0(2) . . ?
C53 C54 H54A 109.4 . . ?
C55 C54 H54A 109.4 . . ?
C53 C54 H54B 109.4 . . ?
C55 C54 H54B 109.4 . . ?
H54A C54 H54B 108.0 . . ?
C54 C55 C56 111.6(3) . . ?
C54 C55 H55A 109.3 . . ?
C56 C55 H55A 109.3 . . ?
C54 C55 H55B 109.3 . . ?
C56 C55 H55B 109.3 . . ?
H55A C55 H55B 108.0 . . ?
C51 C56 C55 110.3(2) . . ?
C51 C56 H56A 109.6 . . ?
C55 C56 H56A 109.6 . . ?
C51 C56 H56B 109.6 . . ?
C55 C56 H56B 109.6 . . ?
H56A C56 H56B 108.1 . . ?
C62 C61 C66 111.8(2) . . ?
C62 C61 P2 115.86(18) . . ?
C66 C61 P2 111.05(18) . . ?
C62 C61 H61 105.8 . . ?
C66 C61 H61 105.8 . . ?
P2 C61 H61 105.8 . . ?
C63 C62 C61 110.6(2) . . ?
C63 C62 H62A 109.5 . . ?
C61 C62 H62A 109.5 . . ?
C63 C62 H62B 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 108.1 . . ?
C64 C63 C62 111.7(2) . . ?
C64 C63 H63A 109.3 . . ?
C62 C63 H63A 109.3 . . ?
C64 C63 H63B 109.3 . . ?
C62 C63 H63B 109.3 . . ?
H63A C63 H63B 107.9 . . ?
C63 C64 C65 111.0(2) . . ?
C63 C64 H64A 109.4 . . ?
C65 C64 H64A 109.4 . . ?
C63 C64 H64B 109.4 . . ?
C65 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C66 C65 C64 111.1(2) . . ?
C66 C65 H65A 109.4 . . ?
C64 C65 H65A 109.4 . . ?
C66 C65 H65B 109.4 . . ?
C64 C65 H65B 109.4 . . ?
H65A C65 H65B 108.0 . . ?
C65 C66 C61 111.7(2) . . ?
C65 C66 H66A 109.3 . . ?
C61 C66 H66A 109.3 . . ?
C65 C66 H66B 109.3 . . ?
C61 C66 H66B 109.3 . . ?
H66A C66 H66B 107.9 . . ?
C76 C71 C72 110.9(2) . . ?
C76 C71 P3 115.74(18) . . ?
C72 C71 P3 113.20(18) . . ?
C76 C71 H71 105.3 . . ?
C72 C71 H71 105.3 . . ?
P3 C71 H71 105.3 . . ?
C73 C72 C71 111.6(2) . . ?
C73 C72 H72A 109.3 . . ?
C71 C72 H72A 109.3 . . ?
C73 C72 H72B 109.3 . . ?
C71 C72 H72B 109.3 . . ?
H72A C72 H72B 108.0 . . ?
C74 C73 C72 111.1(2) . . ?
C74 C73 H73A 109.4 . . ?
C72 C73 H73A 109.4 . . ?
C74 C73 H73B 109.4 . . ?
C72 C73 H73B 109.4 . . ?
H73A C73 H73B 108.0 . . ?
C73 C74 C75 111.0(2) . . ?
C73 C74 H74A 109.4 . . ?
C75 C74 H74A 109.4 . . ?
C73 C74 H74B 109.4 . . ?
C75 C74 H74B 109.4 . . ?
H74A C74 H74B 108.0 . . ?
C74 C75 C76 111.2(2) . . ?
C74 C75 H75A 109.4 . . ?
C76 C75 H75A 109.4 . . ?
C74 C75 H75B 109.4 . . ?
C76 C75 H75B 109.4 . . ?
H75A C75 H75B 108.0 . . ?
C75 C76 C71 111.5(2) . . ?
C75 C76 H76A 109.3 . . ?
C71 C76 H76A 109.3 . . ?
C75 C76 H76B 109.3 . . ?
C71 C76 H76B 109.3 . . ?
H76A C76 H76B 108.0 . . ?
C82 C81 C86 109.8(2) . . ?
C82 C81 P3 112.62(18) . . ?
C86 C81 P3 118.30(19) . . ?
C82 C81 H81 104.9 . . ?
C86 C81 H81 104.9 . . ?
P3 C81 H81 104.9 . . ?
C83 C82 C81 111.3(2) . . ?
C83 C82 H82A 109.4 . . ?
C81 C82 H82A 109.4 . . ?
C83 C82 H82B 109.4 . . ?
C81 C82 H82B 109.4 . . ?
H82A C82 H82B 108.0 . . ?
C84 C83 C82 111.1(2) . . ?
C84 C83 H83A 109.4 . . ?
C82 C83 H83A 109.4 . . ?
C84 C83 H83B 109.4 . . ?
C82 C83 H83B 109.4 . . ?
H83A C83 H83B 108.0 . . ?
C85 C84 C83 110.2(2) . . ?
C85 C84 H84A 109.6 . . ?
C83 C84 H84A 109.6 . . ?
C85 C84 H84B 109.6 . . ?
C83 C84 H84B 109.6 . . ?
H84A C84 H84B 108.1 . . ?
C84 C85 C86 111.6(2) . . ?
C84 C85 H85A 109.3 . . ?
C86 C85 H85A 109.3 . . ?
C84 C85 H85B 109.3 . . ?
C86 C85 H85B 109.3 . . ?
H85A C85 H85B 108.0 . . ?
C85 C86 C81 109.8(2) . . ?
C85 C86 H86A 109.7 . . ?
C81 C86 H86A 109.7 . . ?
C85 C86 H86B 109.7 . . ?
C81 C86 H86B 109.7 . . ?
H86A C86 H86B 108.2 . . ?
C92 C91 C96 109.9(2) . . ?
C92 C91 P3 114.00(18) . . ?
C96 C91 P3 111.11(18) . . ?
C92 C91 H91 107.2 . . ?
C96 C91 H91 107.2 . . ?
P3 C91 H91 107.2 . . ?
C93 C92 C91 111.6(2) . . ?
C93 C92 H92A 109.3 . . ?
C91 C92 H92A 109.3 . . ?
C93 C92 H92B 109.3 . . ?
C91 C92 H92B 109.3 . . ?
H92A C92 H92B 108.0 . . ?
C94 C93 C92 111.9(2) . . ?
C94 C93 H93A 109.2 . . ?
C92 C93 H93A 109.2 . . ?
C94 C93 H93B 109.2 . . ?
C92 C93 H93B 109.2 . . ?
H93A C93 H93B 107.9 . . ?
C93 C94 C95 110.8(3) . . ?
C93 C94 H94A 109.5 . . ?
C95 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
C95 C94 H94B 109.5 . . ?
H94A C94 H94B 108.1 . . ?
C96 C95 C94 111.2(2) . . ?
C96 C95 H95A 109.4 . . ?
C94 C95 H95A 109.4 . . ?
C96 C95 H95B 109.4 . . ?
C94 C95 H95B 109.4 . . ?
H95A C95 H95B 108.0 . . ?
C95 C96 C91 110.6(2) . . ?
C95 C96 H96A 109.5 . . ?
C91 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
C91 C96 H96B 109.5 . . ?
H96A C96 H96B 108.1 . . ?
C106 C101 C102 110.5(2) . . ?
C106 C101 P4 111.21(18) . . ?
C102 C101 P4 114.0(2) . . ?
C106 C101 H101 106.9 . . ?
C102 C101 H101 106.9 . . ?
P4 C101 H101 106.9 . . ?
C103 C102 C101 112.5(2) . . ?
C103 C102 H10A 109.1 . . ?
C101 C102 H10A 109.1 . . ?
C103 C102 H10B 109.1 . . ?
C101 C102 H10B 109.1 . . ?
H10A C102 H10B 107.8 . . ?
C104 C103 C102 111.4(2) . . ?
C104 C103 H10C 109.3 . . ?
C102 C103 H10C 109.3 . . ?
C104 C103 H10D 109.3 . . ?
C102 C103 H10D 109.3 . . ?
H10C C103 H10D 108.0 . . ?
C103 C104 C105 110.5(2) . . ?
C103 C104 H10E 109.6 . . ?
C105 C104 H10E 109.6 . . ?
C103 C104 H10F 109.6 . . ?
C105 C104 H10F 109.6 . . ?
H10E C104 H10F 108.1 . . ?
C106 C105 C104 111.0(2) . . ?
C106 C105 H10G 109.4 . . ?
C104 C105 H10G 109.4 . . ?
C106 C105 H10H 109.4 . . ?
C104 C105 H10H 109.4 . . ?
H10G C105 H10H 108.0 . . ?
C105 C106 C101 112.3(2) . . ?
C105 C106 H10I 109.1 . . ?
C101 C106 H10I 109.1 . . ?
C105 C106 H10J 109.1 . . ?
C101 C106 H10J 109.1 . . ?
H10I C106 H10J 107.9 . . ?
C116 C111 C112 108.5(2) . . ?
C116 C111 P4 112.7(2) . . ?
C112 C111 P4 109.14(18) . . ?
C116 C111 H111 108.8 . . ?
C112 C111 H111 108.8 . . ?
P4 C111 H111 108.8 . . ?
C113 C112 C111 111.1(2) . . ?
C113 C112 H11A 109.4 . . ?
C111 C112 H11A 109.4 . . ?
C113 C112 H11B 109.4 . . ?
C111 C112 H11B 109.4 . . ?
H11A C112 H11B 108.0 . . ?
C114 C113 C112 111.2(3) . . ?
C114 C113 H11C 109.4 . . ?
C112 C113 H11C 109.4 . . ?
C114 C113 H11D 109.4 . . ?
C112 C113 H11D 109.4 . . ?
H11C C113 H11D 108.0 . . ?
C115 C114 C113 110.8(3) . . ?
C115 C114 H11E 109.5 . . ?
C113 C114 H11E 109.5 . . ?
C115 C114 H11F 109.5 . . ?
C113 C114 H11F 109.5 . . ?
H11E C114 H11F 108.1 . . ?
C114 C115 C116 111.3(3) . . ?
C114 C115 H11G 109.4 . . ?
C116 C115 H11G 109.4 . . ?
C114 C115 H11H 109.4 . . ?
C116 C115 H11H 109.4 . . ?
H11G C115 H11H 108.0 . . ?
C111 C116 C115 111.2(3) . . ?
C111 C116 H11I 109.4 . . ?
C115 C116 H11I 109.4 . . ?
C111 C116 H11J 109.4 . . ?
C115 C116 H11J 109.4 . . ?
H11I C116 H11J 108.0 . . ?
C122 C121 C126 112.2(2) . . ?
C122 C121 P4 110.54(19) . . ?
C126 C121 P4 115.2(2) . . ?
C122 C121 H121 106.1 . . ?
C126 C121 H121 106.1 . . ?
P4 C121 H121 106.1 . . ?
C121 C122 C123 112.6(2) . . ?
C121 C122 H12C 109.1 . . ?
C123 C122 H12C 109.1 . . ?
C121 C122 H12D 109.1 . . ?
C123 C122 H12D 109.1 . . ?
H12C C122 H12D 107.8 . . ?
C124 C123 C122 110.3(3) . . ?
C124 C123 H12E 109.6 . . ?
C122 C123 H12E 109.6 . . ?
C124 C123 H12F 109.6 . . ?
C122 C123 H12F 109.6 . . ?
H12E C123 H12F 108.1 . . ?
C123 C124 C125 111.4(3) . . ?
C123 C124 H12G 109.3 . . ?
C125 C124 H12G 109.3 . . ?
C123 C124 H12H 109.3 . . ?
C125 C124 H12H 109.3 . . ?
H12G C124 H12H 108.0 . . ?
C124 C125 C126 111.3(3) . . ?
C124 C125 H12I 109.4 . . ?
C126 C125 H12I 109.4 . . ?
C124 C125 H12J 109.4 . . ?
C126 C125 H12J 109.4 . . ?
H12I C125 H12J 108.0 . . ?
C125 C126 C121 111.3(3) . . ?
C125 C126 H12K 109.4 . . ?
C121 C126 H12K 109.4 . . ?
C125 C126 H12L 109.4 . . ?
C121 C126 H12L 109.4 . . ?
H12K C126 H12L 108.0 . . ?
C202 B200 C212 112.0(2) . . ?
C202 B200 C231 107.1(2) . . ?
C212 B200 C231 111.0(2) . . ?
C202 B200 C221 109.8(2) . . ?
C212 B200 C221 104.0(2) . . ?
C231 B200 C221 112.9(2) . . ?
C206 C201 C202 121.0(3) . . ?
C206 C201 H201 119.5 . . ?
C202 C201 H201 119.5 . . ?
C201 C202 C204 116.6(3) . . ?
C201 C202 B200 125.0(2) . . ?
C204 C202 B200 118.4(2) . . ?
C205 C203 C206 116.5(3) . . ?
C205 C203 H203 121.8 . . ?
C206 C203 H203 121.8 . . ?
C205 C204 C202 120.6(3) . . ?
C205 C204 H204 119.7 . . ?
C202 C204 H204 119.7 . . ?
C203 C205 C204 122.8(3) . . ?
C203 C205 Cl6 118.3(2) . . ?
C204 C205 Cl6 118.9(2) . . ?
C201 C206 C203 122.5(3) . . ?
C201 C206 Cl5 119.5(2) . . ?
C203 C206 Cl5 118.0(2) . . ?
C214 C211 C212 120.8(3) . . ?
C214 C211 H211 119.6 . . ?
C212 C211 H211 119.6 . . ?
C211 C212 C215 116.7(2) . . ?
C211 C212 B200 125.0(2) . . ?
C215 C212 B200 118.2(2) . . ?
C214 C213 C216 116.7(3) . . ?
C214 C213 H213 121.7 . . ?
C216 C213 H213 121.7 . . ?
C213 C214 C211 122.4(3) . . ?
C213 C214 Cl3 117.8(2) . . ?
C211 C214 Cl3 119.8(2) . . ?
C216 C215 C212 120.9(3) . . ?
C216 C215 H215 119.5 . . ?
C212 C215 H215 119.5 . . ?
C215 C216 C213 122.6(3) . . ?
C215 C216 Cl4 119.4(2) . . ?
C213 C216 Cl4 118.0(2) . . ?
C224 C221 C222 116.0(2) . . ?
C224 C221 B200 124.4(2) . . ?
C222 C221 B200 119.4(2) . . ?
C225 C222 C221 121.5(3) . . ?
C225 C222 H222 119.2 . . ?
C221 C222 H222 119.2 . . ?
C226 C223 C225 116.6(3) . . ?
C226 C223 H223 121.7 . . ?
C225 C223 H223 121.7 . . ?
C226 C224 C221 121.3(3) . . ?
C226 C224 H224 119.4 . . ?
C221 C224 H224 119.4 . . ?
C222 C225 C223 122.3(3) . . ?
C222 C225 Cl8 119.8(2) . . ?
C223 C225 Cl8 117.9(2) . . ?
C223 C226 C224 122.3(3) . . ?
C223 C226 Cl7 118.2(2) . . ?
C224 C226 Cl7 119.5(2) . . ?
C232 C231 C233 116.2(3) . . ?
C232 C231 B200 124.9(2) . . ?
C233 C231 B200 118.9(3) . . ?
C234 C232 C231 121.1(3) . . ?
C234 C232 H232 119.4 . . ?
C231 C232 H232 119.4 . . ?
C236 C233 C231 121.1(3) . . ?
C236 C233 H233 119.4 . . ?
C231 C233 H233 119.4 . . ?
C235 C234 C232 122.5(3) . . ?
C235 C234 Cl1 118.1(2) . . ?
C232 C234 Cl1 119.4(2) . . ?
C236 C235 C234 116.7(3) . . ?
C236 C235 H235 121.6 . . ?
C234 C235 H235 121.6 . . ?
C235 C236 C233 122.3(3) . . ?
C235 C236 Cl2 118.1(2) . . ?
C233 C236 Cl2 119.5(2) . . ?
C304 O300 C301 110.9(13) . . ?
O300 C301 C302 105.2(11) . . ?
O300 C301 H30A 110.7 . . ?
C302 C301 H30A 110.7 . . ?
O300 C301 H30B 110.7 . . ?
C302 C301 H30B 110.7 . . ?
H30A C301 H30B 108.8 . . ?
C303 C302 C301 105.3(9) . . ?
C303 C302 H30C 110.7 . . ?
C301 C302 H30C 110.7 . . ?
C303 C302 H30D 110.7 . . ?
C301 C302 H30D 110.7 . . ?
H30C C302 H30D 108.8 . . ?
C302 C303 C304 104.8(9) . . ?
C302 C303 H30E 110.8 . . ?
C304 C303 H30E 110.8 . . ?
C302 C303 H30F 110.8 . . ?
C304 C303 H30F 110.8 . . ?
H30E C303 H30F 108.9 . . ?
O300 C304 C303 105.1(13) . . ?
O300 C304 H30G 110.7 . . ?
C303 C304 H30G 110.7 . . ?
O300 C304 H30H 110.7 . . ?
C303 C304 H30H 110.7 . . ?
H30G C304 H30H 108.8 . . ?
C314 O310 C311 104.1(16) . . ?
O310 C311 C312 97.7(14) . . ?
O310 C311 H31A 112.2 . . ?
C312 C311 H31A 112.2 . . ?
O310 C311 H31B 112.2 . . ?
C312 C311 H31B 112.2 . . ?
H31A C311 H31B 109.8 . . ?
C313 C312 C311 105.2(12) . . ?
C313 C312 H31C 110.7 . . ?
C311 C312 H31C 110.7 . . ?
C313 C312 H31D 110.7 . . ?
C311 C312 H31D 110.7 . . ?
H31C C312 H31D 108.8 . . ?
C314 C313 C312 106.1(13) . . ?
C314 C313 H31E 110.5 . . ?
C312 C313 H31E 110.5 . . ?
C314 C313 H31F 110.5 . . ?
C312 C313 H31F 110.5 . . ?
H31E C313 H31F 108.7 . . ?
C313 C314 O310 108(2) . . ?
C313 C314 H31G 110.1 . . ?
O310 C314 H31G 110.1 . . ?
C313 C314 H31H 110.1 . . ?
O310 C314 H31H 110.1 . . ?
H31G C314 H31H 108.4 . . ?
C403 C401 C402 117.8(8) 3_666 . ?
C403 C401 H40A 107.9 3_666 . ?
C402 C401 H40A 107.9 . . ?
C403 C401 H40B 107.9 3_666 . ?
C402 C401 H40B 107.9 . . ?
H40A C401 H40B 107.2 . . ?
C401 C402 C403 125.9(6) . . ?
C401 C402 H40C 105.8 . . ?
C403 C402 H40C 105.8 . . ?
C401 C402 H40D 105.8 . . ?
C403 C402 H40D 105.8 . . ?
H40C C402 H40D 106.2 . . ?
C401 C403 C402 105.6(8) 3_666 . ?
C401 C403 H40E 110.6 3_666 . ?
C402 C403 H40E 110.6 . . ?
C401 C403 H40F 110.6 3_666 . ?
C402 C403 H40F 110.6 . . ?
H40E C403 H40F 108.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P2 Pt1 Ag1 Pt2 -149.63(4) . . . . ?
P1 Pt1 Ag1 Pt2 30.92(5) . . . . ?
P3 Pt2 Ag1 Pt1 -133.13(4) . . . . ?
P4 Pt2 Ag1 Pt1 54.48(5) . . . . ?
P2 Pt1 P1 C31 37.48(16) . . . . ?
Ag1 Pt1 P1 C31 -145.08(10) . . . . ?
P2 Pt1 P1 C11 155.51(14) . . . . ?
Ag1 Pt1 P1 C11 -27.05(10) . . . . ?
P2 Pt1 P1 C21 -79.64(15) . . . . ?
Ag1 Pt1 P1 C21 97.79(10) . . . . ?
P1 Pt1 P2 C41 -133.89(14) . . . . ?
Ag1 Pt1 P2 C41 48.66(10) . . . . ?
P1 Pt1 P2 C61 96.08(15) . . . . ?
Ag1 Pt1 P2 C61 -81.37(10) . . . . ?
P1 Pt1 P2 C51 -18.85(16) . . . . ?
Ag1 Pt1 P2 C51 163.69(9) . . . . ?
P4 Pt2 P3 C91 -151.44(12) . . . . ?
Ag1 Pt2 P3 C91 57.55(10) . . . . ?
P4 Pt2 P3 C71 82.20(14) . . . . ?
Ag1 Pt2 P3 C71 -68.80(10) . . . . ?
P4 Pt2 P3 C81 -37.47(14) . . . . ?
Ag1 Pt2 P3 C81 171.52(9) . . . . ?
P3 Pt2 P4 C111 63.42(14) . . . . ?
Ag1 Pt2 P4 C111 -146.55(10) . . . . ?
P3 Pt2 P4 C101 -174.42(12) . . . . ?
Ag1 Pt2 P4 C101 -24.39(11) . . . . ?
P3 Pt2 P4 C121 -51.80(14) . . . . ?
Ag1 Pt2 P4 C121 98.22(10) . . . . ?
C31 P1 C11 C12 -167.0(2) . . . . ?
C21 P1 C11 C12 -52.6(2) . . . . ?
Pt1 P1 C11 C12 74.6(2) . . . . ?
C31 P1 C11 C16 -39.6(2) . . . . ?
C21 P1 C11 C16 74.8(2) . . . . ?
Pt1 P1 C11 C16 -158.00(17) . . . . ?
C16 C11 C12 C13 58.7(3) . . . . ?
P1 C11 C12 C13 -169.3(2) . . . . ?
C11 C12 C13 C14 -56.4(3) . . . . ?
C12 C13 C14 C15 52.9(4) . . . . ?
C13 C14 C15 C16 -53.1(4) . . . . ?
C14 C15 C16 C11 56.4(4) . . . . ?
C12 C11 C16 C15 -58.4(3) . . . . ?
P1 C11 C16 C15 172.8(2) . . . . ?
C31 P1 C21 C22 33.9(2) . . . . ?
C11 P1 C21 C22 -78.2(2) . . . . ?
Pt1 P1 C21 C22 149.38(18) . . . . ?
C31 P1 C21 C26 -93.6(2) . . . . ?
C11 P1 C21 C26 154.3(2) . . . . ?
Pt1 P1 C21 C26 21.9(2) . . . . ?
C26 C21 C22 C23 -51.5(3) . . . . ?
P1 C21 C22 C23 -179.1(2) . . . . ?
C21 C22 C23 C24 54.0(4) . . . . ?
C22 C23 C24 C25 -55.9(3) . . . . ?
C23 C24 C25 C26 57.0(3) . . . . ?
C24 C25 C26 C21 -55.7(3) . . . . ?
C22 C21 C26 C25 52.2(3) . . . . ?
P1 C21 C26 C25 -178.3(2) . . . . ?
C11 P1 C31 C32 -179.85(19) . . . . ?
C21 P1 C31 C32 67.2(2) . . . . ?
Pt1 P1 C31 C32 -52.0(2) . . . . ?
C11 P1 C31 C36 -58.6(2) . . . . ?
C21 P1 C31 C36 -171.60(18) . . . . ?
Pt1 P1 C31 C36 69.27(19) . . . . ?
C36 C31 C32 C33 53.3(3) . . . . ?
P1 C31 C32 C33 174.1(2) . . . . ?
C31 C32 C33 C34 -54.8(4) . . . . ?
C32 C33 C34 C35 56.2(4) . . . . ?
C33 C34 C35 C36 -57.6(4) . . . . ?
C34 C35 C36 C31 57.1(3) . . . . ?
C32 C31 C36 C35 -54.6(3) . . . . ?
P1 C31 C36 C35 -176.1(2) . . . . ?
C61 P2 C41 C46 59.6(2) . . . . ?
C51 P2 C41 C46 171.95(19) . . . . ?
Pt1 P2 C41 C46 -73.9(2) . . . . ?
C61 P2 C41 C42 -176.81(19) . . . . ?
C51 P2 C41 C42 -64.5(2) . . . . ?
Pt1 P2 C41 C42 49.7(2) . . . . ?
C46 C41 C42 C43 -57.4(3) . . . . ?
P2 C41 C42 C43 176.0(2) . . . . ?
C41 C42 C43 C44 56.1(3) . . . . ?
C42 C43 C44 C45 -54.1(3) . . . . ?
C43 C44 C45 C46 54.3(3) . . . . ?
C44 C45 C46 C41 -57.5(3) . . . . ?
C42 C41 C46 C45 58.6(3) . . . . ?
P2 C41 C46 C45 -177.28(18) . . . . ?
C41 P2 C51 C56 -36.8(2) . . . . ?
C61 P2 C51 C56 76.0(2) . . . . ?
Pt1 P2 C51 C56 -162.9(2) . . . . ?
C41 P2 C51 C52 -165.58(19) . . . . ?
C61 P2 C51 C52 -52.8(2) . . . . ?
Pt1 P2 C51 C52 68.3(2) . . . . ?
C56 C51 C52 C53 59.0(3) . . . . ?
P2 C51 C52 C53 -167.3(2) . . . . ?
C51 C52 C53 C54 -57.3(3) . . . . ?
C52 C53 C54 C55 54.7(3) . . . . ?
C53 C54 C55 C56 -54.8(3) . . . . ?
C52 C51 C56 C55 -58.7(3) . . . . ?
P2 C51 C56 C55 171.6(2) . . . . ?
C54 C55 C56 C51 57.1(3) . . . . ?
C41 P2 C61 C62 35.2(2) . . . . ?
C51 P2 C61 C62 -75.8(2) . . . . ?
Pt1 P2 C61 C62 171.38(18) . . . . ?
C41 P2 C61 C66 -93.8(2) . . . . ?
C51 P2 C61 C66 155.3(2) . . . . ?
Pt1 P2 C61 C66 42.4(2) . . . . ?
C66 C61 C62 C63 -53.7(3) . . . . ?
P2 C61 C62 C63 177.7(2) . . . . ?
C61 C62 C63 C64 56.2(3) . . . . ?
C62 C63 C64 C65 -57.6(3) . . . . ?
C63 C64 C65 C66 56.2(3) . . . . ?
C64 C65 C66 C61 -54.1(3) . . . . ?
C62 C61 C66 C65 53.3(3) . . . . ?
P2 C61 C66 C65 -175.6(2) . . . . ?
C91 P3 C71 C76 61.8(2) . . . . ?
C81 P3 C71 C76 -47.3(2) . . . . ?
Pt2 P3 C71 C76 -162.35(18) . . . . ?
C91 P3 C71 C72 -168.6(2) . . . . ?
C81 P3 C71 C72 82.3(2) . . . . ?
Pt2 P3 C71 C72 -32.8(2) . . . . ?
C76 C71 C72 C73 -54.4(3) . . . . ?
P3 C71 C72 C73 173.6(2) . . . . ?
C71 C72 C73 C74 55.7(3) . . . . ?
C72 C73 C74 C75 -56.5(3) . . . . ?
C73 C74 C75 C76 56.5(3) . . . . ?
C74 C75 C76 C71 -55.5(3) . . . . ?
C72 C71 C76 C75 54.2(3) . . . . ?
P3 C71 C76 C75 -175.1(2) . . . . ?
C91 P3 C81 C82 -163.39(19) . . . . ?
C71 P3 C81 C82 -53.9(2) . . . . ?
Pt2 P3 C81 C82 68.7(2) . . . . ?
C91 P3 C81 C86 -33.5(2) . . . . ?
C71 P3 C81 C86 76.0(2) . . . . ?
Pt2 P3 C81 C86 -161.5(2) . . . . ?
C86 C81 C82 C83 56.8(3) . . . . ?
P3 C81 C82 C83 -169.10(19) . . . . ?
C81 C82 C83 C84 -56.2(3) . . . . ?
C82 C83 C84 C85 55.6(3) . . . . ?
C83 C84 C85 C86 -57.4(3) . . . . ?
C84 C85 C86 C81 58.5(3) . . . . ?
C82 C81 C86 C85 -57.4(3) . . . . ?
P3 C81 C86 C85 171.5(2) . . . . ?
C71 P3 C91 C92 55.8(2) . . . . ?
C81 P3 C91 C92 170.8(2) . . . . ?
Pt2 P3 C91 C92 -75.4(2) . . . . ?
C71 P3 C91 C96 -179.31(19) . . . . ?
C81 P3 C91 C96 -64.4(2) . . . . ?
Pt2 P3 C91 C96 49.5(2) . . . . ?
C96 C91 C92 C93 55.6(3) . . . . ?
P3 C91 C92 C93 -178.9(2) . . . . ?
C91 C92 C93 C94 -54.8(3) . . . . ?
C92 C93 C94 C95 54.3(3) . . . . ?
C93 C94 C95 C96 -56.2(3) . . . . ?
C94 C95 C96 C91 58.0(3) . . . . ?
C92 C91 C96 C95 -57.2(3) . . . . ?
P3 C91 C96 C95 175.64(19) . . . . ?
C111 P4 C101 C106 172.5(2) . . . . ?
C121 P4 C101 C106 -75.7(2) . . . . ?
Pt2 P4 C101 C106 50.0(2) . . . . ?
C111 P4 C101 C102 -61.8(2) . . . . ?
C121 P4 C101 C102 50.0(2) . . . . ?
Pt2 P4 C101 C102 175.77(16) . . . . ?
C106 C101 C102 C103 -52.1(3) . . . . ?
P4 C101 C102 C103 -178.3(2) . . . . ?
C101 C102 C103 C104 54.2(3) . . . . ?
C102 C103 C104 C105 -56.1(3) . . . . ?
C103 C104 C105 C106 57.4(3) . . . . ?
C104 C105 C106 C101 -56.8(3) . . . . ?
C102 C101 C106 C105 53.5(3) . . . . ?
P4 C101 C106 C105 -178.8(2) . . . . ?
C101 P4 C111 C116 -53.0(2) . . . . ?
C121 P4 C111 C116 -162.7(2) . . . . ?
Pt2 P4 C111 C116 79.5(2) . . . . ?
C101 P4 C111 C112 -173.59(19) . . . . ?
C121 P4 C111 C112 76.7(2) . . . . ?
Pt2 P4 C111 C112 -41.1(2) . . . . ?
C116 C111 C112 C113 58.2(3) . . . . ?
P4 C111 C112 C113 -178.6(2) . . . . ?
C111 C112 C113 C114 -57.5(3) . . . . ?
C112 C113 C114 C115 55.1(4) . . . . ?
C113 C114 C115 C116 -54.9(4) . . . . ?
C112 C111 C116 C115 -57.9(3) . . . . ?
P4 C111 C116 C115 -178.9(2) . . . . ?
C114 C115 C116 C111 57.3(4) . . . . ?
C111 P4 C121 C122 -114.0(2) . . . . ?
C101 P4 C121 C122 134.6(2) . . . . ?
Pt2 P4 C121 C122 1.2(2) . . . . ?
C111 P4 C121 C126 14.4(2) . . . . ?
C101 P4 C121 C126 -97.0(2) . . . . ?
Pt2 P4 C121 C126 129.59(19) . . . . ?
C126 C121 C122 C123 51.9(3) . . . . ?
P4 C121 C122 C123 -178.1(2) . . . . ?
C121 C122 C123 C124 -55.6(4) . . . . ?
C122 C123 C124 C125 58.5(3) . . . . ?
C123 C124 C125 C126 -57.9(4) . . . . ?
C124 C125 C126 C121 53.0(4) . . . . ?
C122 C121 C126 C125 -50.1(3) . . . . ?
P4 C121 C126 C125 -177.7(2) . . . . ?
C206 C201 C202 C204 -1.6(4) . . . . ?
C206 C201 C202 B200 177.8(2) . . . . ?
C212 B200 C202 C201 -4.0(4) . . . . ?
C231 B200 C202 C201 118.0(3) . . . . ?
C221 B200 C202 C201 -119.0(3) . . . . ?
C212 B200 C202 C204 175.4(2) . . . . ?
C231 B200 C202 C204 -62.6(3) . . . . ?
C221 B200 C202 C204 60.4(3) . . . . ?
C201 C202 C204 C205 2.9(4) . . . . ?
B200 C202 C204 C205 -176.6(2) . . . . ?
C206 C203 C205 C204 -0.9(4) . . . . ?
C206 C203 C205 Cl6 -179.3(2) . . . . ?
C202 C204 C205 C203 -1.7(4) . . . . ?
C202 C204 C205 Cl6 176.7(2) . . . . ?
C202 C201 C206 C203 -0.9(4) . . . . ?
C202 C201 C206 Cl5 -179.4(2) . . . . ?
C205 C203 C206 C201 2.2(4) . . . . ?
C205 C203 C206 Cl5 -179.3(2) . . . . ?
C214 C211 C212 C215 -1.6(4) . . . . ?
C214 C211 C212 B200 174.0(3) . . . . ?
C202 B200 C212 C211 119.4(3) . . . . ?
C231 B200 C212 C211 -0.3(4) . . . . ?
C221 B200 C212 C211 -122.0(3) . . . . ?
C202 B200 C212 C215 -65.0(3) . . . . ?
C231 B200 C212 C215 175.3(2) . . . . ?
C221 B200 C212 C215 53.5(3) . . . . ?
C216 C213 C214 C211 1.3(4) . . . . ?
C216 C213 C214 Cl3 -179.2(2) . . . . ?
C212 C211 C214 C213 0.3(4) . . . . ?
C212 C211 C214 Cl3 -179.2(2) . . . . ?
C211 C212 C215 C216 1.4(4) . . . . ?
B200 C212 C215 C216 -174.5(3) . . . . ?
C212 C215 C216 C213 0.2(4) . . . . ?
C212 C215 C216 Cl4 179.8(2) . . . . ?
C214 C213 C216 C215 -1.5(4) . . . . ?
C214 C213 C216 Cl4 178.9(2) . . . . ?
C202 B200 C221 C224 2.5(4) . . . . ?
C212 B200 C221 C224 -117.6(3) . . . . ?
C231 B200 C221 C224 122.0(3) . . . . ?
C202 B200 C221 C222 177.5(2) . . . . ?
C212 B200 C221 C222 57.4(3) . . . . ?
C231 B200 C221 C222 -63.1(3) . . . . ?
C224 C221 C222 C225 -2.5(4) . . . . ?
B200 C221 C222 C225 -177.9(3) . . . . ?
C222 C221 C224 C226 1.8(4) . . . . ?
B200 C221 C224 C226 177.0(3) . . . . ?
C221 C222 C225 C223 1.5(4) . . . . ?
C221 C222 C225 Cl8 -178.2(2) . . . . ?
C226 C223 C225 C222 0.3(4) . . . . ?
C226 C223 C225 Cl8 -180.0(2) . . . . ?
C225 C223 C226 C224 -1.0(4) . . . . ?
C225 C223 C226 Cl7 178.5(2) . . . . ?
C221 C224 C226 C223 -0.1(4) . . . . ?
C221 C224 C226 Cl7 -179.6(2) . . . . ?
C202 B200 C231 C232 134.1(3) . . . . ?
C212 B200 C231 C232 -103.3(3) . . . . ?
C221 B200 C231 C232 13.0(4) . . . . ?
C202 B200 C231 C233 -46.8(3) . . . . ?
C212 B200 C231 C233 75.8(3) . . . . ?
C221 B200 C231 C233 -167.8(2) . . . . ?
C233 C231 C232 C234 -0.1(4) . . . . ?
B200 C231 C232 C234 179.0(3) . . . . ?
C232 C231 C233 C236 0.5(4) . . . . ?
B200 C231 C233 C236 -178.7(2) . . . . ?
C231 C232 C234 C235 -0.1(4) . . . . ?
C231 C232 C234 Cl1 179.7(2) . . . . ?
C232 C234 C235 C236 0.0(4) . . . . ?
Cl1 C234 C235 C236 -179.8(2) . . . . ?
C234 C235 C236 C233 0.4(4) . . . . ?
C234 C235 C236 Cl2 179.4(2) . . . . ?
C231 C233 C236 C235 -0.6(4) . . . . ?
C231 C233 C236 Cl2 -179.6(2) . . . . ?
C304 O300 C301 C302 26.4(15) . . . . ?
O300 C301 C302 C303 -30.2(13) . . . . ?
C301 C302 C303 C304 22.1(12) . . . . ?
C301 O300 C304 C303 -12.5(15) . . . . ?
C302 C303 C304 O300 -7.1(13) . . . . ?
C314 O310 C311 C312 -42.3(16) . . . . ?
O310 C311 C312 C313 30.6(15) . . . . ?
C311 C312 C313 C314 -8.9(17) . . . . ?
C312 C313 C314 O310 -18.9(19) . . . . ?
C311 O310 C314 C313 40(2) . . . . ?
C403 C401 C402 C403 40.9(18) 3_666 . . . ?
C401 C402 C403 C401 -37.0(16) . . . 3_666 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.033
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.088


# start Validation Reply Form
_vrf_PLAT360_3                   
;
PROBLEM: Short  C(sp3)-C(sp3) Bond  C401   -   C402   ...       1.38 Ang. 
RESPONSE: This alert is neglectible because it's generated by a solvent molecule.
;
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive, Light-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1027225'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_4

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C96 H144 B Cl8 P4 Pt2 Tl'

_chemical_formula_sum            'C96 H144 B Cl8 P4 Pt2 Tl'
_chemical_formula_weight         2310.94

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'
B B 0.0013 0.0007 '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'
Tl Tl -2.8358 9.6688 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   20.429(7)
_cell_length_b                   17.201(6)
_cell_length_c                   27.925(10)
_cell_angle_alpha                90
_cell_angle_beta                 99.446(9)
_cell_angle_gamma                90
_cell_volume                     9680(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             4632
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    4.875
_shelx_estimated_absorpt_T_min   0.528
_shelx_estimated_absorpt_T_max   0.696
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5387
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
;
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            ?
_diffrn_reflns_av_unetI/netI     0.0283
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         1.010
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             19803
_reflns_number_gt                16919
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Data were apparently pre-merged, so _diffrn_reflns_number
 etc. will have to be added later.
 
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
 The 828 reported least-squares restraints as shown by 
 _refine_ls_number_restraints key are attributed to DELU keyword 
 in ShelXL input ('rigid bond' restraint for all bonds in the 
 connectivity list; standard values of 0.01 for both parameters 
 s1 and s2 were used). 
 The displacement parameters of C atoms of some of the residue 
 Cy and ArCl were restrained to the same value with similarity 
 restraint SIMU. 
 The Uii displacement parameters of C atoms of some of the residue 
 Cy and ArCl were restrained with ISOR keyword to approximate 
isotropic behavior. 
;

_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0285P)²+22.7603P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19803
_refine_ls_number_parameters     1165
_refine_ls_number_restraints     828
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0282
_refine_ls_wR_factor_ref         0.0637
_refine_ls_wR_factor_gt          0.0605
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      0.997
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.26822(2) 0.13173(2) 0.19169(2) 0.01282(4) Uani 1 1 d . . . . .
Tl1 Tl 0.22128(2) 0.27275(2) 0.16600(2) 0.02030(4) Uani 1 1 d . . . . .
P1 P 0.21761(4) 0.06132(5) 0.12675(3) 0.01405(18) Uani 1 1 d . . . . .
Pt2 Pt 0.18659(2) 0.41536(2) 0.13426(2) 0.01500(4) Uani 1 1 d . . . . .
P2 P 0.32450(4) 0.15242(6) 0.26827(3) 0.01350(18) Uani 1 1 d . . . . .
P3 P 0.26377(5) 0.44456(6) 0.08670(3) 0.0217(2) Uani 1 1 d . . . . .
P4 P 0.10836(4) 0.43375(5) 0.18247(3) 0.01411(18) Uani 1 1 d . . . . .
C14 C 0.18717(17) 0.1115(2) 0.06772(12) 0.0175(7) Uani 1 1 d . . . . .
H14A H 0.2206 0.1528 0.0645 0.021 Uiso 1 1 calc R U . . .
C15 C 0.12138(18) 0.1543(2) 0.06858(13) 0.0213(8) Uani 1 1 d . . . . .
H15A H 0.0858 0.1157 0.0701 0.026 Uiso 1 1 calc R U . . .
H15B H 0.1255 0.1869 0.0981 0.026 Uiso 1 1 calc R U . . .
C16 C 0.1805(2) 0.0628(3) 0.02075(13) 0.0268(9) Uani 1 1 d . . . . .
H16A H 0.2232 0.0367 0.0190 0.032 Uiso 1 1 calc R U . . .
H16B H 0.1464 0.0221 0.0214 0.032 Uiso 1 1 calc R U . . .
C17 C 0.09667(19) 0.1574(3) -0.02235(14) 0.0315(10) Uani 1 1 d . . . . .
H17A H 0.0599 0.1196 -0.0235 0.038 Uiso 1 1 calc R U . . .
H17B H 0.0865 0.1920 -0.0509 0.038 Uiso 1 1 calc R U . . .
C18 C 0.1611(2) 0.1140(3) -0.02428(14) 0.0337(10) Uani 1 1 d . . . . .
H18A H 0.1970 0.1519 -0.0264 0.040 Uiso 1 1 calc R U . . .
H18B H 0.1557 0.0811 -0.0538 0.040 Uiso 1 1 calc R U . . .
C19 C 0.1021(2) 0.2055(3) 0.02388(15) 0.0311(10) Uani 1 1 d . . . . .
H19A H 0.0590 0.2309 0.0253 0.037 Uiso 1 1 calc R U . . .
H19B H 0.1358 0.2467 0.0235 0.037 Uiso 1 1 calc R U . . .
C21 C 0.14244(17) 0.0147(2) 0.14312(12) 0.0169(7) Uani 1 1 d . . . . .
H21A H 0.1067 0.0549 0.1365 0.020 Uiso 1 1 calc R U . . .
C22 C 0.05746(19) -0.1042(2) 0.17870(14) 0.0239(8) Uani 1 1 d . . . . .
H22A H 0.0139 -0.1212 0.1861 0.029 Uiso 1 1 calc R U . . .
H22B H 0.0895 -0.1472 0.1874 0.029 Uiso 1 1 calc R U . . .
C23 C 0.08082(18) -0.0327(2) 0.20874(13) 0.0213(8) Uani 1 1 d . . . . .
H23A H 0.0852 -0.0453 0.2437 0.026 Uiso 1 1 calc R U . . .
H23B H 0.0476 0.0094 0.2014 0.026 Uiso 1 1 calc R U . . .
C24 C 0.11644(18) -0.0553(2) 0.11168(13) 0.0209(8) Uani 1 1 d . . . . .
H24A H 0.1503 -0.0970 0.1161 0.025 Uiso 1 1 calc R U . . .
H24B H 0.1091 -0.0397 0.0771 0.025 Uiso 1 1 calc R U . . .
C25 C 0.05127(19) -0.0868(2) 0.12471(14) 0.0247(9) Uani 1 1 d . . . . .
H25A H 0.0156 -0.0481 0.1154 0.030 Uiso 1 1 calc R U . . .
H25B H 0.0387 -0.1349 0.1060 0.030 Uiso 1 1 calc R U . . .
C26 C 0.14789(18) -0.0047(2) 0.19737(12) 0.0202(8) Uani 1 1 d . . . . .
H26A H 0.1817 -0.0458 0.2062 0.024 Uiso 1 1 calc R U . . .
H26B H 0.1623 0.0421 0.2170 0.024 Uiso 1 1 calc R U . . .
C31 C 0.33373(18) 0.0237(2) 0.09294(14) 0.0239(8) Uani 1 1 d . . . . .
H31A H 0.3181 0.0579 0.0649 0.029 Uiso 1 1 calc R U . . .
H31B H 0.3572 0.0565 0.1195 0.029 Uiso 1 1 calc R U . . .
C32 C 0.34673(19) -0.1311(2) 0.13767(16) 0.0290(9) Uani 1 1 d . . . . .
H32A H 0.3628 -0.1646 0.1660 0.035 Uiso 1 1 calc R U . . .
H32B H 0.3234 -0.1645 0.1114 0.035 Uiso 1 1 calc R U . . .
C33 C 0.29808(18) -0.0705(2) 0.15194(14) 0.0225(8) Uani 1 1 d . . . . .
H33A H 0.2597 -0.0975 0.1619 0.027 Uiso 1 1 calc R U . . .
H33B H 0.3204 -0.0401 0.1800 0.027 Uiso 1 1 calc R U . . .
C34 C 0.27352(17) -0.0153(2) 0.10982(13) 0.0185(8) Uani 1 1 d . . . . .
H34A H 0.2489 -0.0462 0.0823 0.022 Uiso 1 1 calc R U . . .
C35 C 0.40563(19) -0.0923(3) 0.12050(15) 0.0308(10) Uani 1 1 d . . . . .
H35A H 0.4348 -0.1325 0.1098 0.037 Uiso 1 1 calc R U . . .
H35B H 0.4317 -0.0631 0.1477 0.037 Uiso 1 1 calc R U . . .
C36 C 0.3821(2) -0.0367(3) 0.07842(15) 0.0326(10) Uani 1 1 d . . . . .
H36A H 0.3598 -0.0667 0.0501 0.039 Uiso 1 1 calc R U . . .
H36B H 0.4208 -0.0099 0.0689 0.039 Uiso 1 1 calc R U . . .
C41 C 0.32444(18) -0.0088(2) 0.28216(14) 0.0207(8) Uani 1 1 d . . . . .
H41A H 0.2968 -0.0068 0.3081 0.025 Uiso 1 1 calc R U . . .
H41B H 0.2945 -0.0071 0.2505 0.025 Uiso 1 1 calc R U . . .
C42 C 0.37118(17) 0.0617(2) 0.28663(12) 0.0175(7) Uani 1 1 d . . . . .
H42A H 0.4010 0.0535 0.2621 0.021 Uiso 1 1 calc R U . . .
C43 C 0.41639(19) 0.0600(2) 0.33637(13) 0.0257(9) Uani 1 1 d . . . . .
H43A H 0.4472 0.1048 0.3392 0.031 Uiso 1 1 calc R U . . .
H43B H 0.3891 0.0642 0.3625 0.031 Uiso 1 1 calc R U . . .
C44 C 0.4560(2) -0.0161(3) 0.34208(15) 0.0339(10) Uani 1 1 d . . . . .
H44A H 0.4869 -0.0171 0.3182 0.041 Uiso 1 1 calc R U . . .
H44B H 0.4830 -0.0180 0.3750 0.041 Uiso 1 1 calc R U . . .
C45 C 0.36418(19) -0.0845(2) 0.28626(14) 0.0241(8) Uani 1 1 d . . . . .
H45A H 0.3334 -0.1294 0.2838 0.029 Uiso 1 1 calc R U . . .
H45B H 0.3899 -0.0879 0.2592 0.029 Uiso 1 1 calc R U . . .
C46 C 0.4114(2) -0.0876(3) 0.33471(15) 0.0342(10) Uani 1 1 d . . . . .
H46A H 0.3852 -0.0910 0.3615 0.041 Uiso 1 1 calc R U . . .
H46B H 0.4392 -0.1349 0.3357 0.041 Uiso 1 1 calc R U . . .
C51 C 0.38658(17) 0.2316(2) 0.27985(12) 0.0181(8) Uani 1 1 d . . . . .
H51A H 0.4064 0.2297 0.3150 0.022 Uiso 1 1 calc R U . . .
C52 C 0.44328(17) 0.2213(2) 0.25052(14) 0.0238(9) Uani 1 1 d . . . . .
H52A H 0.4252 0.2221 0.2154 0.029 Uiso 1 1 calc R U . . .
H52B H 0.4651 0.1704 0.2583 0.029 Uiso 1 1 calc R U . . .
C53 C 0.35511(18) 0.3118(2) 0.26975(13) 0.0227(8) Uani 1 1 d . . . . .
H53A H 0.3359 0.3159 0.2349 0.027 Uiso 1 1 calc R U . . .
H53B H 0.3187 0.3183 0.2888 0.027 Uiso 1 1 calc R U . . .
C54 C 0.4061(2) 0.3763(3) 0.28299(14) 0.0291(9) Uani 1 1 d . . . . .
H54A H 0.3846 0.4275 0.2754 0.035 Uiso 1 1 calc R U . . .
H54B H 0.4231 0.3746 0.3183 0.035 Uiso 1 1 calc R U . . .
C55 C 0.49445(19) 0.2869(3) 0.26253(15) 0.0307(10) Uani 1 1 d . . . . .
H55A H 0.5162 0.2817 0.2968 0.037 Uiso 1 1 calc R U . . .
H55B H 0.5290 0.2813 0.2418 0.037 Uiso 1 1 calc R U . . .
C56 C 0.46358(19) 0.3673(3) 0.25497(15) 0.0297(10) Uani 1 1 d . . . . .
H56A H 0.4474 0.3756 0.2199 0.036 Uiso 1 1 calc R U . . .
H56B H 0.4977 0.4072 0.2660 0.036 Uiso 1 1 calc R U . . .
C61 C 0.27029(17) 0.1645(2) 0.31515(12) 0.0172(7) Uani 1 1 d . . . . .
H61A H 0.2579 0.1105 0.3236 0.021 Uiso 1 1 calc R U . . .
C62 C 0.20440(17) 0.2051(2) 0.29600(13) 0.0211(8) Uani 1 1 d . . . . .
H62A H 0.2128 0.2604 0.2892 0.025 Uiso 1 1 calc R U . . .
H62B H 0.1835 0.1803 0.2653 0.025 Uiso 1 1 calc R U . . .
C63 C 0.30253(19) 0.2016(3) 0.36381(12) 0.0242(9) Uani 1 1 d . . . . .
H63A H 0.3447 0.1746 0.3763 0.029 Uiso 1 1 calc R U . . .
H63B H 0.3128 0.2569 0.3585 0.029 Uiso 1 1 calc R U . . .
C64 C 0.1574(2) 0.1999(3) 0.33324(15) 0.0309(10) Uani 1 1 d . . . . .
H64A H 0.1454 0.1449 0.3373 0.037 Uiso 1 1 calc R U . . .
H64B H 0.1162 0.2289 0.3210 0.037 Uiso 1 1 calc R U . . .
C65 C 0.1887(2) 0.2332(3) 0.38265(15) 0.0358(11) Uani 1 1 d . . . . .
H65A H 0.1944 0.2901 0.3797 0.043 Uiso 1 1 calc R U . . .
H65B H 0.1585 0.2241 0.4064 0.043 Uiso 1 1 calc R U . . .
C66 C 0.2559(2) 0.1961(3) 0.40115(14) 0.0310(10) Uani 1 1 d . . . . .
H66A H 0.2493 0.1407 0.4088 0.037 Uiso 1 1 calc R U . . .
H66B H 0.2765 0.2224 0.4314 0.037 Uiso 1 1 calc R U . . .
C71 C 0.1728(2) 0.4178(3) -0.00049(15) 0.0361(11) Uani 1 1 d . . . . .
H71A H 0.1683 0.4187 -0.0363 0.043 Uiso 1 1 calc R U . . .
H71B H 0.1824 0.3635 0.0103 0.043 Uiso 1 1 calc R U . . .
C72 C 0.1071(2) 0.4427(3) 0.01403(15) 0.0359(11) Uani 1 1 d . . . . .
H72A H 0.1096 0.4363 0.0495 0.043 Uiso 1 1 calc R U . . .
H72B H 0.0711 0.4089 -0.0023 0.043 Uiso 1 1 calc R U . . .
C73 C 0.2128(3) 0.5546(3) 0.00915(17) 0.0501(15) Uani 1 1 d . . . . .
H73A H 0.2487 0.5883 0.0260 0.060 Uiso 1 1 calc R U . . .
H73B H 0.2104 0.5629 -0.0262 0.060 Uiso 1 1 calc R U . . .
C74 C 0.2314(2) 0.4691(3) 0.02092(15) 0.0374(11) Uani 1 1 d . . . . .
H74A H 0.2681 0.4565 0.0025 0.045 Uiso 1 1 calc R U . . .
C75 C 0.0912(3) 0.5276(3) 0.00015(16) 0.0435(12) Uani 1 1 d . . . . .
H75A H 0.0846 0.5333 -0.0356 0.052 Uiso 1 1 calc R U . . .
H75B H 0.0497 0.5433 0.0114 0.052 Uiso 1 1 calc R U . . .
C76 C 0.1481(3) 0.5796(3) 0.02335(19) 0.0476(13) Uani 1 1 d . . . . .
H76A H 0.1386 0.6341 0.0130 0.057 Uiso 1 1 calc R U . . .
H76B H 0.1518 0.5775 0.0591 0.057 Uiso 1 1 calc R U . . .
C81 C 0.3282(3) 0.3794(3) 0.0748(2) 0.0184(10) Uani 0.734(4) 1 d . U P A 1
H81 H 0.3547 0.4078 0.0533 0.022 Uiso 0.734(4) 1 calc R U P A 1
C82 C 0.3006(3) 0.3062(4) 0.0473(2) 0.0222(10) Uani 0.734(4) 1 d . U P A 1
H82A H 0.2701 0.2796 0.0662 0.027 Uiso 0.734(4) 1 calc R U P A 1
H82B H 0.2744 0.3218 0.0158 0.027 Uiso 0.734(4) 1 calc R U P A 1
C83 C 0.3542(3) 0.2493(3) 0.0382(2) 0.0271(10) Uani 0.734(4) 1 d . U P A 1
H83A H 0.3800 0.2723 0.0147 0.032 Uiso 0.734(4) 1 calc R U P A 1
H83B H 0.3330 0.2011 0.0237 0.032 Uiso 0.734(4) 1 calc R U P A 1
C84 C 0.4010(3) 0.2292(3) 0.0849(2) 0.0288(10) Uani 0.734(4) 1 d . U P A 1
H84A H 0.3764 0.1996 0.1066 0.035 Uiso 0.734(4) 1 calc R U P A 1
H84B H 0.4372 0.1957 0.0771 0.035 Uiso 0.734(4) 1 calc R U P A 1
C85 C 0.4305(3) 0.3011(3) 0.1109(2) 0.0250(9) Uani 0.734(4) 1 d . U P A 1
H85A H 0.4593 0.3277 0.0907 0.030 Uiso 0.734(4) 1 calc R U P A 1
H85B H 0.4584 0.2860 0.1419 0.030 Uiso 0.734(4) 1 calc R U P A 1
C86 C 0.3764(2) 0.3571(3) 0.12112(17) 0.0195(9) Uani 0.734(4) 1 d . U P A 1
H86A H 0.3974 0.4048 0.1364 0.023 Uiso 0.734(4) 1 calc R U P A 1
H86B H 0.3511 0.3326 0.1444 0.023 Uiso 0.734(4) 1 calc R U P A 1
C381 C 0.3369(9) 0.3600(10) 0.0882(6) 0.0204(13) Uani 0.266(4) 1 d . U P A 2
H381 H 0.3498 0.3438 0.1228 0.024 Uiso 0.266(4) 1 calc R U P A 2
C382 C 0.3058(9) 0.2868(11) 0.0596(6) 0.0219(13) Uani 0.266(4) 1 d . U P A 2
H38A H 0.2657 0.2702 0.0725 0.026 Uiso 0.266(4) 1 calc R U P A 2
H38B H 0.2924 0.3001 0.0249 0.026 Uiso 0.266(4) 1 calc R U P A 2
C383 C 0.3569(7) 0.2195(9) 0.0648(6) 0.0255(13) Uani 0.266(4) 1 d . U P A 2
H38C H 0.3643 0.2013 0.0989 0.031 Uiso 0.266(4) 1 calc R U P A 2
H38D H 0.3378 0.1756 0.0441 0.031 Uiso 0.266(4) 1 calc R U P A 2
C384 C 0.4204(7) 0.2402(9) 0.0514(6) 0.0270(13) Uani 0.266(4) 1 d . U P A 2
H38E H 0.4147 0.2496 0.0160 0.032 Uiso 0.266(4) 1 calc R U P A 2
H38F H 0.4519 0.1965 0.0593 0.032 Uiso 0.266(4) 1 calc R U P A 2
C385 C 0.4486(7) 0.3127(9) 0.0784(5) 0.0253(14) Uani 0.266(4) 1 d . U P A 2
H38G H 0.4584 0.3016 0.1137 0.030 Uiso 0.266(4) 1 calc R U P A 2
H38H H 0.4908 0.3272 0.0676 0.030 Uiso 0.266(4) 1 calc R U P A 2
C386 C 0.4007(7) 0.3798(9) 0.0696(5) 0.0219(13) Uani 0.266(4) 1 d . U P A 2
H38I H 0.4210 0.4268 0.0864 0.026 Uiso 0.266(4) 1 calc R U P A 2
H38J H 0.3908 0.3912 0.0344 0.026 Uiso 0.266(4) 1 calc R U P A 2
C91 C 0.30553(12) 0.53366(14) 0.11387(9) 0.0362(10) Uani 0.751(4) 1 d . U P A 1
H91 H 0.2712 0.5752 0.1058 0.043 Uiso 0.751(4) 1 calc R U P A 1
C92 C 0.36298(12) 0.56300(14) 0.09298(9) 0.0290(10) Uani 0.751(4) 1 d R U P A 1
H92A H 0.3499 0.5701 0.0575 0.035 Uiso 0.751(4) 1 calc R U P A 1
H92B H 0.3994 0.5244 0.0984 0.035 Uiso 0.751(4) 1 calc R U P A 1
C93 C 0.38781(12) 0.64148(14) 0.11654(9) 0.0344(11) Uani 0.751(4) 1 d R U P A 1
H93A H 0.4297 0.6564 0.1055 0.041 Uiso 0.751(4) 1 calc R U P A 1
H93B H 0.3545 0.6824 0.1060 0.041 Uiso 0.751(4) 1 calc R U P A 1
C94 C 0.39962(12) 0.63573(14) 0.17206(9) 0.0345(10) Uani 0.751(4) 1 d R U P A 1
H94A H 0.4359 0.5981 0.1824 0.041 Uiso 0.751(4) 1 calc R U P A 1
H94B H 0.4143 0.6871 0.1859 0.041 Uiso 0.751(4) 1 calc R U P A 1
C95 C 0.34219(12) 0.61193(14) 0.19139(9) 0.0324(10) Uani 0.751(4) 1 d R U P A 1
H95A H 0.3069 0.6517 0.1840 0.039 Uiso 0.751(4) 1 calc R U P A 1
H95B H 0.3534 0.6066 0.2271 0.039 Uiso 0.751(4) 1 calc R U P A 1
C96 C 0.31606(12) 0.52973(14) 0.16760(9) 0.0303(9) Uani 0.751(4) 1 d R U P A 1
H96A H 0.3490 0.4887 0.1789 0.036 Uiso 0.751(4) 1 calc R U P A 1
H96B H 0.2738 0.5157 0.1785 0.036 Uiso 0.751(4) 1 calc R U P A 1
C391 C 0.3038(4) 0.5336(4) 0.1138(3) 0.0332(13) Uani 0.249(4) 1 d . U P A 2
H391 H 0.3326 0.5503 0.0900 0.040 Uiso 0.249(4) 1 calc R U P A 2
C392 C 0.2856(4) 0.5904(4) 0.1273(3) 0.0309(13) Uani 0.249(4) 1 d R U P A 2
H39A H 0.2526 0.5757 0.1480 0.037 Uiso 0.249(4) 1 calc R U P A 2
H39B H 0.2603 0.6159 0.0983 0.037 Uiso 0.249(4) 1 calc R U P A 2
C393 C 0.3287(4) 0.6573(4) 0.1560(3) 0.0324(14) Uani 0.249(4) 1 d R U P A 2
H39C H 0.2986 0.6979 0.1651 0.039 Uiso 0.249(4) 1 calc R U P A 2
H39D H 0.3567 0.6814 0.1344 0.039 Uiso 0.249(4) 1 calc R U P A 2
C394 C 0.3784(4) 0.6251(4) 0.2072(3) 0.0349(15) Uani 0.249(4) 1 d R U P A 2
H39E H 0.4136 0.6635 0.2186 0.042 Uiso 0.249(4) 1 calc R U P A 2
H39F H 0.3522 0.6160 0.2335 0.042 Uiso 0.249(4) 1 calc R U P A 2
C395 C 0.4061(4) 0.5553(4) 0.1939(3) 0.0318(14) Uani 0.249(4) 1 d R U P A 2
H39G H 0.4297 0.5317 0.2243 0.038 Uiso 0.249(4) 1 calc R U P A 2
H39H H 0.4405 0.5697 0.1744 0.038 Uiso 0.249(4) 1 calc R U P A 2
C396 C 0.3658(4) 0.4917(4) 0.1667(3) 0.0311(14) Uani 0.249(4) 1 d R U P A 2
H39I H 0.3414 0.4632 0.1891 0.037 Uiso 0.249(4) 1 calc R U P A 2
H39J H 0.3957 0.4545 0.1540 0.037 Uiso 0.249(4) 1 calc R U P A 2
C101 C 0.06272(17) 0.5269(2) 0.17050(12) 0.0154(7) Uani 1 1 d . . . . .
H10A H 0.0339 0.5330 0.1960 0.019 Uiso 1 1 calc R U . . .
C102 C 0.10953(18) 0.5970(2) 0.17450(13) 0.0194(8) Uani 1 1 d . . . . .
H10B H 0.1370 0.5977 0.2072 0.023 Uiso 1 1 calc R U . . .
H10C H 0.1397 0.5917 0.1503 0.023 Uiso 1 1 calc R U . . .
C103 C 0.0715(2) 0.6738(2) 0.16597(13) 0.0245(8) Uani 1 1 d . . . . .
H10D H 0.0457 0.6823 0.1926 0.029 Uiso 1 1 calc R U . . .
H10E H 0.1035 0.7171 0.1665 0.029 Uiso 1 1 calc R U . . .
C104 C 0.01704(17) 0.5275(2) 0.12091(13) 0.0192(8) Uani 1 1 d . . . . .
H10F H 0.0439 0.5211 0.0947 0.023 Uiso 1 1 calc R U . . .
H10G H -0.0145 0.4835 0.1190 0.023 Uiso 1 1 calc R U . . .
C105 C -0.02141(19) 0.6040(2) 0.11382(14) 0.0257(9) Uani 1 1 d . . . . .
H10H H -0.0500 0.6039 0.0815 0.031 Uiso 1 1 calc R U . . .
H10I H -0.0505 0.6084 0.1387 0.031 Uiso 1 1 calc R U . . .
C106 C 0.0245(2) 0.6736(2) 0.11748(14) 0.0287(9) Uani 1 1 d . . . . .
H10J H -0.0021 0.7220 0.1143 0.034 Uiso 1 1 calc R U . . .
H10K H 0.0506 0.6722 0.0906 0.034 Uiso 1 1 calc R U . . .
C111 C 0.21299(17) 0.4704(2) 0.26073(12) 0.0201(8) Uani 1 1 d . . . . .
H11A H 0.2427 0.4427 0.2418 0.024 Uiso 1 1 calc R U . . .
H11B H 0.2124 0.5260 0.2516 0.024 Uiso 1 1 calc R U . . .
C112 C 0.14241(17) 0.4367(2) 0.24851(12) 0.0168(7) Uani 1 1 d . . . . .
H11C H 0.1463 0.3811 0.2592 0.020 Uiso 1 1 calc R U . . .
C113 C 0.12301(18) 0.4652(2) 0.33376(13) 0.0231(8) Uani 1 1 d . . . . .
H11D H 0.0933 0.4919 0.3531 0.028 Uiso 1 1 calc R U . . .
H11E H 0.1240 0.4093 0.3422 0.028 Uiso 1 1 calc R U . . .
C114 C 0.19276(18) 0.4989(3) 0.34621(13) 0.0256(9) Uani 1 1 d . . . . .
H11F H 0.2101 0.4897 0.3810 0.031 Uiso 1 1 calc R U . . .
H11G H 0.1911 0.5558 0.3407 0.031 Uiso 1 1 calc R U . . .
C115 C 0.09607(17) 0.4751(2) 0.27979(12) 0.0183(8) Uani 1 1 d . . . . .
H11H H 0.0917 0.5312 0.2719 0.022 Uiso 1 1 calc R U . . .
H11I H 0.0514 0.4514 0.2723 0.022 Uiso 1 1 calc R U . . .
C116 C 0.23947(18) 0.4618(3) 0.31522(13) 0.0247(9) Uani 1 1 d . . . . .
H11J H 0.2448 0.4059 0.3234 0.030 Uiso 1 1 calc R U . . .
H11K H 0.2837 0.4866 0.3228 0.030 Uiso 1 1 calc R U . . .
C121 C 0.02645(18) 0.3268(2) 0.12552(12) 0.0195(8) Uani 1 1 d . . . . .
H12A H 0.0171 0.3695 0.1016 0.023 Uiso 1 1 calc R U . . .
H12B H 0.0670 0.2996 0.1194 0.023 Uiso 1 1 calc R U . . .
C122 C 0.03894(17) 0.3616(2) 0.17752(12) 0.0178(7) Uani 1 1 d . . . . .
H12C H -0.0021 0.3902 0.1824 0.021 Uiso 1 1 calc R U . . .
C123 C 0.04968(19) 0.2950(2) 0.21468(13) 0.0217(8) Uani 1 1 d . . . . .
H12D H 0.0910 0.2668 0.2113 0.026 Uiso 1 1 calc R U . . .
H12E H 0.0551 0.3169 0.2479 0.026 Uiso 1 1 calc R U . . .
C124 C -0.0215(2) 0.2047(2) 0.15591(15) 0.0315(10) Uani 1 1 d . . . . .
H12F H 0.0167 0.1725 0.1506 0.038 Uiso 1 1 calc R U . . .
H12G H -0.0613 0.1710 0.1519 0.038 Uiso 1 1 calc R U . . .
C125 C -0.03195(19) 0.2696(2) 0.11855(14) 0.0264(9) Uani 1 1 d . . . . .
H12H H -0.0733 0.2979 0.1214 0.032 Uiso 1 1 calc R U . . .
H12I H -0.0370 0.2469 0.0856 0.032 Uiso 1 1 calc R U . . .
C126 C -0.0088(2) 0.2377(3) 0.20756(15) 0.0310(10) Uani 1 1 d . . . . .
H12J H 0.0009 0.1945 0.2311 0.037 Uiso 1 1 calc R U . . .
H12K H -0.0492 0.2646 0.2142 0.037 Uiso 1 1 calc R U . . .
B1 B 0.2985(2) 0.7135(3) 0.43113(16) 0.0209(9) Uani 1 1 d . . . . .
Cl1 Cl 0.14730(5) 0.95110(6) 0.35736(4) 0.0324(2) Uani 1 1 d . . . . .
Cl2 Cl 0.23151(6) 0.74423(8) 0.23624(4) 0.0451(3) Uani 1 1 d . . . . .
Cl3 Cl 0.48323(5) 0.59047(7) 0.33981(5) 0.0429(3) Uani 1 1 d . . . . .
Cl4 Cl 0.34835(6) 0.40609(6) 0.44591(4) 0.0381(3) Uani 1 1 d . . . . .
Cl7 Cl 0.19748(6) 0.75462(6) 0.59601(3) 0.0371(3) Uani 1 1 d . . . . .
Cl8 Cl 0.06561(4) 0.58397(6) 0.44930(3) 0.0266(2) Uani 1 1 d . . . . .
C201 C 0.25779(17) 0.7560(2) 0.38206(13) 0.0181(8) Uani 1 1 d . . . . .
C202 C 0.21957(17) 0.8226(2) 0.38773(13) 0.0195(8) Uani 1 1 d . . . . .
H20A H 0.2144 0.8389 0.4194 0.023 Uiso 1 1 calc R U . . .
C203 C 0.18959(18) 0.8643(2) 0.34803(14) 0.0213(8) Uani 1 1 d . . . . .
C204 C 0.19208(18) 0.8417(2) 0.30109(14) 0.0247(9) Uani 1 1 d . . . . .
H20B H 0.1710 0.8709 0.2740 0.030 Uiso 1 1 calc R U . . .
C205 C 0.22673(19) 0.7744(3) 0.29543(14) 0.0263(9) Uani 1 1 d . . . . .
C206 C 0.25938(18) 0.7326(2) 0.33435(14) 0.0220(8) Uani 1 1 d . . . . .
H20C H 0.2833 0.6872 0.3286 0.026 Uiso 1 1 calc R U . . .
C211 C 0.33743(18) 0.6353(2) 0.41769(13) 0.0216(8) Uani 1 1 d . . . . .
C212 C 0.38747(19) 0.6425(2) 0.38862(15) 0.0288(9) Uani 1 1 d . . . . .
H21B H 0.3966 0.6921 0.3762 0.035 Uiso 1 1 calc R U . . .
C213 C 0.42327(19) 0.5788(3) 0.37794(15) 0.0276(9) Uani 1 1 d . . . . .
C214 C 0.41386(18) 0.5054(2) 0.39542(13) 0.0235(8) Uani 1 1 d . . . . .
H21C H 0.4396 0.4622 0.3883 0.028 Uiso 1 1 calc R U . . .
C215 C 0.36457(19) 0.4980(2) 0.42406(13) 0.0226(8) Uani 1 1 d . . . . .
C216 C 0.32702(17) 0.5611(2) 0.43492(13) 0.0184(8) Uani 1 1 d . . . . .
H21D H 0.2936 0.5534 0.4545 0.022 Uiso 1 1 calc R U . . .
C221 C 0.24201(17) 0.6948(2) 0.46561(13) 0.0170(7) Uani 1 1 d . . . . .
C222 C 0.24469(18) 0.7253(2) 0.51249(13) 0.0200(8) Uani 1 1 d . . . . .
H22C H 0.2827 0.7537 0.5270 0.024 Uiso 1 1 calc R U . . .
C223 C 0.1923(2) 0.7144(2) 0.53788(13) 0.0233(8) Uani 1 1 d . . . . .
C224 C 0.13605(19) 0.6735(2) 0.51870(13) 0.0222(8) Uani 1 1 d . . . . .
H22D H 0.0999 0.6678 0.5359 0.027 Uiso 1 1 calc R U . . .
C225 C 0.13474(17) 0.6408(2) 0.47316(13) 0.0182(8) Uani 1 1 d . . . . .
C226 C 0.18524(17) 0.6512(2) 0.44676(12) 0.0173(7) Uani 1 1 d . . . . .
H22E H 0.1818 0.6286 0.4154 0.021 Uiso 1 1 calc R U . . .
Cl5 Cl 0.52338(7) 0.74513(10) 0.55579(8) 0.0366(6) Uani 0.721(5) 1 d . U P B 1
Cl6 Cl 0.4045(3) 0.9966(5) 0.4654(3) 0.0280(8) Uani 0.721(5) 1 d . . P B 1
C231 C 0.3564(5) 0.7714(6) 0.4570(2) 0.0200(11) Uani 0.721(5) 1 d . U P B 1
C232 C 0.4095(3) 0.7391(4) 0.4901(2) 0.0215(10) Uani 0.721(5) 1 d . U P B 1
H232 H 0.4111 0.6846 0.4957 0.026 Uiso 0.721(5) 1 calc R U P B 1
C233 C 0.4588(3) 0.7863(4) 0.5144(2) 0.0247(10) Uani 0.721(5) 1 d . U P B 1
C234 C 0.4593(3) 0.8660(4) 0.5083(2) 0.0265(10) Uani 0.721(5) 1 d . U P B 1
H234 H 0.4940 0.8975 0.5248 0.032 Uiso 0.721(5) 1 calc R U P B 1
C235 C 0.4042(5) 0.8992(6) 0.4755(3) 0.0232(11) Uani 0.721(5) 1 d . U P B 1
C236 C 0.3565(8) 0.8517(10) 0.4503(4) 0.0205(11) Uani 0.721(5) 1 d . U P B 1
H236 H 0.3224 0.8744 0.4273 0.025 Uiso 0.721(5) 1 calc R U P B 1
C331 C 0.3538(14) 0.7739(18) 0.4668(8) 0.0207(14) Uani 0.279(5) 1 d . U P B 2
C332 C 0.3984(7) 0.7486(10) 0.5078(6) 0.0223(14) Uani 0.279(5) 1 d . U P B 2
H332 H 0.3970 0.6960 0.5178 0.027 Uiso 0.279(5) 1 calc R U P B 2
C333 C 0.4438(7) 0.7979(10) 0.5335(6) 0.0251(14) Uani 0.279(5) 1 d . U P B 2
C334 C 0.4467(8) 0.8765(10) 0.5237(6) 0.0249(14) Uani 0.279(5) 1 d . U P B 2
H334 H 0.4733 0.9119 0.5446 0.030 Uiso 0.279(5) 1 calc R U P B 2
C335 C 0.4117(13) 0.8966(17) 0.4857(8) 0.0234(14) Uani 0.279(5) 1 d . U P B 2
C336 C 0.360(2) 0.853(3) 0.4570(11) 0.0212(14) Uani 0.279(5) 1 d . U P B 2
H336 H 0.333(8) 0.881(9) 0.435(5) 0.025 Uiso 0.279(5) 1 d . U P B 2
Cl35 Cl 0.4996(3) 0.7615(3) 0.5831(2) 0.058(2) Uani 0.279(5) 1 d . U P B 2
Cl36 Cl 0.4002(11) 1.0045(14) 0.4709(8) 0.049(6) Uani 0.279(5) 1 d . . P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P1 2.2822(10) . ?
Pt1 P2 2.2837(11) . ?
Pt1 Tl1 2.6631(9) . ?
Tl1 Pt2 2.6644(9) . ?
P1 C21 1.855(4) . ?
P1 C34 1.856(4) . ?
P1 C14 1.874(3) . ?
Pt2 P4 2.2743(10) . ?
Pt2 P3 2.2780(11) . ?
P2 C51 1.853(4) . ?
P2 C42 1.856(4) . ?
P2 C61 1.860(3) . ?
P3 C81 1.800(6) . ?
P3 C391 1.840(7) . ?
P3 C91 1.855(3) . ?
P3 C74 1.895(4) . ?
P3 C381 2.080(17) . ?
P4 C101 1.856(4) . ?
P4 C112 1.862(3) . ?
P4 C122 1.872(4) . ?
C14 C15 1.536(5) . ?
C14 C16 1.544(5) . ?
C14 H14A 1.0000 . ?
C15 C19 1.526(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C18 1.533(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.521(6) . ?
C17 C19 1.522(6) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C21 C24 1.533(5) . ?
C21 C26 1.537(5) . ?
C21 H21A 1.0000 . ?
C22 C23 1.522(5) . ?
C22 C25 1.522(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C26 1.534(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.535(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C31 C36 1.533(5) . ?
C31 C34 1.542(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C35 1.520(6) . ?
C32 C33 1.537(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.530(5) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 1.0000 . ?
C35 C36 1.530(6) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C41 C45 1.529(5) . ?
C41 C42 1.536(5) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.537(5) . ?
C42 H42A 1.0000 . ?
C43 C44 1.534(6) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C46 1.525(7) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 C46 1.528(6) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C51 C53 1.529(5) . ?
C51 C52 1.535(5) . ?
C51 H51A 1.0000 . ?
C52 C55 1.536(5) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.525(5) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C56 1.522(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.520(6) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C61 C62 1.533(5) . ?
C61 C63 1.547(5) . ?
C61 H61A 1.0000 . ?
C62 C64 1.529(5) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C66 1.526(5) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.533(6) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.526(6) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C71 C72 1.526(6) . ?
C71 C74 1.528(6) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C75 1.532(7) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C76 1.504(8) . ?
C73 C74 1.541(7) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 1.0000 . ?
C75 C76 1.526(6) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C81 C82 1.533(8) . ?
C81 C86 1.539(7) . ?
C81 H81 1.0000 . ?
C82 C83 1.522(8) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.525(8) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 C85 1.510(8) . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C86 1.528(7) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C381 C386 1.52(2) . ?
C381 C382 1.57(2) . ?
C381 H381 1.0000 . ?
C382 C383 1.55(2) . ?
C382 H38A 0.9900 . ?
C382 H38B 0.9900 . ?
C383 C384 1.45(2) . ?
C383 H38C 0.9900 . ?
C383 H38D 0.9900 . ?
C384 C385 1.52(2) . ?
C384 H38E 0.9900 . ?
C384 H38F 0.9900 . ?
C385 C386 1.51(2) . ?
C385 H38G 0.9900 . ?
C385 H38H 0.9900 . ?
C386 H38I 0.9900 . ?
C386 H38J 0.9900 . ?
C91 C96 1.4819 . ?
C91 C92 1.4824 . ?
C91 H91 1.0000 . ?
C92 C93 1.5503 . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C93 C94 1.5325 . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.4294 . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C96 1.6152 . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9900 . ?
C96 H96B 0.9900 . ?
C391 C392 1.1318 . ?
C391 C396 1.9214 . ?
C391 H391 1.0000 . ?
C392 C393 1.5839 . ?
C392 H39A 0.9900 . ?
C392 H39B 0.9900 . ?
C393 C394 1.7045 . ?
C393 H39C 0.9900 . ?
C393 H39D 0.9900 . ?
C394 C395 1.4031 . ?
C394 H39E 0.9900 . ?
C394 H39F 0.9900 . ?
C395 C396 1.4987 . ?
C395 H39G 0.9900 . ?
C395 H39H 0.9900 . ?
C396 H39I 0.9900 . ?
C396 H39J 0.9900 . ?
C101 C102 1.532(5) . ?
C101 C104 1.538(5) . ?
C101 H10A 1.0000 . ?
C102 C103 1.531(5) . ?
C102 H10B 0.9900 . ?
C102 H10C 0.9900 . ?
C103 C106 1.526(5) . ?
C103 H10D 0.9900 . ?
C103 H10E 0.9900 . ?
C104 C105 1.529(5) . ?
C104 H10F 0.9900 . ?
C104 H10G 0.9900 . ?
C105 C106 1.514(6) . ?
C105 H10H 0.9900 . ?
C105 H10I 0.9900 . ?
C106 H10J 0.9900 . ?
C106 H10K 0.9900 . ?
C111 C116 1.536(5) . ?
C111 C112 1.539(5) . ?
C111 H11A 0.9900 . ?
C111 H11B 0.9900 . ?
C112 C115 1.539(5) . ?
C112 H11C 1.0000 . ?
C113 C114 1.524(5) . ?
C113 C115 1.527(5) . ?
C113 H11D 0.9900 . ?
C113 H11E 0.9900 . ?
C114 C116 1.529(5) . ?
C114 H11F 0.9900 . ?
C114 H11G 0.9900 . ?
C115 H11H 0.9900 . ?
C115 H11I 0.9900 . ?
C116 H11J 0.9900 . ?
C116 H11K 0.9900 . ?
C121 C125 1.534(5) . ?
C121 C122 1.552(5) . ?
C121 H12A 0.9900 . ?
C121 H12B 0.9900 . ?
C122 C123 1.537(5) . ?
C122 H12C 1.0000 . ?
C123 C126 1.535(5) . ?
C123 H12D 0.9900 . ?
C123 H12E 0.9900 . ?
C124 C125 1.518(6) . ?
C124 C126 1.532(6) . ?
C124 H12F 0.9900 . ?
C124 H12G 0.9900 . ?
C125 H12H 0.9900 . ?
C125 H12I 0.9900 . ?
C126 H12J 0.9900 . ?
C126 H12K 0.9900 . ?
B1 C231 1.623(11) . ?
B1 C211 1.637(6) . ?
B1 C221 1.651(5) . ?
B1 C201 1.652(6) . ?
B1 C331 1.73(3) . ?
Cl1 C203 1.766(4) . ?
Cl2 C205 1.750(4) . ?
Cl3 C213 1.761(4) . ?
Cl4 C215 1.746(4) . ?
Cl7 C223 1.751(4) . ?
Cl8 C225 1.757(4) . ?
C201 C206 1.397(5) . ?
C201 C202 1.409(5) . ?
C202 C203 1.377(5) . ?
C202 H20A 0.9500 . ?
C203 C204 1.376(5) . ?
C204 C205 1.379(6) . ?
C204 H20B 0.9500 . ?
C205 C206 1.380(6) . ?
C206 H20C 0.9500 . ?
C211 C216 1.392(5) . ?
C211 C212 1.412(5) . ?
C212 C213 1.376(6) . ?
C212 H21B 0.9500 . ?
C213 C214 1.379(6) . ?
C214 C215 1.391(5) . ?
C214 H21C 0.9500 . ?
C215 C216 1.391(5) . ?
C216 H21D 0.9500 . ?
C221 C222 1.403(5) . ?
C221 C226 1.409(5) . ?
C222 C223 1.390(5) . ?
C222 H22C 0.9500 . ?
C223 C224 1.380(6) . ?
C224 C225 1.386(5) . ?
C224 H22D 0.9500 . ?
C225 C226 1.375(5) . ?
C226 H22E 0.9500 . ?
Cl5 C233 1.754(6) . ?
Cl6 C235 1.699(13) . ?
C231 C236 1.394(18) . ?
C231 C232 1.418(11) . ?
C232 C233 1.382(8) . ?
C232 H232 0.9500 . ?
C233 C234 1.383(9) . ?
C234 C235 1.446(10) . ?
C234 H234 0.9500 . ?
C235 C236 1.375(15) . ?
C236 H236 0.9500 . ?
C331 C336 1.39(5) . ?
C331 C332 1.41(3) . ?
C332 C333 1.37(2) . ?
C332 H332 0.9500 . ?
C333 C334 1.38(2) . ?
C333 Cl35 1.757(16) . ?
C334 C335 1.23(3) . ?
C334 H334 0.9500 . ?
C335 C336 1.44(4) . ?
C335 Cl36 1.91(4) . ?
C336 H336 0.89(15) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Pt1 P2 156.86(3) . . ?
P1 Pt1 Tl1 99.98(3) . . ?
P2 Pt1 Tl1 102.35(3) . . ?
Pt1 Tl1 Pt2 172.997(8) . . ?
C21 P1 C34 108.97(17) . . ?
C21 P1 C14 104.31(16) . . ?
C34 P1 C14 103.44(16) . . ?
C21 P1 Pt1 108.59(11) . . ?
C34 P1 Pt1 111.22(12) . . ?
C14 P1 Pt1 119.74(12) . . ?
P4 Pt2 P3 159.27(4) . . ?
P4 Pt2 Tl1 96.05(3) . . ?
P3 Pt2 Tl1 103.01(3) . . ?
C51 P2 C42 105.31(17) . . ?
C51 P2 C61 105.35(16) . . ?
C42 P2 C61 103.75(16) . . ?
C51 P2 Pt1 120.18(12) . . ?
C42 P2 Pt1 106.52(11) . . ?
C61 P2 Pt1 114.22(12) . . ?
C81 P3 C91 106.8(2) . . ?
C81 P3 C74 96.3(2) . . ?
C391 P3 C74 105.9(3) . . ?
C91 P3 C74 106.03(16) . . ?
C391 P3 C381 107.7(5) . . ?
C74 P3 C381 108.1(5) . . ?
C81 P3 Pt2 124.5(2) . . ?
C391 P3 Pt2 104.3(2) . . ?
C91 P3 Pt2 105.04(9) . . ?
C74 P3 Pt2 116.71(15) . . ?
C381 P3 Pt2 113.4(5) . . ?
C101 P4 C112 104.49(16) . . ?
C101 P4 C122 101.93(16) . . ?
C112 P4 C122 104.26(16) . . ?
C101 P4 Pt2 113.23(11) . . ?
C112 P4 Pt2 113.92(11) . . ?
C122 P4 Pt2 117.48(12) . . ?
C15 C14 C16 108.5(3) . . ?
C15 C14 P1 111.8(2) . . ?
C16 C14 P1 117.9(3) . . ?
C15 C14 H14A 105.9 . . ?
C16 C14 H14A 105.9 . . ?
P1 C14 H14A 105.9 . . ?
C19 C15 C14 111.9(3) . . ?
C19 C15 H15A 109.2 . . ?
C14 C15 H15A 109.2 . . ?
C19 C15 H15B 109.2 . . ?
C14 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C18 C16 C14 111.1(4) . . ?
C18 C16 H16A 109.4 . . ?
C14 C16 H16A 109.4 . . ?
C18 C16 H16B 109.4 . . ?
C14 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
C18 C17 C19 110.7(3) . . ?
C18 C17 H17A 109.5 . . ?
C19 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C19 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
C17 C18 C16 111.2(3) . . ?
C17 C18 H18A 109.4 . . ?
C16 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
C16 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C17 C19 C15 110.7(3) . . ?
C17 C19 H19A 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 108.1 . . ?
C24 C21 C26 110.8(3) . . ?
C24 C21 P1 114.9(2) . . ?
C26 C21 P1 114.1(2) . . ?
C24 C21 H21A 105.3 . . ?
C26 C21 H21A 105.3 . . ?
P1 C21 H21A 105.3 . . ?
C23 C22 C25 110.7(3) . . ?
C23 C22 H22A 109.5 . . ?
C25 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C25 C22 H22B 109.5 . . ?
H22A C22 H22B 108.1 . . ?
C22 C23 C26 110.5(3) . . ?
C22 C23 H23A 109.6 . . ?
C26 C23 H23A 109.6 . . ?
C22 C23 H23B 109.6 . . ?
C26 C23 H23B 109.6 . . ?
H23A C23 H23B 108.1 . . ?
C21 C24 C25 112.0(3) . . ?
C21 C24 H24A 109.2 . . ?
C25 C24 H24A 109.2 . . ?
C21 C24 H24B 109.2 . . ?
C25 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
C22 C25 C24 111.7(3) . . ?
C22 C25 H25A 109.3 . . ?
C24 C25 H25A 109.3 . . ?
C22 C25 H25B 109.3 . . ?
C24 C25 H25B 109.3 . . ?
H25A C25 H25B 107.9 . . ?
C23 C26 C21 110.5(3) . . ?
C23 C26 H26A 109.6 . . ?
C21 C26 H26A 109.6 . . ?
C23 C26 H26B 109.6 . . ?
C21 C26 H26B 109.6 . . ?
H26A C26 H26B 108.1 . . ?
C36 C31 C34 111.5(3) . . ?
C36 C31 H31A 109.3 . . ?
C34 C31 H31A 109.3 . . ?
C36 C31 H31B 109.3 . . ?
C34 C31 H31B 109.3 . . ?
H31A C31 H31B 108.0 . . ?
C35 C32 C33 111.3(3) . . ?
C35 C32 H32A 109.4 . . ?
C33 C32 H32A 109.4 . . ?
C35 C32 H32B 109.4 . . ?
C33 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C34 C33 C32 111.4(3) . . ?
C34 C33 H33A 109.3 . . ?
C32 C33 H33A 109.3 . . ?
C34 C33 H33B 109.3 . . ?
C32 C33 H33B 109.3 . . ?
H33A C33 H33B 108.0 . . ?
C33 C34 C31 109.1(3) . . ?
C33 C34 P1 112.5(2) . . ?
C31 C34 P1 108.9(3) . . ?
C33 C34 H34A 108.8 . . ?
C31 C34 H34A 108.8 . . ?
P1 C34 H34A 108.8 . . ?
C32 C35 C36 110.5(3) . . ?
C32 C35 H35A 109.5 . . ?
C36 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C35 C36 C31 110.8(3) . . ?
C35 C36 H36A 109.5 . . ?
C31 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 108.1 . . ?
C45 C41 C42 110.6(3) . . ?
C45 C41 H41A 109.5 . . ?
C42 C41 H41A 109.5 . . ?
C45 C41 H41B 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 108.1 . . ?
C41 C42 C43 109.4(3) . . ?
C41 C42 P2 110.9(2) . . ?
C43 C42 P2 118.1(3) . . ?
C41 C42 H42A 105.9 . . ?
C43 C42 H42A 105.9 . . ?
P2 C42 H42A 105.9 . . ?
C44 C43 C42 109.8(3) . . ?
C44 C43 H43A 109.7 . . ?
C42 C43 H43A 109.7 . . ?
C44 C43 H43B 109.7 . . ?
C42 C43 H43B 109.7 . . ?
H43A C43 H43B 108.2 . . ?
C46 C44 C43 112.3(3) . . ?
C46 C44 H44A 109.1 . . ?
C43 C44 H44A 109.1 . . ?
C46 C44 H44B 109.1 . . ?
C43 C44 H44B 109.1 . . ?
H44A C44 H44B 107.9 . . ?
C46 C45 C41 110.2(3) . . ?
C46 C45 H45A 109.6 . . ?
C41 C45 H45A 109.6 . . ?
C46 C45 H45B 109.6 . . ?
C41 C45 H45B 109.6 . . ?
H45A C45 H45B 108.1 . . ?
C44 C46 C45 111.6(3) . . ?
C44 C46 H46A 109.3 . . ?
C45 C46 H46A 109.3 . . ?
C44 C46 H46B 109.3 . . ?
C45 C46 H46B 109.3 . . ?
H46A C46 H46B 108.0 . . ?
C53 C51 C52 109.7(3) . . ?
C53 C51 P2 112.1(2) . . ?
C52 C51 P2 112.2(3) . . ?
C53 C51 H51A 107.6 . . ?
C52 C51 H51A 107.6 . . ?
P2 C51 H51A 107.6 . . ?
C51 C52 C55 110.2(3) . . ?
C51 C52 H52A 109.6 . . ?
C55 C52 H52A 109.6 . . ?
C51 C52 H52B 109.6 . . ?
C55 C52 H52B 109.6 . . ?
H52A C52 H52B 108.1 . . ?
C54 C53 C51 111.2(3) . . ?
C54 C53 H53A 109.4 . . ?
C51 C53 H53A 109.4 . . ?
C54 C53 H53B 109.4 . . ?
C51 C53 H53B 109.4 . . ?
H53A C53 H53B 108.0 . . ?
C56 C54 C53 110.8(3) . . ?
C56 C54 H54A 109.5 . . ?
C53 C54 H54A 109.5 . . ?
C56 C54 H54B 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 108.1 . . ?
C56 C55 C52 112.7(3) . . ?
C56 C55 H55A 109.1 . . ?
C52 C55 H55A 109.1 . . ?
C56 C55 H55B 109.1 . . ?
C52 C55 H55B 109.1 . . ?
H55A C55 H55B 107.8 . . ?
C55 C56 C54 111.1(3) . . ?
C55 C56 H56A 109.4 . . ?
C54 C56 H56A 109.4 . . ?
C55 C56 H56B 109.4 . . ?
C54 C56 H56B 109.4 . . ?
H56A C56 H56B 108.0 . . ?
C62 C61 C63 109.9(3) . . ?
C62 C61 P2 113.3(2) . . ?
C63 C61 P2 116.6(2) . . ?
C62 C61 H61A 105.3 . . ?
C63 C61 H61A 105.3 . . ?
P2 C61 H61A 105.3 . . ?
C64 C62 C61 110.5(3) . . ?
C64 C62 H62A 109.6 . . ?
C61 C62 H62A 109.6 . . ?
C64 C62 H62B 109.6 . . ?
C61 C62 H62B 109.6 . . ?
H62A C62 H62B 108.1 . . ?
C66 C63 C61 110.5(3) . . ?
C66 C63 H63A 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C66 C63 H63B 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 108.1 . . ?
C62 C64 C65 112.0(3) . . ?
C62 C64 H64A 109.2 . . ?
C65 C64 H64A 109.2 . . ?
C62 C64 H64B 109.2 . . ?
C65 C64 H64B 109.2 . . ?
H64A C64 H64B 107.9 . . ?
C66 C65 C64 111.6(3) . . ?
C66 C65 H65A 109.3 . . ?
C64 C65 H65A 109.3 . . ?
C66 C65 H65B 109.3 . . ?
C64 C65 H65B 109.3 . . ?
H65A C65 H65B 108.0 . . ?
C65 C66 C63 111.7(3) . . ?
C65 C66 H66A 109.3 . . ?
C63 C66 H66A 109.3 . . ?
C65 C66 H66B 109.3 . . ?
C63 C66 H66B 109.3 . . ?
H66A C66 H66B 107.9 . . ?
C72 C71 C74 113.6(4) . . ?
C72 C71 H71A 108.9 . . ?
C74 C71 H71A 108.9 . . ?
C72 C71 H71B 108.9 . . ?
C74 C71 H71B 108.9 . . ?
H71A C71 H71B 107.7 . . ?
C71 C72 C75 111.1(4) . . ?
C71 C72 H72A 109.4 . . ?
C75 C72 H72A 109.4 . . ?
C71 C72 H72B 109.4 . . ?
C75 C72 H72B 109.4 . . ?
H72A C72 H72B 108.0 . . ?
C76 C73 C74 114.4(4) . . ?
C76 C73 H73A 108.7 . . ?
C74 C73 H73A 108.7 . . ?
C76 C73 H73B 108.7 . . ?
C74 C73 H73B 108.7 . . ?
H73A C73 H73B 107.6 . . ?
C71 C74 C73 108.6(4) . . ?
C71 C74 P3 112.1(3) . . ?
C73 C74 P3 117.0(3) . . ?
C71 C74 H74A 106.1 . . ?
C73 C74 H74A 106.1 . . ?
P3 C74 H74A 106.1 . . ?
C76 C75 C72 109.7(4) . . ?
C76 C75 H75A 109.7 . . ?
C72 C75 H75A 109.7 . . ?
C76 C75 H75B 109.7 . . ?
C72 C75 H75B 109.7 . . ?
H75A C75 H75B 108.2 . . ?
C73 C76 C75 111.2(4) . . ?
C73 C76 H76A 109.4 . . ?
C75 C76 H76A 109.4 . . ?
C73 C76 H76B 109.4 . . ?
C75 C76 H76B 109.4 . . ?
H76A C76 H76B 108.0 . . ?
C82 C81 C86 110.4(5) . . ?
C82 C81 P3 112.6(4) . . ?
C86 C81 P3 112.8(4) . . ?
C82 C81 H81 106.9 . . ?
C86 C81 H81 106.9 . . ?
P3 C81 H81 106.9 . . ?
C83 C82 C81 113.4(5) . . ?
C83 C82 H82A 108.9 . . ?
C81 C82 H82A 108.9 . . ?
C83 C82 H82B 108.9 . . ?
C81 C82 H82B 108.9 . . ?
H82A C82 H82B 107.7 . . ?
C82 C83 C84 111.8(5) . . ?
C82 C83 H83A 109.3 . . ?
C84 C83 H83A 109.3 . . ?
C82 C83 H83B 109.3 . . ?
C84 C83 H83B 109.3 . . ?
H83A C83 H83B 107.9 . . ?
C85 C84 C83 111.7(5) . . ?
C85 C84 H84A 109.3 . . ?
C83 C84 H84A 109.3 . . ?
C85 C84 H84B 109.3 . . ?
C83 C84 H84B 109.3 . . ?
H84A C84 H84B 107.9 . . ?
C84 C85 C86 111.2(4) . . ?
C84 C85 H85A 109.4 . . ?
C86 C85 H85A 109.4 . . ?
C84 C85 H85B 109.4 . . ?
C86 C85 H85B 109.4 . . ?
H85A C85 H85B 108.0 . . ?
C85 C86 C81 112.5(4) . . ?
C85 C86 H86A 109.1 . . ?
C81 C86 H86A 109.1 . . ?
C85 C86 H86B 109.1 . . ?
C81 C86 H86B 109.1 . . ?
H86A C86 H86B 107.8 . . ?
C386 C381 C382 107.7(13) . . ?
C386 C381 P3 119.4(11) . . ?
C382 C381 P3 108.8(11) . . ?
C386 C381 H381 106.8 . . ?
C382 C381 H381 106.8 . . ?
P3 C381 H381 106.8 . . ?
C383 C382 C381 110.0(13) . . ?
C383 C382 H38A 109.7 . . ?
C381 C382 H38A 109.7 . . ?
C383 C382 H38B 109.7 . . ?
C381 C382 H38B 109.7 . . ?
H38A C382 H38B 108.2 . . ?
C384 C383 C382 114.2(14) . . ?
C384 C383 H38C 108.7 . . ?
C382 C383 H38C 108.7 . . ?
C384 C383 H38D 108.7 . . ?
C382 C383 H38D 108.7 . . ?
H38C C383 H38D 107.6 . . ?
C383 C384 C385 110.9(13) . . ?
C383 C384 H38E 109.5 . . ?
C385 C384 H38E 109.5 . . ?
C383 C384 H38F 109.5 . . ?
C385 C384 H38F 109.5 . . ?
H38E C384 H38F 108.0 . . ?
C386 C385 C384 111.3(12) . . ?
C386 C385 H38G 109.4 . . ?
C384 C385 H38G 109.4 . . ?
C386 C385 H38H 109.4 . . ?
C384 C385 H38H 109.4 . . ?
H38G C385 H38H 108.0 . . ?
C381 C386 C385 110.1(13) . . ?
C381 C386 H38I 109.6 . . ?
C385 C386 H38I 109.6 . . ?
C381 C386 H38J 109.6 . . ?
C385 C386 H38J 109.6 . . ?
H38I C386 H38J 108.2 . . ?
C96 C91 C92 114.9 . . ?
C96 C91 P3 110.92(8) . . ?
C92 C91 P3 117.45(8) . . ?
C96 C91 H91 103.9 . . ?
C92 C91 H91 103.9 . . ?
P3 C91 H91 103.9 . . ?
C91 C92 C93 110.8 . . ?
C91 C92 H92A 109.5 . . ?
C93 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
C93 C92 H92B 109.5 . . ?
H92A C92 H92B 108.1 . . ?
C94 C93 C92 111.1 . . ?
C94 C93 H93A 109.4 . . ?
C92 C93 H93A 109.4 . . ?
C94 C93 H93B 109.4 . . ?
C92 C93 H93B 109.4 . . ?
H93A C93 H93B 108.0 . . ?
C95 C94 C93 113.4 . . ?
C95 C94 H94A 108.9 . . ?
C93 C94 H94A 108.9 . . ?
C95 C94 H94B 108.9 . . ?
C93 C94 H94B 108.9 . . ?
H94A C94 H94B 107.7 . . ?
C94 C95 C96 109.4 . . ?
C94 C95 H95A 109.8 . . ?
C96 C95 H95A 109.8 . . ?
C94 C95 H95B 109.8 . . ?
C96 C95 H95B 109.8 . . ?
H95A C95 H95B 108.2 . . ?
C91 C96 C95 111.1 . . ?
C91 C96 H96A 109.4 . . ?
C95 C96 H96A 109.4 . . ?
C91 C96 H96B 109.4 . . ?
C95 C96 H96B 109.4 . . ?
H96A C96 H96B 108.0 . . ?
C392 C391 P3 135.0(2) . . ?
C392 C391 C396 106.2 . . ?
P3 C391 C396 101.3(2) . . ?
C392 C391 H391 103.6 . . ?
P3 C391 H391 103.6 . . ?
C396 C391 H391 103.6 . . ?
C391 C392 C393 127.6 . . ?
C391 C392 H39A 105.4 . . ?
C393 C392 H39A 105.4 . . ?
C391 C392 H39B 105.4 . . ?
C393 C392 H39B 105.4 . . ?
H39A C392 H39B 106.0 . . ?
C392 C393 C394 113.2 . . ?
C392 C393 H39C 108.9 . . ?
C394 C393 H39C 108.9 . . ?
C392 C393 H39D 108.9 . . ?
C394 C393 H39D 108.9 . . ?
H39C C393 H39D 107.8 . . ?
C395 C394 C393 105.5 . . ?
C395 C394 H39E 110.6 . . ?
C393 C394 H39E 110.6 . . ?
C395 C394 H39F 110.6 . . ?
C393 C394 H39F 110.6 . . ?
H39E C394 H39F 108.8 . . ?
C394 C395 C396 123.2 . . ?
C394 C395 H39G 106.5 . . ?
C396 C395 H39G 106.5 . . ?
C394 C395 H39H 106.5 . . ?
C396 C395 H39H 106.5 . . ?
H39G C395 H39H 106.5 . . ?
C395 C396 C391 110.7 . . ?
C395 C396 H39I 109.5 . . ?
C391 C396 H39I 109.5 . . ?
C395 C396 H39J 109.5 . . ?
C391 C396 H39J 109.5 . . ?
H39I C396 H39J 108.1 . . ?
C102 C101 C104 109.8(3) . . ?
C102 C101 P4 112.2(2) . . ?
C104 C101 P4 112.4(2) . . ?
C102 C101 H10A 107.4 . . ?
C104 C101 H10A 107.4 . . ?
P4 C101 H10A 107.4 . . ?
C103 C102 C101 111.9(3) . . ?
C103 C102 H10B 109.2 . . ?
C101 C102 H10B 109.2 . . ?
C103 C102 H10C 109.2 . . ?
C101 C102 H10C 109.2 . . ?
H10B C102 H10C 107.9 . . ?
C106 C103 C102 111.5(3) . . ?
C106 C103 H10D 109.3 . . ?
C102 C103 H10D 109.3 . . ?
C106 C103 H10E 109.3 . . ?
C102 C103 H10E 109.3 . . ?
H10D C103 H10E 108.0 . . ?
C105 C104 C101 110.2(3) . . ?
C105 C104 H10F 109.6 . . ?
C101 C104 H10F 109.6 . . ?
C105 C104 H10G 109.6 . . ?
C101 C104 H10G 109.6 . . ?
H10F C104 H10G 108.1 . . ?
C106 C105 C104 111.9(3) . . ?
C106 C105 H10H 109.2 . . ?
C104 C105 H10H 109.2 . . ?
C106 C105 H10I 109.2 . . ?
C104 C105 H10I 109.2 . . ?
H10H C105 H10I 107.9 . . ?
C105 C106 C103 110.7(3) . . ?
C105 C106 H10J 109.5 . . ?
C103 C106 H10J 109.5 . . ?
C105 C106 H10K 109.5 . . ?
C103 C106 H10K 109.5 . . ?
H10J C106 H10K 108.1 . . ?
C116 C111 C112 110.4(3) . . ?
C116 C111 H11A 109.6 . . ?
C112 C111 H11A 109.6 . . ?
C116 C111 H11B 109.6 . . ?
C112 C111 H11B 109.6 . . ?
H11A C111 H11B 108.1 . . ?
C115 C112 C111 110.7(3) . . ?
C115 C112 P4 114.1(2) . . ?
C111 C112 P4 114.4(2) . . ?
C115 C112 H11C 105.5 . . ?
C111 C112 H11C 105.5 . . ?
P4 C112 H11C 105.5 . . ?
C114 C113 C115 110.8(3) . . ?
C114 C113 H11D 109.5 . . ?
C115 C113 H11D 109.5 . . ?
C114 C113 H11E 109.5 . . ?
C115 C113 H11E 109.5 . . ?
H11D C113 H11E 108.1 . . ?
C113 C114 C116 111.0(3) . . ?
C113 C114 H11F 109.4 . . ?
C116 C114 H11F 109.4 . . ?
C113 C114 H11G 109.4 . . ?
C116 C114 H11G 109.4 . . ?
H11F C114 H11G 108.0 . . ?
C113 C115 C112 110.9(3) . . ?
C113 C115 H11H 109.5 . . ?
C112 C115 H11H 109.5 . . ?
C113 C115 H11I 109.5 . . ?
C112 C115 H11I 109.5 . . ?
H11H C115 H11I 108.0 . . ?
C114 C116 C111 111.7(3) . . ?
C114 C116 H11J 109.3 . . ?
C111 C116 H11J 109.3 . . ?
C114 C116 H11K 109.3 . . ?
C111 C116 H11K 109.3 . . ?
H11J C116 H11K 107.9 . . ?
C125 C121 C122 111.8(3) . . ?
C125 C121 H12A 109.3 . . ?
C122 C121 H12A 109.3 . . ?
C125 C121 H12B 109.3 . . ?
C122 C121 H12B 109.3 . . ?
H12A C121 H12B 107.9 . . ?
C123 C122 C121 109.1(3) . . ?
C123 C122 P4 114.9(2) . . ?
C121 C122 P4 109.3(2) . . ?
C123 C122 H12C 107.7 . . ?
C121 C122 H12C 107.7 . . ?
P4 C122 H12C 107.7 . . ?
C126 C123 C122 111.7(3) . . ?
C126 C123 H12D 109.3 . . ?
C122 C123 H12D 109.3 . . ?
C126 C123 H12E 109.3 . . ?
C122 C123 H12E 109.3 . . ?
H12D C123 H12E 107.9 . . ?
C125 C124 C126 111.0(3) . . ?
C125 C124 H12F 109.4 . . ?
C126 C124 H12F 109.4 . . ?
C125 C124 H12G 109.4 . . ?
C126 C124 H12G 109.4 . . ?
H12F C124 H12G 108.0 . . ?
C124 C125 C121 111.5(3) . . ?
C124 C125 H12H 109.3 . . ?
C121 C125 H12H 109.3 . . ?
C124 C125 H12I 109.3 . . ?
C121 C125 H12I 109.3 . . ?
H12H C125 H12I 108.0 . . ?
C124 C126 C123 111.6(3) . . ?
C124 C126 H12J 109.3 . . ?
C123 C126 H12J 109.3 . . ?
C124 C126 H12K 109.3 . . ?
C123 C126 H12K 109.3 . . ?
H12J C126 H12K 108.0 . . ?
C231 B1 C211 105.1(4) . . ?
C231 B1 C221 112.8(4) . . ?
C211 B1 C221 112.7(3) . . ?
C231 B1 C201 109.1(4) . . ?
C211 B1 C201 111.8(3) . . ?
C221 B1 C201 105.4(3) . . ?
C211 B1 C331 109.3(10) . . ?
C221 B1 C331 103.5(8) . . ?
C201 B1 C331 113.9(10) . . ?
C206 C201 C202 116.2(3) . . ?
C206 C201 B1 125.2(3) . . ?
C202 C201 B1 118.6(3) . . ?
C203 C202 C201 121.0(3) . . ?
C203 C202 H20A 119.5 . . ?
C201 C202 H20A 119.5 . . ?
C204 C203 C202 122.6(4) . . ?
C204 C203 Cl1 118.4(3) . . ?
C202 C203 Cl1 119.1(3) . . ?
C203 C204 C205 116.5(4) . . ?
C203 C204 H20B 121.7 . . ?
C205 C204 H20B 121.7 . . ?
C204 C205 C206 122.5(4) . . ?
C204 C205 Cl2 117.8(3) . . ?
C206 C205 Cl2 119.6(3) . . ?
C205 C206 C201 121.1(4) . . ?
C205 C206 H20C 119.4 . . ?
C201 C206 H20C 119.4 . . ?
C216 C211 C212 116.5(3) . . ?
C216 C211 B1 124.5(3) . . ?
C212 C211 B1 119.0(3) . . ?
C213 C212 C211 121.0(4) . . ?
C213 C212 H21B 119.5 . . ?
C211 C212 H21B 119.5 . . ?
C212 C213 C214 122.8(4) . . ?
C212 C213 Cl3 119.2(3) . . ?
C214 C213 Cl3 118.0(3) . . ?
C213 C214 C215 116.3(4) . . ?
C213 C214 H21C 121.8 . . ?
C215 C214 H21C 121.8 . . ?
C214 C215 C216 122.1(4) . . ?
C214 C215 Cl4 118.7(3) . . ?
C216 C215 Cl4 119.2(3) . . ?
C215 C216 C211 121.2(3) . . ?
C215 C216 H21D 119.4 . . ?
C211 C216 H21D 119.4 . . ?
C222 C221 C226 116.8(3) . . ?
C222 C221 B1 123.2(3) . . ?
C226 C221 B1 119.8(3) . . ?
C223 C222 C221 120.7(3) . . ?
C223 C222 H22C 119.7 . . ?
C221 C222 H22C 119.7 . . ?
C224 C223 C222 122.2(3) . . ?
C224 C223 Cl7 118.7(3) . . ?
C222 C223 Cl7 119.0(3) . . ?
C223 C224 C225 116.9(3) . . ?
C223 C224 H22D 121.6 . . ?
C225 C224 H22D 121.6 . . ?
C226 C225 C224 122.5(3) . . ?
C226 C225 Cl8 119.7(3) . . ?
C224 C225 Cl8 117.8(3) . . ?
C225 C226 C221 120.8(3) . . ?
C225 C226 H22E 119.6 . . ?
C221 C226 H22E 119.6 . . ?
C236 C231 C232 117.3(8) . . ?
C236 C231 B1 124.4(8) . . ?
C232 C231 B1 118.3(8) . . ?
C233 C232 C231 120.5(7) . . ?
C233 C232 H232 119.7 . . ?
C231 C232 H232 119.7 . . ?
C232 C233 C234 122.8(5) . . ?
C232 C233 Cl5 119.7(5) . . ?
C234 C233 Cl5 117.5(4) . . ?
C233 C234 C235 116.7(6) . . ?
C233 C234 H234 121.6 . . ?
C235 C234 H234 121.6 . . ?
C236 C235 C234 120.1(9) . . ?
C236 C235 Cl6 121.5(8) . . ?
C234 C235 Cl6 118.1(6) . . ?
C235 C236 C231 122.5(10) . . ?
C235 C236 H236 118.8 . . ?
C231 C236 H236 118.8 . . ?
C336 C331 C332 113(2) . . ?
C336 C331 B1 122.8(19) . . ?
C332 C331 B1 124(2) . . ?
C333 C332 C331 121.8(18) . . ?
C333 C332 H332 119.1 . . ?
C331 C332 H332 119.1 . . ?
C332 C333 C334 123.3(15) . . ?
C332 C333 Cl35 119.2(12) . . ?
C334 C333 Cl35 117.5(12) . . ?
C335 C334 C333 114.1(19) . . ?
C335 C334 H334 123.0 . . ?
C333 C334 H334 123.0 . . ?
C334 C335 C336 127(3) . . ?
C334 C335 Cl36 120(2) . . ?
C336 C335 Cl36 110(2) . . ?
C331 C336 C335 119(3) . . ?
C331 C336 H336 128(10) . . ?
C335 C336 H336 114(10) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C21 P1 C14 C15 43.6(3) . . . . ?
C34 P1 C14 C15 157.6(3) . . . . ?
Pt1 P1 C14 C15 -78.0(3) . . . . ?
C21 P1 C14 C16 -83.2(3) . . . . ?
C34 P1 C14 C16 30.8(3) . . . . ?
Pt1 P1 C14 C16 155.2(2) . . . . ?
C16 C14 C15 C19 -57.3(4) . . . . ?
P1 C14 C15 C19 171.0(3) . . . . ?
C15 C14 C16 C18 56.7(4) . . . . ?
P1 C14 C16 C18 -175.0(3) . . . . ?
C19 C17 C18 C16 56.2(5) . . . . ?
C14 C16 C18 C17 -57.2(5) . . . . ?
C18 C17 C19 C15 -56.1(4) . . . . ?
C14 C15 C19 C17 57.7(4) . . . . ?
C34 P1 C21 C24 -38.5(3) . . . . ?
C14 P1 C21 C24 71.4(3) . . . . ?
Pt1 P1 C21 C24 -159.8(2) . . . . ?
C34 P1 C21 C26 91.1(3) . . . . ?
C14 P1 C21 C26 -159.0(3) . . . . ?
Pt1 P1 C21 C26 -30.2(3) . . . . ?
C25 C22 C23 C26 -58.4(4) . . . . ?
C26 C21 C24 C25 53.3(4) . . . . ?
P1 C21 C24 C25 -175.6(3) . . . . ?
C23 C22 C25 C24 55.5(4) . . . . ?
C21 C24 C25 C22 -53.2(4) . . . . ?
C22 C23 C26 C21 58.8(4) . . . . ?
C24 C21 C26 C23 -56.0(4) . . . . ?
P1 C21 C26 C23 172.4(3) . . . . ?
C35 C32 C33 C34 57.1(4) . . . . ?
C32 C33 C34 C31 -56.4(4) . . . . ?
C32 C33 C34 P1 -177.4(3) . . . . ?
C36 C31 C34 C33 56.8(4) . . . . ?
C36 C31 C34 P1 179.9(3) . . . . ?
C21 P1 C34 C33 -62.6(3) . . . . ?
C14 P1 C34 C33 -173.2(3) . . . . ?
Pt1 P1 C34 C33 57.0(3) . . . . ?
C21 P1 C34 C31 176.2(2) . . . . ?
C14 P1 C34 C31 65.7(3) . . . . ?
Pt1 P1 C34 C31 -64.1(3) . . . . ?
C33 C32 C35 C36 -56.1(5) . . . . ?
C32 C35 C36 C31 56.1(5) . . . . ?
C34 C31 C36 C35 -57.2(4) . . . . ?
C45 C41 C42 C43 -60.6(4) . . . . ?
C45 C41 C42 P2 167.4(2) . . . . ?
C51 P2 C42 C41 176.1(2) . . . . ?
C61 P2 C42 C41 65.7(3) . . . . ?
Pt1 P2 C42 C41 -55.2(2) . . . . ?
C51 P2 C42 C43 48.8(3) . . . . ?
C61 P2 C42 C43 -61.6(3) . . . . ?
Pt1 P2 C42 C43 177.5(2) . . . . ?
C41 C42 C43 C44 58.2(4) . . . . ?
P2 C42 C43 C44 -173.7(3) . . . . ?
C42 C43 C44 C46 -55.5(4) . . . . ?
C42 C41 C45 C46 58.5(4) . . . . ?
C43 C44 C46 C45 53.8(5) . . . . ?
C41 C45 C46 C44 -54.6(4) . . . . ?
C42 P2 C51 C53 -176.1(2) . . . . ?
C61 P2 C51 C53 -66.8(3) . . . . ?
Pt1 P2 C51 C53 63.8(3) . . . . ?
C42 P2 C51 C52 59.9(3) . . . . ?
C61 P2 C51 C52 169.2(3) . . . . ?
Pt1 P2 C51 C52 -60.1(3) . . . . ?
C53 C51 C52 C55 56.5(4) . . . . ?
P2 C51 C52 C55 -178.2(3) . . . . ?
C52 C51 C53 C54 -58.8(4) . . . . ?
P2 C51 C53 C54 175.9(2) . . . . ?
C51 C53 C54 C56 57.9(4) . . . . ?
C51 C52 C55 C56 -55.1(4) . . . . ?
C52 C55 C56 C54 54.0(4) . . . . ?
C53 C54 C56 C55 -54.7(4) . . . . ?
C51 P2 C61 C62 100.2(3) . . . . ?
C42 P2 C61 C62 -149.3(3) . . . . ?
Pt1 P2 C61 C62 -33.8(3) . . . . ?
C51 P2 C61 C63 -28.8(3) . . . . ?
C42 P2 C61 C63 81.6(3) . . . . ?
Pt1 P2 C61 C63 -162.9(2) . . . . ?
C63 C61 C62 C64 -57.9(4) . . . . ?
P2 C61 C62 C64 169.7(3) . . . . ?
C62 C61 C63 C66 58.2(4) . . . . ?
P2 C61 C63 C66 -171.1(3) . . . . ?
C61 C62 C64 C65 55.9(5) . . . . ?
C62 C64 C65 C66 -53.4(5) . . . . ?
C64 C65 C66 C63 53.6(5) . . . . ?
C61 C63 C66 C65 -56.2(5) . . . . ?
C74 C71 C72 C75 56.2(5) . . . . ?
C72 C71 C74 C73 -51.9(5) . . . . ?
C72 C71 C74 P3 78.9(4) . . . . ?
C76 C73 C74 C71 52.2(5) . . . . ?
C76 C73 C74 P3 -75.9(5) . . . . ?
C81 P3 C74 C71 94.7(4) . . . . ?
C391 P3 C74 C71 -154.8(4) . . . . ?
C91 P3 C74 C71 -155.8(3) . . . . ?
C381 P3 C74 C71 90.0(6) . . . . ?
Pt2 P3 C74 C71 -39.2(4) . . . . ?
C81 P3 C74 C73 -138.9(4) . . . . ?
C391 P3 C74 C73 -28.3(5) . . . . ?
C91 P3 C74 C73 -29.4(4) . . . . ?
C381 P3 C74 C73 -143.6(6) . . . . ?
Pt2 P3 C74 C73 87.2(4) . . . . ?
C71 C72 C75 C76 -56.4(5) . . . . ?
C74 C73 C76 C75 -55.9(5) . . . . ?
C72 C75 C76 C73 56.3(5) . . . . ?
C391 P3 C81 C82 -174.1(4) . . . . ?
C91 P3 C81 C82 -174.0(3) . . . . ?
C74 P3 C81 C82 -65.1(4) . . . . ?
C381 P3 C81 C82 94(3) . . . . ?
Pt2 P3 C81 C82 63.5(4) . . . . ?
C391 P3 C81 C86 60.2(5) . . . . ?
C91 P3 C81 C86 60.3(4) . . . . ?
C74 P3 C81 C86 169.2(4) . . . . ?
C381 P3 C81 C86 -32(3) . . . . ?
Pt2 P3 C81 C86 -62.1(5) . . . . ?
C86 C81 C82 C83 -51.4(6) . . . . ?
P3 C81 C82 C83 -178.4(4) . . . . ?
C81 C82 C83 C84 52.6(7) . . . . ?
C82 C83 C84 C85 -54.2(7) . . . . ?
C83 C84 C85 C86 55.6(6) . . . . ?
C84 C85 C86 C81 -55.5(6) . . . . ?
C82 C81 C86 C85 52.6(6) . . . . ?
P3 C81 C86 C85 179.4(4) . . . . ?
C386 C381 C382 C383 55.4(17) . . . . ?
P3 C381 C382 C383 -173.8(12) . . . . ?
C381 C382 C383 C384 -53.4(19) . . . . ?
C382 C383 C384 C385 52.6(18) . . . . ?
C383 C384 C385 C386 -56.3(17) . . . . ?
C382 C381 C386 C385 -60.7(16) . . . . ?
P3 C381 C386 C385 174.7(10) . . . . ?
C384 C385 C386 C381 61.6(16) . . . . ?
C81 P3 C91 C96 -94.2(2) . . . . ?
C391 P3 C91 C96 80(15) . . . . ?
C74 P3 C91 C96 163.89(16) . . . . ?
C381 P3 C91 C96 -81.0(5) . . . . ?
Pt2 P3 C91 C96 39.74(7) . . . . ?
C81 P3 C91 C92 40.8(2) . . . . ?
C391 P3 C91 C92 -145(16) . . . . ?
C74 P3 C91 C92 -61.12(18) . . . . ?
C381 P3 C91 C92 54.0(5) . . . . ?
Pt2 P3 C91 C92 174.73(3) . . . . ?
C96 C91 C92 C93 -52.0 . . . . ?
P3 C91 C92 C93 174.79(10) . . . . ?
C91 C92 C93 C94 51.4 . . . . ?
C92 C93 C94 C95 -57.2 . . . . ?
C93 C94 C95 C96 56.5 . . . . ?
C92 C91 C96 C95 52.3 . . . . ?
P3 C91 C96 C95 -171.48(9) . . . . ?
C94 C95 C96 C91 -53.5 . . . . ?
C81 P3 C391 C392 179.9(2) . . . . ?
C91 P3 C391 C392 174(100) . . . . ?
C74 P3 C391 C392 77.7(3) . . . . ?
C381 P3 C391 C392 -166.9(5) . . . . ?
Pt2 P3 C391 C392 -46.1(3) . . . . ?
C81 P3 C391 C396 -53.0(2) . . . . ?
C91 P3 C391 C396 -59(15) . . . . ?
C74 P3 C391 C396 -155.23(17) . . . . ?
C381 P3 C391 C396 -39.8(5) . . . . ?
Pt2 P3 C391 C396 81.05(9) . . . . ?
P3 C391 C392 C393 171.6(3) . . . . ?
C396 C391 C392 C393 46.1 . . . . ?
C391 C392 C393 C394 -54.4 . . . . ?
C392 C393 C394 C395 43.2 . . . . ?
C393 C394 C395 C396 -48.4 . . . . ?
C394 C395 C396 C391 44.9 . . . . ?
C112 P4 C101 C102 69.4(3) . . . . ?
C122 P4 C101 C102 177.8(2) . . . . ?
Pt2 P4 C101 C102 -55.1(3) . . . . ?
C112 P4 C101 C104 -166.2(2) . . . . ?
C122 P4 C101 C104 -57.9(3) . . . . ?
Pt2 P4 C101 C104 69.3(3) . . . . ?
C104 C101 C102 C103 55.8(4) . . . . ?
P4 C101 C102 C103 -178.4(2) . . . . ?
C101 C102 C103 C106 -54.9(4) . . . . ?
C102 C101 C104 C105 -56.7(4) . . . . ?
P4 C101 C104 C105 177.7(2) . . . . ?
C101 C104 C105 C106 58.0(4) . . . . ?
C104 C105 C106 C103 -56.4(4) . . . . ?
C102 C103 C106 C105 54.3(4) . . . . ?
C116 C111 C112 C115 55.7(4) . . . . ?
C116 C111 C112 P4 -173.6(3) . . . . ?
C101 P4 C112 C115 36.6(3) . . . . ?
C122 P4 C112 C115 -70.0(3) . . . . ?
Pt2 P4 C112 C115 160.7(2) . . . . ?
C101 P4 C112 C111 -92.3(3) . . . . ?
C122 P4 C112 C111 161.0(3) . . . . ?
Pt2 P4 C112 C111 31.7(3) . . . . ?
C115 C113 C114 C116 -56.5(4) . . . . ?
C114 C113 C115 C112 57.2(4) . . . . ?
C111 C112 C115 C113 -57.0(4) . . . . ?
P4 C112 C115 C113 172.1(3) . . . . ?
C113 C114 C116 C111 55.9(5) . . . . ?
C112 C111 C116 C114 -55.4(4) . . . . ?
C125 C121 C122 C123 55.9(4) . . . . ?
C125 C121 C122 P4 -177.7(3) . . . . ?
C101 P4 C122 C123 -141.0(3) . . . . ?
C112 P4 C122 C123 -32.5(3) . . . . ?
Pt2 P4 C122 C123 94.6(3) . . . . ?
C101 P4 C122 C121 95.9(3) . . . . ?
C112 P4 C122 C121 -155.6(2) . . . . ?
Pt2 P4 C122 C121 -28.4(3) . . . . ?
C121 C122 C123 C126 -55.8(4) . . . . ?
P4 C122 C123 C126 -178.9(3) . . . . ?
C126 C124 C125 C121 55.1(5) . . . . ?
C122 C121 C125 C124 -56.4(4) . . . . ?
C125 C124 C126 C123 -55.2(5) . . . . ?
C122 C123 C126 C124 56.4(5) . . . . ?
C231 B1 C201 C206 111.5(5) . . . . ?
C211 B1 C201 C206 -4.3(5) . . . . ?
C221 B1 C201 C206 -127.1(4) . . . . ?
C331 B1 C201 C206 120.1(10) . . . . ?
C231 B1 C201 C202 -66.6(5) . . . . ?
C211 B1 C201 C202 177.6(3) . . . . ?
C221 B1 C201 C202 54.8(4) . . . . ?
C331 B1 C201 C202 -58.0(10) . . . . ?
C206 C201 C202 C203 -4.2(5) . . . . ?
B1 C201 C202 C203 174.1(3) . . . . ?
C201 C202 C203 C204 3.5(6) . . . . ?
C201 C202 C203 Cl1 -175.5(3) . . . . ?
C202 C203 C204 C205 -0.3(6) . . . . ?
Cl1 C203 C204 C205 178.7(3) . . . . ?
C203 C204 C205 C206 -2.1(6) . . . . ?
C203 C204 C205 Cl2 -179.5(3) . . . . ?
C204 C205 C206 C201 1.3(6) . . . . ?
Cl2 C205 C206 C201 178.6(3) . . . . ?
C202 C201 C206 C205 1.9(5) . . . . ?
B1 C201 C206 C205 -176.2(3) . . . . ?
C231 B1 C211 C216 120.4(5) . . . . ?
C221 B1 C211 C216 -2.8(5) . . . . ?
C201 B1 C211 C216 -121.3(4) . . . . ?
C331 B1 C211 C216 111.7(9) . . . . ?
C231 B1 C211 C212 -56.3(5) . . . . ?
C221 B1 C211 C212 -179.6(3) . . . . ?
C201 B1 C211 C212 61.9(4) . . . . ?
C331 B1 C211 C212 -65.0(9) . . . . ?
C216 C211 C212 C213 0.5(6) . . . . ?
B1 C211 C212 C213 177.5(4) . . . . ?
C211 C212 C213 C214 -1.4(6) . . . . ?
C211 C212 C213 Cl3 177.9(3) . . . . ?
C212 C213 C214 C215 1.4(6) . . . . ?
Cl3 C213 C214 C215 -177.9(3) . . . . ?
C213 C214 C215 C216 -0.5(5) . . . . ?
C213 C214 C215 Cl4 178.1(3) . . . . ?
C214 C215 C216 C211 -0.4(6) . . . . ?
Cl4 C215 C216 C211 -179.0(3) . . . . ?
C212 C211 C216 C215 0.4(5) . . . . ?
B1 C211 C216 C215 -176.4(3) . . . . ?
C231 B1 C221 C222 -0.7(6) . . . . ?
C211 B1 C221 C222 118.1(4) . . . . ?
C201 B1 C221 C222 -119.7(4) . . . . ?
C331 B1 C221 C222 0.1(11) . . . . ?
C231 B1 C221 C226 174.3(5) . . . . ?
C211 B1 C221 C226 -66.9(4) . . . . ?
C201 B1 C221 C226 55.2(4) . . . . ?
C331 B1 C221 C226 175.1(11) . . . . ?
C226 C221 C222 C223 -2.0(5) . . . . ?
B1 C221 C222 C223 173.1(3) . . . . ?
C221 C222 C223 C224 0.3(6) . . . . ?
C221 C222 C223 Cl7 -179.3(3) . . . . ?
C222 C223 C224 C225 2.2(5) . . . . ?
Cl7 C223 C224 C225 -178.3(3) . . . . ?
C223 C224 C225 C226 -3.0(5) . . . . ?
C223 C224 C225 Cl8 176.7(3) . . . . ?
C224 C225 C226 C221 1.3(6) . . . . ?
Cl8 C225 C226 C221 -178.3(3) . . . . ?
C222 C221 C226 C225 1.2(5) . . . . ?
B1 C221 C226 C225 -174.1(3) . . . . ?
C211 B1 C231 C236 141.6(8) . . . . ?
C221 B1 C231 C236 -95.2(9) . . . . ?
C201 B1 C231 C236 21.6(9) . . . . ?
C331 B1 C231 C236 -100(8) . . . . ?
C211 B1 C231 C232 -40.9(6) . . . . ?
C221 B1 C231 C232 82.3(7) . . . . ?
C201 B1 C231 C232 -160.9(5) . . . . ?
C331 B1 C231 C232 77(8) . . . . ?
C236 C231 C232 C233 0.0(10) . . . . ?
B1 C231 C232 C233 -177.7(5) . . . . ?
C231 C232 C233 C234 0.4(9) . . . . ?
C231 C232 C233 Cl5 179.2(5) . . . . ?
C232 C233 C234 C235 1.3(10) . . . . ?
Cl5 C233 C234 C235 -177.6(5) . . . . ?
C233 C234 C235 C236 -3.4(12) . . . . ?
C233 C234 C235 Cl6 -177.7(7) . . . . ?
C234 C235 C236 C231 4.0(16) . . . . ?
Cl6 C235 C236 C231 178.1(10) . . . . ?
C232 C231 C236 C235 -2.3(15) . . . . ?
B1 C231 C236 C235 175.3(9) . . . . ?
C231 B1 C331 C336 66(8) . . . . ?
C211 B1 C331 C336 130(2) . . . . ?
C221 B1 C331 C336 -109(2) . . . . ?
C201 B1 C331 C336 5(3) . . . . ?
C231 B1 C331 C332 -112(9) . . . . ?
C211 B1 C331 C332 -48(2) . . . . ?
C221 B1 C331 C332 72(2) . . . . ?
C201 B1 C331 C332 -173.6(16) . . . . ?
C336 C331 C332 C333 -2(3) . . . . ?
B1 C331 C332 C333 176.5(15) . . . . ?
C331 C332 C333 C334 5(3) . . . . ?
C331 C332 C333 Cl35 -178.1(15) . . . . ?
C332 C333 C334 C335 -10(3) . . . . ?
Cl35 C333 C334 C335 172.4(18) . . . . ?
C333 C334 C335 C336 14(4) . . . . ?
C333 C334 C335 Cl36 171.6(17) . . . . ?
C332 C331 C336 C335 5(4) . . . . ?
B1 C331 C336 C335 -174(2) . . . . ?
C334 C335 C336 C331 -12(5) . . . . ?
Cl36 C335 C336 C331 -171(3) . . . . ?

_refine_diff_density_max         2.522
_refine_diff_density_min         -1.725
_refine_diff_density_rms         0.112

_shelxl_version_number           2014-2



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 0.500 0.000 0.000 41 2 ' '
2 0.620 0.226 0.208 7 0 ' '
3 0.620 0.274 0.708 7 0 ' '
4 0.500 0.500 0.500 41 2 ' '
5 0.380 0.726 0.292 7 0 ' '
6 0.380 0.774 0.792 7 0 ' '
_platon_squeeze_details          
;
;
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1027226'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_5


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
?
;
_chemical_name_common            
;
?
;
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H53 Ag B Cl8 F Fe2 O6 P4'

_chemical_formula_sum            'C48 H53 Ag B Cl8 F Fe2 O6 P4'
_chemical_formula_weight         1382.76

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca
_symmetry_space_group_name_Hall  '-P 2ac 2ab'

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

_cell_length_a                   18.930(5)
_cell_length_b                   23.904(3)
_cell_length_c                   26.047(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     11786(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.559
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5584
_exptl_absorpt_coefficient_mu    1.333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6138
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'

_exptl_special_details           
; 
 The crystal was immersed in a film of perfluoropolyether oil, mounted
on a a glass fiber and transferred to stream of cold nitrogen. 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'ImS micro-focus sealed X-ray tube'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            77629
_diffrn_reflns_av_R_equivalents  0.0704
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         26.80
_reflns_number_total             12550
_reflns_number_gt                9400
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 ver. 2012.4-3 (Bruker AXS)'
_computing_cell_refinement       'Saint+ ver. 8.18C (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 8.18C (Bruker AXS)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_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 Uii displacement parameters of atoms XXX and YYY were restrained with 
 ISOR keyword to approximate isotropic behavior. 
;

_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)+(0.0263P)²+6.3431P] 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         12550
_refine_ls_number_parameters     692
_refine_ls_number_restraints     450
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0330
_refine_ls_wR_factor_ref         0.0677
_refine_ls_wR_factor_gt          0.0603
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.267689(11) 0.649235(7) 0.578751(7) 0.01531(5) Uani 1 1 d U A .
F1 F -0.00580(11) 0.85123(8) 0.78023(7) 0.0491(5) Uani 1 1 d U . .
Cl1 Cl 0.36834(4) 0.77220(3) 0.83948(2) 0.02239(15) Uani 1 1 d U . .
B1 B 0.26445(16) 0.56690(11) 0.86737(10) 0.0130(6) Uani 1 1 d U . .
P1 P 0.40764(4) 0.70944(3) 0.65589(2) 0.02252(17) Uani 1 1 d U A .
Fe1 Fe 0.39312(2) 0.627352(15) 0.616963(13) 0.01628(9) Uani 1 1 d U . .
O1 O 0.29196(12) 0.59957(11) 0.69882(8) 0.0481(7) Uani 1 1 d U . .
C1 C 0.32992(16) 0.61031(12) 0.66542(11) 0.0282(7) Uani 1 1 d U A .
Fe2 Fe 0.14555(2) 0.670430(14) 0.534777(12) 0.01210(8) Uani 1 1 d U . .
Cl2 Cl 0.12467(4) 0.71452(3) 0.74808(3) 0.03199(18) Uani 1 1 d U . .
O2 O 0.53789(11) 0.60266(9) 0.64809(7) 0.0326(5) Uani 1 1 d U . .
C2 C 0.48033(17) 0.61176(12) 0.63672(9) 0.0222(6) Uani 1 1 d U A .
O3 O 0.41635(11) 0.67396(8) 0.51398(7) 0.0253(4) Uani 1 1 d U . .
P3 P 0.20495(4) 0.70065(3) 0.46515(2) 0.01500(14) Uani 1 1 d U A .
Cl3 Cl 0.16125(4) 0.45519(3) 0.70625(2) 0.02279(15) Uani 1 1 d U . .
C3 C 0.40361(14) 0.65668(10) 0.55424(10) 0.0173(6) Uani 1 1 d U A .
Cl4 Cl 0.07673(4) 0.40119(3) 0.89778(2) 0.02646(16) Uani 1 1 d U . .
P4 P 0.07858(4) 0.63785(3) 0.59842(2) 0.01706(15) Uani 1 1 d U A .
O4 O 0.17306(11) 0.55235(7) 0.51089(7) 0.0269(5) Uani 1 1 d U . .
C4 C 0.16495(15) 0.59919(11) 0.52026(9) 0.0176(6) Uani 1 1 d U A .
O5 O 0.01120(11) 0.70363(8) 0.48892(7) 0.0291(5) Uani 1 1 d U . .
Cl5 Cl 0.08252(4) 0.64188(3) 1.00749(2) 0.02769(16) Uani 1 1 d U . .
C5 C 0.06478(15) 0.69068(11) 0.50571(9) 0.0185(6) Uani 1 1 d U A .
O6 O 0.18751(11) 0.76823(7) 0.59556(7) 0.0277(5) Uani 1 1 d U . .
Cl6 Cl 0.35001(4) 0.59608(3) 1.06352(3) 0.03365(18) Uani 1 1 d U . .
C6 C 0.17370(14) 0.72831(11) 0.57252(9) 0.0171(6) Uani 1 1 d U A .
Cl8 Cl 0.49227(4) 0.54142(3) 0.74769(2) 0.02311(15) Uani 1 1 d U . .
Cl7 Cl 0.45722(4) 0.41144(3) 0.91440(2) 0.02373(15) Uani 1 1 d U . .
P2 P 0.3974(2) 0.54204(15) 0.57805(13) 0.0167(6) Uani 0.468(5) 1 d PU A 1
C15 C 0.3305(5) 0.5277(5) 0.5298(5) 0.032(3) Uani 0.468(5) 1 d PU A 1
H15A H 0.3313 0.5572 0.5037 0.048 Uiso 0.468(5) 1 calc PR A 1
H15B H 0.2839 0.5265 0.5461 0.048 Uiso 0.468(5) 1 calc PR A 1
H15C H 0.3403 0.4915 0.5136 0.048 Uiso 0.468(5) 1 calc PR A 1
C70 C 0.3902(4) 0.4842(2) 0.6223(2) 0.0335(19) Uani 0.468(5) 1 d PU A 1
H70A H 0.3928 0.4489 0.6033 0.050 Uiso 0.468(5) 1 calc PR A 1
H70B H 0.3448 0.4864 0.6404 0.050 Uiso 0.468(5) 1 calc PR A 1
H70C H 0.4288 0.4860 0.6472 0.050 Uiso 0.468(5) 1 calc PR A 1
C71 C 0.4763(4) 0.5261(2) 0.5424(3) 0.0363(19) Uani 0.468(5) 1 d PU A 1
H71A H 0.4723 0.4886 0.5275 0.054 Uiso 0.468(5) 1 calc PR A 1
H71B H 0.5172 0.5274 0.5654 0.054 Uiso 0.468(5) 1 calc PR A 1
H71C H 0.4824 0.5537 0.5149 0.054 Uiso 0.468(5) 1 calc PR A 1
P5 P 0.37552(18) 0.54029(14) 0.59073(11) 0.0178(6) Uani 0.532(5) 1 d PU A 2
C13 C 0.3004(3) 0.5023(2) 0.6176(2) 0.0315(16) Uani 0.532(5) 1 d PU A 2
H13A H 0.2565 0.5218 0.6087 0.047 Uiso 0.532(5) 1 calc PR A 2
H13B H 0.3051 0.5005 0.6551 0.047 Uiso 0.532(5) 1 calc PR A 2
H13C H 0.2994 0.4643 0.6036 0.047 Uiso 0.532(5) 1 calc PR A 2
C72 C 0.3627(4) 0.5332(4) 0.5226(4) 0.0224(18) Uani 0.532(5) 1 d PU A 2
H72A H 0.4016 0.5516 0.5044 0.034 Uiso 0.532(5) 1 calc PR A 2
H72B H 0.3179 0.5507 0.5128 0.034 Uiso 0.532(5) 1 calc PR A 2
H72C H 0.3617 0.4934 0.5135 0.034 Uiso 0.532(5) 1 calc PR A 2
C14 C 0.4473(4) 0.4925(3) 0.6027(2) 0.0401(19) Uani 0.532(5) 1 d PU A 2
H14A H 0.4356 0.4557 0.5887 0.060 Uiso 0.532(5) 1 calc PR A 2
H14B H 0.4551 0.4893 0.6398 0.060 Uiso 0.532(5) 1 calc PR A 2
H14C H 0.4904 0.5066 0.5863 0.060 Uiso 0.532(5) 1 calc PR A 2
C10 C 0.4816(2) 0.74911(16) 0.63116(12) 0.0588(12) Uani 1 1 d U . .
H10A H 0.5250 0.7272 0.6350 0.088 Uiso 1 1 calc R A .
H10B H 0.4860 0.7842 0.6503 0.088 Uiso 1 1 calc R . .
H10C H 0.4737 0.7574 0.5947 0.088 Uiso 1 1 calc R . .
C11 C 0.3356(2) 0.75874(13) 0.65655(13) 0.0512(10) Uani 1 1 d U . .
H11A H 0.3255 0.7709 0.6214 0.077 Uiso 1 1 calc R A .
H11B H 0.3487 0.7912 0.6774 0.077 Uiso 1 1 calc R . .
H11C H 0.2936 0.7409 0.6712 0.077 Uiso 1 1 calc R . .
C12 C 0.42923(18) 0.70274(13) 0.72350(10) 0.0355(8) Uani 1 1 d U . .
H12A H 0.4708 0.6787 0.7274 0.053 Uiso 1 1 calc R A .
H12B H 0.3891 0.6861 0.7418 0.053 Uiso 1 1 calc R . .
H12C H 0.4394 0.7398 0.7378 0.053 Uiso 1 1 calc R . .
C16 C 0.27620(14) 0.75027(11) 0.47550(10) 0.0207(6) Uani 1 1 d U . .
H16A H 0.2976 0.7601 0.4424 0.031 Uiso 1 1 calc R A .
H16B H 0.3121 0.7334 0.4978 0.031 Uiso 1 1 calc R . .
H16C H 0.2574 0.7841 0.4919 0.031 Uiso 1 1 calc R . .
C17 C 0.24583(16) 0.64615(11) 0.42673(10) 0.0257(7) Uani 1 1 d U . .
H17A H 0.2098 0.6193 0.4158 0.039 Uiso 1 1 calc R A .
H17B H 0.2818 0.6269 0.4472 0.039 Uiso 1 1 calc R . .
H17C H 0.2680 0.6629 0.3964 0.039 Uiso 1 1 calc R . .
C18 C 0.15152(15) 0.73692(11) 0.41796(9) 0.0240(6) Uani 1 1 d U . .
H18A H 0.1817 0.7498 0.3897 0.036 Uiso 1 1 calc R A .
H18B H 0.1285 0.7692 0.4341 0.036 Uiso 1 1 calc R . .
H18C H 0.1154 0.7114 0.4045 0.036 Uiso 1 1 calc R . .
C19 C 0.01138(17) 0.58941(13) 0.57622(10) 0.0320(7) Uani 1 1 d U . .
H19A H -0.0173 0.6074 0.5496 0.048 Uiso 1 1 calc R A .
H19B H -0.0189 0.5787 0.6051 0.048 Uiso 1 1 calc R . .
H19C H 0.0341 0.5560 0.5620 0.048 Uiso 1 1 calc R . .
C20 C 0.02753(16) 0.69101(12) 0.63150(10) 0.0289(7) Uani 1 1 d U . .
H20A H 0.0596 0.7185 0.6468 0.043 Uiso 1 1 calc R A .
H20B H -0.0008 0.6735 0.6586 0.043 Uiso 1 1 calc R . .
H20C H -0.0038 0.7098 0.6070 0.043 Uiso 1 1 calc R . .
C21 C 0.12250(16) 0.59950(12) 0.64952(10) 0.0269(7) Uani 1 1 d U . .
H21A H 0.1454 0.5662 0.6352 0.040 Uiso 1 1 calc R A .
H21B H 0.0876 0.5881 0.6753 0.040 Uiso 1 1 calc R . .
H21C H 0.1582 0.6235 0.6656 0.040 Uiso 1 1 calc R . .
C30 C 0.25776(14) 0.62772(10) 0.83815(8) 0.0120(5) Uani 1 1 d U . .
C31 C 0.30926(14) 0.66901(10) 0.84722(9) 0.0143(5) Uani 1 1 d U . .
H31 H 0.3486 0.6603 0.8684 0.017 Uiso 1 1 calc R . .
C32 C 0.30394(14) 0.72166(10) 0.82616(9) 0.0145(5) Uani 1 1 d U . .
C33 C 0.24819(14) 0.73683(10) 0.79454(9) 0.0172(6) Uani 1 1 d U . .
H33 H 0.2453 0.7730 0.7795 0.021 Uiso 1 1 calc R . .
C34 C 0.19740(15) 0.69681(10) 0.78615(9) 0.0174(6) Uani 1 1 d U . .
C35 C 0.20097(14) 0.64343(10) 0.80711(8) 0.0144(5) Uani 1 1 d U . .
H35 H 0.1643 0.6173 0.8003 0.017 Uiso 1 1 calc R . .
C40 C 0.20796(14) 0.52074(9) 0.84507(9) 0.0120(5) Uani 1 1 d U . .
C41 C 0.20509(14) 0.50975(10) 0.79191(9) 0.0147(5) Uani 1 1 d U . .
H41 H 0.2326 0.5317 0.7690 0.018 Uiso 1 1 calc R . .
C42 C 0.16292(14) 0.46748(10) 0.77269(9) 0.0149(5) Uani 1 1 d U . .
C43 C 0.12251(14) 0.43342(10) 0.80399(9) 0.0165(6) Uani 1 1 d U . .
H43 H 0.0938 0.4045 0.7903 0.020 Uiso 1 1 calc R . .
C44 C 0.12604(14) 0.44362(10) 0.85603(9) 0.0167(6) Uani 1 1 d U . .
C45 C 0.16733(14) 0.48597(10) 0.87659(9) 0.0142(5) Uani 1 1 d U . .
H45 H 0.1680 0.4915 0.9127 0.017 Uiso 1 1 calc R . .
C50 C 0.24896(14) 0.58200(9) 0.92802(9) 0.0129(5) Uani 1 1 d U . .
C51 C 0.18169(14) 0.60122(10) 0.94213(9) 0.0150(5) Uani 1 1 d U . .
H51 H 0.1453 0.6028 0.9170 0.018 Uiso 1 1 calc R . .
C52 C 0.16713(14) 0.61808(10) 0.99212(9) 0.0173(6) Uani 1 1 d U . .
C53 C 0.21797(15) 0.61659(10) 1.03017(9) 0.0182(6) Uani 1 1 d U . .
H53 H 0.2076 0.6278 1.0643 0.022 Uiso 1 1 calc R . .
C54 C 0.28424(15) 0.59818(10) 1.01663(9) 0.0190(6) Uani 1 1 d U . .
C55 C 0.30027(14) 0.58121(10) 0.96678(9) 0.0139(5) Uani 1 1 d U . .
H55 H 0.3468 0.5689 0.9590 0.017 Uiso 1 1 calc R . .
C60 C 0.34148(14) 0.53848(9) 0.85667(8) 0.0118(5) Uani 1 1 d U . .
C61 C 0.36591(14) 0.49378(10) 0.88694(8) 0.0129(5) Uani 1 1 d U . .
H61 H 0.3394 0.4822 0.9160 0.015 Uiso 1 1 calc R . .
C62 C 0.42815(14) 0.46639(10) 0.87491(9) 0.0146(5) Uani 1 1 d U . .
C63 C 0.46899(14) 0.48003(10) 0.83285(9) 0.0165(6) Uani 1 1 d U . .
H63 H 0.5118 0.4610 0.8253 0.020 Uiso 1 1 calc R . .
C64 C 0.44370(14) 0.52314(10) 0.80233(8) 0.0145(5) Uani 1 1 d U . .
C65 C 0.38233(14) 0.55211(10) 0.81371(9) 0.0140(5) Uani 1 1 d U . .
H65 H 0.3677 0.5818 0.7919 0.017 Uiso 1 1 calc R . .
C100 C 0.05473(17) 0.85562(11) 0.75190(11) 0.0277(7) Uani 1 1 d U . .
C101 C 0.1162(2) 0.87015(11) 0.77678(11) 0.0348(8) Uani 1 1 d U . .
H101 H 0.1174 0.8762 0.8128 0.042 Uiso 1 1 calc R . .
C102 C 0.17714(18) 0.87553(12) 0.74638(13) 0.0376(8) Uani 1 1 d U . .
H102 H 0.2208 0.8859 0.7616 0.045 Uiso 1 1 calc R . .
C103 C 0.17305(19) 0.86568(13) 0.69435(12) 0.0367(8) Uani 1 1 d U . .
H103 H 0.2144 0.8689 0.6739 0.044 Uiso 1 1 calc R . .
C104 C 0.11076(19) 0.85140(13) 0.67187(12) 0.0366(8) Uani 1 1 d U . .
H104 H 0.1091 0.8449 0.6359 0.044 Uiso 1 1 calc R . .
C105 C 0.05055(18) 0.84633(11) 0.70053(11) 0.0311(7) Uani 1 1 d U . .
H105 H 0.0069 0.8366 0.6849 0.037 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
Ag1 C6 2.601(3) . ?
Ag1 Fe1 2.6272(7) . ?
Ag1 Fe2 2.6294(7) . ?
Ag1 C3 2.657(3) . ?
F1 C100 1.367(3) . ?
Cl1 C32 1.751(3) . ?
B1 C60 1.633(4) . ?
B1 C40 1.643(4) . ?
B1 C30 1.646(3) . ?
B1 C50 1.647(3) . ?
P1 C11 1.802(4) . ?
P1 C10 1.809(3) . ?
P1 C12 1.815(3) . ?
P1 Fe1 2.2257(8) . ?
Fe1 C2 1.769(3) . ?
Fe1 C1 1.786(3) . ?
Fe1 C3 1.789(3) . ?
Fe1 P5 2.216(3) . ?
Fe1 P2 2.279(4) . ?
O1 C1 1.157(3) . ?
Fe2 C5 1.774(3) . ?
Fe2 C6 1.779(3) . ?
Fe2 C4 1.783(3) . ?
Fe2 P4 2.2275(8) . ?
Fe2 P3 2.2527(7) . ?
Cl2 C34 1.749(3) . ?
O2 C2 1.150(3) . ?
O3 C3 1.152(3) . ?
P3 C18 1.813(3) . ?
P3 C17 1.816(3) . ?
P3 C16 1.816(3) . ?
Cl3 C42 1.756(2) . ?
Cl4 C44 1.756(3) . ?
P4 C20 1.814(3) . ?
P4 C19 1.815(3) . ?
P4 C21 1.818(3) . ?
O4 C4 1.156(3) . ?
O5 C5 1.147(3) . ?
Cl5 C52 1.746(3) . ?
O6 C6 1.157(3) . ?
Cl6 C54 1.745(3) . ?
Cl8 C64 1.750(2) . ?
Cl7 C62 1.757(2) . ?
P2 C71 1.799(7) . ?
P2 C70 1.805(7) . ?
P2 C15 1.817(11) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
P5 C72 1.799(10) . ?
P5 C14 1.803(7) . ?
P5 C13 1.826(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C30 C35 1.397(3) . ?
C30 C31 1.407(3) . ?
C31 C32 1.377(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.387(4) . ?
C33 C34 1.374(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.390(3) . ?
C35 H35 0.9500 . ?
C40 C45 1.399(3) . ?
C40 C41 1.410(3) . ?
C41 C42 1.382(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.383(3) . ?
C43 C44 1.379(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.387(3) . ?
C45 H45 0.9500 . ?
C50 C55 1.401(3) . ?
C50 C51 1.403(4) . ?
C51 C52 1.391(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.382(4) . ?
C53 C54 1.376(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.394(3) . ?
C55 H55 0.9500 . ?
C60 C65 1.399(3) . ?
C60 C61 1.406(3) . ?
C61 C62 1.384(4) . ?
C61 H61 0.9500 . ?
C62 C63 1.380(3) . ?
C63 C64 1.387(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.385(4) . ?
C65 H65 0.9500 . ?
C100 C105 1.359(4) . ?
C100 C101 1.377(5) . ?
C101 C102 1.405(5) . ?
C101 H101 0.9500 . ?
C102 C103 1.378(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.360(5) . ?
C103 H103 0.9500 . ?
C104 C105 1.368(4) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 Ag1 Fe1 141.87(6) . . ?
C6 Ag1 Fe2 39.77(6) . . ?
Fe1 Ag1 Fe2 176.438(13) . . ?
C6 Ag1 C3 126.78(8) . . ?
Fe1 Ag1 C3 39.57(6) . . ?
Fe2 Ag1 C3 137.21(6) . . ?
C60 B1 C40 103.97(19) . . ?
C60 B1 C30 110.9(2) . . ?
C40 B1 C30 112.3(2) . . ?
C60 B1 C50 114.5(2) . . ?
C40 B1 C50 111.7(2) . . ?
C30 B1 C50 103.67(19) . . ?
C11 P1 C10 104.2(2) . . ?
C11 P1 C12 102.63(15) . . ?
C10 P1 C12 102.57(16) . . ?
C11 P1 Fe1 119.18(11) . . ?
C10 P1 Fe1 113.29(12) . . ?
C12 P1 Fe1 113.08(11) . . ?
C2 Fe1 C1 111.80(12) . . ?
C2 Fe1 C3 104.17(12) . . ?
C1 Fe1 C3 144.01(13) . . ?
C2 Fe1 P5 91.84(13) . . ?
C1 Fe1 P5 84.43(13) . . ?
C3 Fe1 P5 95.92(11) . . ?
C2 Fe1 P1 86.45(9) . . ?
C1 Fe1 P1 87.81(10) . . ?
C3 Fe1 P1 93.26(8) . . ?
P5 Fe1 P1 170.80(8) . . ?
C2 Fe1 P2 84.68(13) . . ?
C1 Fe1 P2 97.72(13) . . ?
C3 Fe1 P2 86.59(12) . . ?
P5 Fe1 P2 13.50(7) . . ?
P1 Fe1 P2 170.81(10) . . ?
C2 Fe1 Ag1 174.65(8) . . ?
C1 Fe1 Ag1 73.01(9) . . ?
C3 Fe1 Ag1 71.11(9) . . ?
P5 Fe1 Ag1 86.23(9) . . ?
P1 Fe1 Ag1 96.24(3) . . ?
P2 Fe1 Ag1 92.41(10) . . ?
O1 C1 Fe1 176.2(3) . . ?
C5 Fe2 C6 106.37(12) . . ?
C5 Fe2 C4 110.35(12) . . ?
C6 Fe2 C4 142.99(12) . . ?
C5 Fe2 P4 85.55(8) . . ?
C6 Fe2 P4 91.79(8) . . ?
C4 Fe2 P4 86.62(8) . . ?
C5 Fe2 P3 89.95(8) . . ?
C6 Fe2 P3 92.64(8) . . ?
C4 Fe2 P3 91.87(8) . . ?
P4 Fe2 P3 174.42(3) . . ?
C5 Fe2 Ag1 175.27(9) . . ?
C6 Fe2 Ag1 69.25(8) . . ?
C4 Fe2 Ag1 74.17(9) . . ?
P4 Fe2 Ag1 96.25(3) . . ?
P3 Fe2 Ag1 88.49(3) . . ?
O2 C2 Fe1 177.6(2) . . ?
C18 P3 C17 101.96(13) . . ?
C18 P3 C16 101.68(13) . . ?
C17 P3 C16 103.52(13) . . ?
C18 P3 Fe2 114.89(10) . . ?
C17 P3 Fe2 115.24(9) . . ?
C16 P3 Fe2 117.43(9) . . ?
O3 C3 Fe1 174.0(2) . . ?
O3 C3 Ag1 116.44(19) . . ?
Fe1 C3 Ag1 69.32(9) . . ?
C20 P4 C19 102.99(15) . . ?
C20 P4 C21 104.42(13) . . ?
C19 P4 C21 103.42(14) . . ?
C20 P4 Fe2 114.31(10) . . ?
C19 P4 Fe2 112.65(9) . . ?
C21 P4 Fe2 117.45(10) . . ?
O4 C4 Fe2 175.7(3) . . ?
O5 C5 Fe2 177.1(2) . . ?
O6 C6 Fe2 174.6(2) . . ?
O6 C6 Ag1 114.4(2) . . ?
Fe2 C6 Ag1 70.98(8) . . ?
C71 P2 C70 103.4(4) . . ?
C71 P2 C15 100.4(5) . . ?
C70 P2 C15 104.1(5) . . ?
C71 P2 Fe1 116.7(3) . . ?
C70 P2 Fe1 113.5(3) . . ?
C15 P2 Fe1 116.9(4) . . ?
C72 P5 C14 102.3(4) . . ?
C72 P5 C13 103.1(4) . . ?
C14 P5 C13 101.9(4) . . ?
C72 P5 Fe1 114.4(4) . . ?
C14 P5 Fe1 115.3(3) . . ?
C13 P5 Fe1 117.7(2) . . ?
P5 C13 H13A 109.5 . . ?
P5 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
P5 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P5 C72 H72A 109.5 . . ?
P5 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
P5 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
P5 C14 H14A 109.5 . . ?
P5 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
P5 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
P1 C10 H10A 109.5 . . ?
P1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
P1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
P1 C12 H12A 109.5 . . ?
P1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
P1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P3 C16 H16A 109.5 . . ?
P3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
P3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
P3 C17 H17A 109.5 . . ?
P3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
P3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
P3 C18 H18A 109.5 . . ?
P3 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
P3 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P4 C19 H19A 109.5 . . ?
P4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
P4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P4 C20 H20A 109.5 . . ?
P4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
P4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P4 C21 H21A 109.5 . . ?
P4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
P4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C35 C30 C31 116.2(2) . . ?
C35 C30 B1 124.4(2) . . ?
C31 C30 B1 119.2(2) . . ?
C32 C31 C30 121.6(2) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C31 C32 C33 122.1(2) . . ?
C31 C32 Cl1 120.1(2) . . ?
C33 C32 Cl1 117.84(19) . . ?
C34 C33 C32 116.4(2) . . ?
C34 C33 H33 121.8 . . ?
C32 C33 H33 121.8 . . ?
C33 C34 C35 122.9(2) . . ?
C33 C34 Cl2 118.20(19) . . ?
C35 C34 Cl2 118.9(2) . . ?
C34 C35 C30 120.8(2) . . ?
C34 C35 H35 119.6 . . ?
C30 C35 H35 119.6 . . ?
C45 C40 C41 116.4(2) . . ?
C45 C40 B1 123.3(2) . . ?
C41 C40 B1 119.8(2) . . ?
C42 C41 C40 120.9(2) . . ?
C42 C41 H41 119.5 . . ?
C40 C41 H41 119.5 . . ?
C41 C42 C43 122.4(2) . . ?
C41 C42 Cl3 119.34(19) . . ?
C43 C42 Cl3 118.21(19) . . ?
C44 C43 C42 116.7(2) . . ?
C44 C43 H43 121.7 . . ?
C42 C43 H43 121.7 . . ?
C43 C44 C45 122.4(2) . . ?
C43 C44 Cl4 118.75(19) . . ?
C45 C44 Cl4 118.85(18) . . ?
C44 C45 C40 121.1(2) . . ?
C44 C45 H45 119.4 . . ?
C40 C45 H45 119.4 . . ?
C55 C50 C51 116.4(2) . . ?
C55 C50 B1 124.4(2) . . ?
C51 C50 B1 119.0(2) . . ?
C52 C51 C50 121.3(2) . . ?
C52 C51 H51 119.3 . . ?
C50 C51 H51 119.3 . . ?
C53 C52 C51 121.7(3) . . ?
C53 C52 Cl5 118.86(19) . . ?
C51 C52 Cl5 119.4(2) . . ?
C54 C53 C52 117.3(2) . . ?
C54 C53 H53 121.3 . . ?
C52 C53 H53 121.3 . . ?
C53 C54 C55 122.1(2) . . ?
C53 C54 Cl6 118.71(19) . . ?
C55 C54 Cl6 119.2(2) . . ?
C54 C55 C50 121.1(2) . . ?
C54 C55 H55 119.5 . . ?
C50 C55 H55 119.5 . . ?
C65 C60 C61 116.4(2) . . ?
C65 C60 B1 122.2(2) . . ?
C61 C60 B1 120.9(2) . . ?
C62 C61 C60 120.8(2) . . ?
C62 C61 H61 119.6 . . ?
C60 C61 H61 119.6 . . ?
C63 C62 C61 123.0(2) . . ?
C63 C62 Cl7 117.8(2) . . ?
C61 C62 Cl7 119.20(18) . . ?
C62 C63 C64 115.9(2) . . ?
C62 C63 H63 122.0 . . ?
C64 C63 H63 122.0 . . ?
C65 C64 C63 122.6(2) . . ?
C65 C64 Cl8 119.34(18) . . ?
C63 C64 Cl8 118.1(2) . . ?
C64 C65 C60 121.2(2) . . ?
C64 C65 H65 119.4 . . ?
C60 C65 H65 119.4 . . ?
C105 C100 F1 118.1(3) . . ?
C105 C100 C101 123.6(3) . . ?
F1 C100 C101 118.3(3) . . ?
C100 C101 C102 116.9(3) . . ?
C100 C101 H101 121.6 . . ?
C102 C101 H101 121.6 . . ?
C103 C102 C101 119.5(3) . . ?
C103 C102 H102 120.2 . . ?
C101 C102 H102 120.2 . . ?
C104 C103 C102 121.0(3) . . ?
C104 C103 H103 119.5 . . ?
C102 C103 H103 119.5 . . ?
C103 C104 C105 120.6(3) . . ?
C103 C104 H104 119.7 . . ?
C105 C104 H104 119.7 . . ?
C100 C105 C104 118.3(3) . . ?
C100 C105 H105 120.8 . . ?
C104 C105 H105 120.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 P1 Fe1 C2 -178.67(17) . . . . ?
C10 P1 Fe1 C2 58.18(18) . . . . ?
C12 P1 Fe1 C2 -57.99(15) . . . . ?
C11 P1 Fe1 C1 -66.66(17) . . . . ?
C10 P1 Fe1 C1 170.19(18) . . . . ?
C12 P1 Fe1 C1 54.02(15) . . . . ?
C11 P1 Fe1 C3 77.32(17) . . . . ?
C10 P1 Fe1 C3 -45.83(18) . . . . ?
C12 P1 Fe1 C3 -162.00(15) . . . . ?
C11 P1 Fe1 Ag1 5.98(15) . . . . ?
C10 P1 Fe1 Ag1 -117.17(16) . . . . ?
C12 P1 Fe1 Ag1 126.66(12) . . . . ?
C6 Ag1 Fe1 C1 88.20(13) . . . . ?
C3 Ag1 Fe1 C1 177.10(13) . . . . ?
C6 Ag1 Fe1 C3 -88.90(12) . . . . ?
C6 Ag1 Fe1 P5 173.53(12) . . . . ?
C3 Ag1 Fe1 P5 -97.57(11) . . . . ?
C6 Ag1 Fe1 P1 2.42(9) . . . . ?
C3 Ag1 Fe1 P1 91.32(8) . . . . ?
C6 Ag1 Fe1 P2 -174.46(12) . . . . ?
C3 Ag1 Fe1 P2 -85.57(12) . . . . ?
C3 Ag1 Fe2 C6 -94.57(11) . . . . ?
C6 Ag1 Fe2 C4 -174.23(11) . . . . ?
C3 Ag1 Fe2 C4 91.20(11) . . . . ?
C6 Ag1 Fe2 P4 -89.54(8) . . . . ?
C3 Ag1 Fe2 P4 175.89(8) . . . . ?
C6 Ag1 Fe2 P3 93.40(8) . . . . ?
C3 Ag1 Fe2 P3 -1.18(8) . . . . ?
C5 Fe2 P3 C18 6.83(13) . . . . ?
C6 Fe2 P3 C18 -99.56(13) . . . . ?
C4 Fe2 P3 C18 117.19(13) . . . . ?
Ag1 Fe2 P3 C18 -168.71(10) . . . . ?
C5 Fe2 P3 C17 -111.28(14) . . . . ?
C6 Fe2 P3 C17 142.33(14) . . . . ?
C4 Fe2 P3 C17 -0.92(14) . . . . ?
Ag1 Fe2 P3 C17 73.18(11) . . . . ?
C5 Fe2 P3 C16 126.32(13) . . . . ?
C6 Fe2 P3 C16 19.93(13) . . . . ?
C4 Fe2 P3 C16 -123.32(13) . . . . ?
Ag1 Fe2 P3 C16 -49.22(10) . . . . ?
C2 Fe1 C3 Ag1 177.37(9) . . . . ?
C1 Fe1 C3 Ag1 -4.7(2) . . . . ?
P5 Fe1 C3 Ag1 83.95(9) . . . . ?
P1 Fe1 C3 Ag1 -95.48(4) . . . . ?
P2 Fe1 C3 Ag1 93.73(10) . . . . ?
C6 Ag1 C3 O3 -52.1(2) . . . . ?
Fe1 Ag1 C3 O3 178.4(2) . . . . ?
Fe2 Ag1 C3 O3 0.7(2) . . . . ?
C6 Ag1 C3 Fe1 129.57(9) . . . . ?
Fe2 Ag1 C3 Fe1 -177.67(2) . . . . ?
C5 Fe2 P4 C20 -62.77(14) . . . . ?
C6 Fe2 P4 C20 43.52(14) . . . . ?
C4 Fe2 P4 C20 -173.50(14) . . . . ?
Ag1 Fe2 P4 C20 112.84(11) . . . . ?
C5 Fe2 P4 C19 54.35(14) . . . . ?
C6 Fe2 P4 C19 160.63(14) . . . . ?
C4 Fe2 P4 C19 -56.38(14) . . . . ?
Ag1 Fe2 P4 C19 -130.04(12) . . . . ?
C5 Fe2 P4 C21 174.36(14) . . . . ?
C6 Fe2 P4 C21 -79.36(14) . . . . ?
C4 Fe2 P4 C21 63.63(14) . . . . ?
Ag1 Fe2 P4 C21 -10.03(11) . . . . ?
C5 Fe2 C6 Ag1 -178.10(8) . . . . ?
C4 Fe2 C6 Ag1 9.25(19) . . . . ?
P4 Fe2 C6 Ag1 96.01(4) . . . . ?
P3 Fe2 C6 Ag1 -87.38(4) . . . . ?
Fe1 Ag1 C6 O6 -4.4(2) . . . . ?
Fe2 Ag1 C6 O6 -179.4(2) . . . . ?
C3 Ag1 C6 O6 -57.1(2) . . . . ?
Fe1 Ag1 C6 Fe2 174.96(2) . . . . ?
C3 Ag1 C6 Fe2 122.29(9) . . . . ?
C2 Fe1 P2 C71 -45.2(3) . . . . ?
C1 Fe1 P2 C71 -156.5(3) . . . . ?
C3 Fe1 P2 C71 59.4(3) . . . . ?
P5 Fe1 P2 C71 -166.9(9) . . . . ?
Ag1 Fe1 P2 C71 130.3(3) . . . . ?
C2 Fe1 P2 C70 74.8(4) . . . . ?
C1 Fe1 P2 C70 -36.5(4) . . . . ?
C3 Fe1 P2 C70 179.4(4) . . . . ?
P5 Fe1 P2 C70 -46.9(7) . . . . ?
Ag1 Fe1 P2 C70 -109.7(3) . . . . ?
C2 Fe1 P2 C15 -164.0(5) . . . . ?
C1 Fe1 P2 C15 84.7(5) . . . . ?
C3 Fe1 P2 C15 -59.4(5) . . . . ?
P5 Fe1 P2 C15 74.3(8) . . . . ?
Ag1 Fe1 P2 C15 11.5(5) . . . . ?
C2 Fe1 P5 C72 -114.6(4) . . . . ?
C1 Fe1 P5 C72 133.6(4) . . . . ?
C3 Fe1 P5 C72 -10.2(4) . . . . ?
P2 Fe1 P5 C72 -56.7(7) . . . . ?
Ag1 Fe1 P5 C72 60.4(3) . . . . ?
C2 Fe1 P5 C14 3.6(3) . . . . ?
C1 Fe1 P5 C14 -108.1(3) . . . . ?
C3 Fe1 P5 C14 108.1(3) . . . . ?
P2 Fe1 P5 C14 61.5(7) . . . . ?
Ag1 Fe1 P5 C14 178.6(3) . . . . ?
C2 Fe1 P5 C13 124.0(3) . . . . ?
C1 Fe1 P5 C13 12.3(3) . . . . ?
C3 Fe1 P5 C13 -131.5(3) . . . . ?
P2 Fe1 P5 C13 -178.1(9) . . . . ?
Ag1 Fe1 P5 C13 -61.0(3) . . . . ?
C60 B1 C30 C35 130.3(2) . . . . ?
C40 B1 C30 C35 14.4(3) . . . . ?
C50 B1 C30 C35 -106.4(3) . . . . ?
C60 B1 C30 C31 -54.5(3) . . . . ?
C40 B1 C30 C31 -170.4(2) . . . . ?
C50 B1 C30 C31 68.8(3) . . . . ?
C35 C30 C31 C32 -0.6(3) . . . . ?
B1 C30 C31 C32 -176.1(2) . . . . ?
C30 C31 C32 C33 -0.6(4) . . . . ?
C30 C31 C32 Cl1 178.74(18) . . . . ?
C31 C32 C33 C34 1.4(4) . . . . ?
Cl1 C32 C33 C34 -178.01(18) . . . . ?
C32 C33 C34 C35 -0.9(4) . . . . ?
C32 C33 C34 Cl2 178.15(18) . . . . ?
C33 C34 C35 C30 -0.3(4) . . . . ?
Cl2 C34 C35 C30 -179.36(18) . . . . ?
C31 C30 C35 C34 1.0(3) . . . . ?
B1 C30 C35 C34 176.3(2) . . . . ?
C60 B1 C40 C45 105.1(3) . . . . ?
C30 B1 C40 C45 -134.9(2) . . . . ?
C50 B1 C40 C45 -18.8(3) . . . . ?
C60 B1 C40 C41 -66.9(3) . . . . ?
C30 B1 C40 C41 53.2(3) . . . . ?
C50 B1 C40 C41 169.2(2) . . . . ?
C45 C40 C41 C42 1.3(4) . . . . ?
B1 C40 C41 C42 173.8(2) . . . . ?
C40 C41 C42 C43 -1.0(4) . . . . ?
C40 C41 C42 Cl3 -179.81(19) . . . . ?
C41 C42 C43 C44 0.1(4) . . . . ?
Cl3 C42 C43 C44 178.89(19) . . . . ?
C42 C43 C44 C45 0.5(4) . . . . ?
C42 C43 C44 Cl4 -179.23(19) . . . . ?
C43 C44 C45 C40 -0.1(4) . . . . ?
Cl4 C44 C45 C40 179.59(19) . . . . ?
C41 C40 C45 C44 -0.8(4) . . . . ?
B1 C40 C45 C44 -173.0(2) . . . . ?
C60 B1 C50 C55 11.7(3) . . . . ?
C40 B1 C50 C55 129.5(2) . . . . ?
C30 B1 C50 C55 -109.3(3) . . . . ?
C60 B1 C50 C51 -173.5(2) . . . . ?
C40 B1 C50 C51 -55.7(3) . . . . ?
C30 B1 C50 C51 65.5(3) . . . . ?
C55 C50 C51 C52 -0.5(3) . . . . ?
B1 C50 C51 C52 -175.7(2) . . . . ?
C50 C51 C52 C53 -0.2(4) . . . . ?
C50 C51 C52 Cl5 179.78(18) . . . . ?
C51 C52 C53 C54 0.6(4) . . . . ?
Cl5 C52 C53 C54 -179.33(19) . . . . ?
C52 C53 C54 C55 -0.4(4) . . . . ?
C52 C53 C54 Cl6 179.63(19) . . . . ?
C53 C54 C55 C50 -0.2(4) . . . . ?
Cl6 C54 C55 C50 179.72(19) . . . . ?
C51 C50 C55 C54 0.7(3) . . . . ?
B1 C50 C55 C54 175.6(2) . . . . ?
C40 B1 C60 C65 97.3(2) . . . . ?
C30 B1 C60 C65 -23.6(3) . . . . ?
C50 B1 C60 C65 -140.5(2) . . . . ?
C40 B1 C60 C61 -74.5(2) . . . . ?
C30 B1 C60 C61 164.5(2) . . . . ?
C50 B1 C60 C61 47.7(3) . . . . ?
C65 C60 C61 C62 1.7(3) . . . . ?
B1 C60 C61 C62 174.0(2) . . . . ?
C60 C61 C62 C63 -1.2(4) . . . . ?
C60 C61 C62 Cl7 179.08(18) . . . . ?
C61 C62 C63 C64 -0.6(4) . . . . ?
Cl7 C62 C63 C64 179.20(18) . . . . ?
C62 C63 C64 C65 1.7(4) . . . . ?
C62 C63 C64 Cl8 -178.74(18) . . . . ?
C63 C64 C65 C60 -1.2(4) . . . . ?
Cl8 C64 C65 C60 179.28(18) . . . . ?
C61 C60 C65 C64 -0.6(3) . . . . ?
B1 C60 C65 C64 -172.8(2) . . . . ?
C105 C100 C101 C102 0.2(4) . . . . ?
F1 C100 C101 C102 -178.6(2) . . . . ?
C100 C101 C102 C103 -0.7(4) . . . . ?
C101 C102 C103 C104 0.7(5) . . . . ?
C102 C103 C104 C105 -0.2(5) . . . . ?
F1 C100 C105 C104 179.1(2) . . . . ?
C101 C100 C105 C104 0.3(4) . . . . ?
C103 C104 C105 C100 -0.3(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.419
_refine_diff_density_rms         0.091
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive, Light-sensitive'
_database_code_depnum_ccdc_archive 'CCDC 1027227'
