#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:04:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179091 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/53/4305322.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4305322
loop_
_publ_author_name
'Juan Forniés'
'Consuelo Fortuño'
'Susana Ibáñez'
'Antonio Martín'
_publ_section_title
;
Halide Addition/Abstraction in Phosphido Derivatives: Isolation of the
Thallium and Silver Intermediates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5978
_journal_page_last               5987
_journal_paper_doi               10.1021/ic800294c
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C99 H76 Ag Br F20 P5 Pd Pt2'
_chemical_formula_weight         2484.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.123(3)
_cell_angle_beta                 107.068(2)
_cell_angle_gamma                91.923(2)
_cell_formula_units_Z            2
_cell_length_a                   15.091(2)
_cell_length_b                   18.759(3)
_cell_length_c                   19.315(3)
_cell_measurement_temperature    100(2)
_cell_volume                     5084.0(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      373(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27931
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    3.658
_exptl_absorpt_correction_T_max  0.6284
_exptl_absorpt_correction_T_min  0.3873
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.623
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             2418
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.398
_refine_diff_density_min         -1.552
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1306
_refine_ls_number_reflns         17656
_refine_ls_number_restraints     229
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0671P)²+11.4231P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                13810
_reflns_number_total             17656
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800294c-file001_4.cif
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5083.9(12)
_cod_database_code               4305322
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 -0.275486(17) 0.009911(15) 0.292916(15) 0.02555(8) Uani 1 1 d . . .
Pt2 Pt -0.056894(19) 0.298790(15) 0.189645(17) 0.03028(9) Uani 1 1 d . A .
Pd Pd -0.19112(3) 0.17758(3) 0.21953(3) 0.02538(13) Uani 1 1 d . . .
Ag Ag -0.16979(5) 0.30475(4) 0.05069(4) 0.0555(2) Uani 1 1 d . . .
Br Br -0.23144(5) 0.29599(4) 0.17170(4) 0.03168(17) Uani 1 1 d . . .
P1 P -0.16020(12) 0.07077(10) 0.25897(10) 0.0263(4) Uani 1 1 d . . .
P2 P -0.30822(12) 0.11935(11) 0.35214(10) 0.0279(4) Uani 1 1 d . . .
P3 P -0.30698(12) 0.19425(10) 0.27639(10) 0.0272(4) Uani 1 1 d . . .
P4 P -0.09233(12) 0.17395(10) 0.14621(10) 0.0267(4) Uani 1 1 d . . .
P5 P -0.22462(15) 0.34527(12) -0.06132(12) 0.0396(5) Uani 1 1 d . C .
C1 C -0.3669(5) -0.0526(4) 0.3238(4) 0.0287(16) Uani 1 1 d . . .
C2 C -0.3378(5) -0.0800(4) 0.3869(4) 0.0314(17) Uani 1 1 d . . .
C3 C -0.3890(5) -0.1327(4) 0.4028(4) 0.0357(18) Uani 1 1 d . . .
C4 C -0.4766(5) -0.1588(4) 0.3563(4) 0.0354(18) Uani 1 1 d . . .
C5 C -0.5104(5) -0.1315(5) 0.2939(5) 0.041(2) Uani 1 1 d . . .
C6 C -0.4560(5) -0.0812(4) 0.2783(4) 0.0333(17) Uani 1 1 d . . .
F1 F -0.2521(3) -0.0563(3) 0.4365(2) 0.0416(11) Uani 1 1 d . . .
F2 F -0.3535(3) -0.1582(3) 0.4650(2) 0.0470(12) Uani 1 1 d . . .
F3 F -0.5282(3) -0.2100(3) 0.3710(3) 0.0487(12) Uani 1 1 d . . .
F4 F -0.5978(3) -0.1567(3) 0.2478(3) 0.0495(13) Uani 1 1 d . . .
F5 F -0.4930(3) -0.0597(2) 0.2132(2) 0.0393(11) Uani 1 1 d . . .
C7 C -0.2495(5) -0.0915(4) 0.2407(4) 0.0288(16) Uani 1 1 d . . .
C8 C -0.1891(5) -0.1357(4) 0.2760(4) 0.0297(16) Uani 1 1 d . . .
C9 C -0.1748(5) -0.2044(4) 0.2415(5) 0.0370(19) Uani 1 1 d . . .
C10 C -0.2221(6) -0.2316(5) 0.1678(5) 0.047(2) Uani 1 1 d . . .
C11 C -0.2834(5) -0.1903(5) 0.1297(4) 0.0378(19) Uani 1 1 d . . .
C12 C -0.2969(5) -0.1228(4) 0.1667(4) 0.0317(17) Uani 1 1 d . . .
F6 F -0.1396(3) -0.1123(2) 0.3496(2) 0.0372(10) Uani 1 1 d . . .
F7 F -0.1155(3) -0.2446(3) 0.2802(3) 0.0542(14) Uani 1 1 d . . .
F8 F -0.2081(4) -0.2987(3) 0.1329(3) 0.0630(15) Uani 1 1 d . . .
F9 F -0.3283(3) -0.2161(3) 0.0566(3) 0.0517(13) Uani 1 1 d . . .
F10 F -0.3606(3) -0.0862(2) 0.1257(2) 0.0373(10) Uani 1 1 d . . .
C13 C -0.0357(6) 0.4095(3) 0.2334(4) 0.047(2) Uani 1 1 d DU . .
C14 C -0.039(2) 0.4448(5) 0.3003(8) 0.050(5) Uani 0.60 1 d PDU A 1
C15 C -0.0251(17) 0.5219(5) 0.3259(7) 0.068(5) Uani 0.60 1 d PDU A 1
C16 C -0.0136(11) 0.5622(4) 0.2794(7) 0.044(4) Uani 0.60 1 d PDU A 1
C17 C -0.0100(15) 0.5305(5) 0.2094(7) 0.066(5) Uani 0.60 1 d PDU A 1
C18 C -0.0247(14) 0.4553(5) 0.1862(6) 0.039(4) Uani 0.60 1 d PDU A 1
F11 F -0.0500(11) 0.4074(5) 0.3511(5) 0.066(4) Uani 0.60 1 d PDU A 1
F12 F -0.0265(9) 0.5521(5) 0.3947(5) 0.086(4) Uani 0.60 1 d PDU A 1
F13 F 0.0006(9) 0.6371(3) 0.3022(6) 0.085(3) Uani 0.60 1 d PDU A 1
F14 F 0.0006(9) 0.5726(5) 0.1630(6) 0.083(3) Uani 0.60 1 d PDU A 1
F15 F -0.0238(10) 0.4262(5) 0.1163(4) 0.061(3) Uani 0.60 1 d PDU A 1
C14' C -0.034(4) 0.4306(6) 0.3054(11) 0.067(12) Uani 0.40 1 d PDU A 2
C15' C -0.029(3) 0.5039(6) 0.3448(8) 0.066(8) Uani 0.40 1 d PDU A 2
C16' C -0.026(2) 0.5571(5) 0.3091(8) 0.054(7) Uani 0.40 1 d PDU A 2
C17' C -0.022(2) 0.5413(5) 0.2375(8) 0.056(7) Uani 0.40 1 d PDU A 2
C18' C -0.025(3) 0.4694(5) 0.2018(10) 0.080(12) Uani 0.40 1 d PDU A 2
F11' F -0.0424(15) 0.3804(5) 0.3456(6) 0.054(5) Uani 0.40 1 d PDU A 2
F12' F -0.0304(17) 0.5188(7) 0.4156(6) 0.108(7) Uani 0.40 1 d PDU A 2
F13' F -0.0207(12) 0.6292(4) 0.3454(8) 0.088(5) Uani 0.40 1 d PDU A 2
F14' F -0.0221(15) 0.5960(6) 0.2017(9) 0.107(7) Uani 0.40 1 d PDU A 2
F15' F -0.0285(19) 0.4555(6) 0.1292(6) 0.087(7) Uani 0.40 1 d PDU A 2
C19 C 0.0788(4) 0.2976(4) 0.2015(4) 0.0363(19) Uani 1 1 d D . .
C20 C 0.1444(5) 0.3098(5) 0.2690(4) 0.043(2) Uani 1 1 d D A .
C21 C 0.2400(5) 0.3044(5) 0.2796(5) 0.044(2) Uani 1 1 d D . .
C22 C 0.2689(5) 0.2844(5) 0.2198(5) 0.047(2) Uani 1 1 d D A .
C23 C 0.2070(5) 0.2715(5) 0.1493(5) 0.043(2) Uani 1 1 d D . .
C24 C 0.1143(5) 0.2789(4) 0.1413(4) 0.0344(18) Uani 1 1 d D A .
F16 F 0.1195(3) 0.3269(3) 0.3324(3) 0.0512(13) Uani 1 1 d D . .
F17 F 0.3003(3) 0.3171(3) 0.3486(3) 0.0675(16) Uani 1 1 d D A .
F18 F 0.3613(3) 0.2779(3) 0.2281(3) 0.0681(16) Uani 1 1 d D . .
F19 F 0.2364(3) 0.2509(3) 0.0890(3) 0.0590(14) Uani 1 1 d D A .
F20 F 0.0562(3) 0.2658(3) 0.0704(2) 0.0445(11) Uani 1 1 d D . .
C25 C -0.1256(5) 0.0059(4) 0.1888(4) 0.0306(17) Uani 1 1 d . . .
C26 C -0.0461(5) -0.0299(4) 0.2025(5) 0.0371(19) Uani 1 1 d . . .
H26A H -0.0026 -0.0182 0.2497 0.044 Uiso 1 1 calc R . .
C27 C -0.0301(6) -0.0832(4) 0.1468(6) 0.048(2) Uani 1 1 d . . .
H27A H 0.0242 -0.1063 0.1572 0.058 Uiso 1 1 calc R . .
C28 C -0.0934(6) -0.1023(5) 0.0767(5) 0.048(2) Uani 1 1 d . . .
H28A H -0.0837 -0.1395 0.0403 0.058 Uiso 1 1 calc R . .
C29 C -0.1722(6) -0.0651(5) 0.0614(5) 0.044(2) Uani 1 1 d . . .
H29A H -0.2142 -0.0757 0.0136 0.052 Uiso 1 1 calc R . .
C30 C -0.1886(5) -0.0124(4) 0.1167(4) 0.0322(17) Uani 1 1 d . . .
H30A H -0.2425 0.0113 0.1058 0.039 Uiso 1 1 calc R . .
C31 C -0.0561(5) 0.0980(4) 0.3414(4) 0.0311(17) Uani 1 1 d . . .
C32 C -0.0140(5) 0.0460(5) 0.3792(5) 0.043(2) Uani 1 1 d . . .
H32A H -0.0382 -0.0030 0.3631 0.052 Uiso 1 1 calc R . .
C33 C 0.0635(6) 0.0680(5) 0.4405(5) 0.051(2) Uani 1 1 d . . .
H33A H 0.0924 0.0329 0.4643 0.062 Uiso 1 1 calc R . .
C34 C 0.1003(6) 0.1406(4) 0.4680(5) 0.046(2) Uani 1 1 d . . .
H34A H 0.1526 0.1542 0.5098 0.055 Uiso 1 1 calc R . .
C35 C 0.0574(5) 0.1921(5) 0.4318(5) 0.044(2) Uani 1 1 d . . .
H35A H 0.0808 0.2412 0.4495 0.053 Uiso 1 1 calc R . .
C36 C -0.0215(5) 0.1711(4) 0.3685(4) 0.0326(17) Uani 1 1 d . . .
H36A H -0.0504 0.2063 0.3449 0.039 Uiso 1 1 calc R . .
C37 C -0.2185(5) 0.1608(4) 0.4392(4) 0.0337(18) Uani 1 1 d . . .
C38 C -0.2069(6) 0.2341(5) 0.4732(4) 0.048(2) Uani 1 1 d . . .
H38A H -0.2466 0.2659 0.4520 0.057 Uiso 1 1 calc R . .
C39 C -0.1350(7) 0.2605(6) 0.5398(5) 0.062(3) Uani 1 1 d . . .
H39A H -0.1269 0.3102 0.5626 0.075 Uiso 1 1 calc R . .
C40 C -0.0756(7) 0.2139(5) 0.5723(5) 0.056(3) Uani 1 1 d . . .
H40A H -0.0278 0.2320 0.6165 0.067 Uiso 1 1 calc R . .
C41 C -0.0878(6) 0.1410(5) 0.5389(5) 0.053(2) Uani 1 1 d . . .
H41A H -0.0487 0.1092 0.5608 0.064 Uiso 1 1 calc R . .
C42 C -0.1591(6) 0.1139(5) 0.4719(5) 0.046(2) Uani 1 1 d . . .
H42A H -0.1667 0.0643 0.4491 0.056 Uiso 1 1 calc R . .
C43 C -0.4201(5) 0.1329(4) 0.3698(4) 0.0316(17) Uani 1 1 d . . .
C44 C -0.5003(5) 0.1043(5) 0.3123(4) 0.0384(19) Uani 1 1 d . . .
H44A H -0.4965 0.0735 0.2689 0.046 Uiso 1 1 calc R . .
C45 C -0.5855(6) 0.1215(5) 0.3189(5) 0.049(2) Uani 1 1 d . . .
H45A H -0.6394 0.1026 0.2798 0.059 Uiso 1 1 calc R . .
C46 C -0.5916(6) 0.1667(6) 0.3836(5) 0.054(2) Uani 1 1 d . . .
H46A H -0.6494 0.1793 0.3874 0.065 Uiso 1 1 calc R . .
C47 C -0.5121(6) 0.1931(5) 0.4425(5) 0.046(2) Uani 1 1 d . . .
H47A H -0.5160 0.2217 0.4869 0.055 Uiso 1 1 calc R . .
C48 C -0.4265(6) 0.1763(5) 0.4346(4) 0.0398(19) Uani 1 1 d . . .
H48A H -0.3725 0.1948 0.4737 0.048 Uiso 1 1 calc R . .
C49 C -0.3278(5) 0.2848(4) 0.3215(4) 0.0351(18) Uani 1 1 d . . .
C50 C -0.2535(6) 0.3401(4) 0.3486(5) 0.044(2) Uani 1 1 d . . .
H50A H -0.1972 0.3310 0.3397 0.053 Uiso 1 1 calc R . .
C51 C -0.2629(8) 0.4063(5) 0.3875(6) 0.062(3) Uani 1 1 d . . .
H51A H -0.2129 0.4426 0.4061 0.074 Uiso 1 1 calc R . .
C52 C -0.3476(9) 0.4202(5) 0.3997(6) 0.070(3) Uani 1 1 d . . .
H52A H -0.3544 0.4662 0.4261 0.084 Uiso 1 1 calc R . .
C53 C -0.4210(8) 0.3669(5) 0.3732(6) 0.061(3) Uani 1 1 d . . .
H53A H -0.4776 0.3768 0.3813 0.074 Uiso 1 1 calc R . .
C54 C -0.4115(6) 0.2988(5) 0.3346(4) 0.042(2) Uani 1 1 d . . .
H54A H -0.4611 0.2622 0.3173 0.050 Uiso 1 1 calc R . .
C55 C -0.4085(5) 0.1600(4) 0.1952(4) 0.0274(15) Uani 1 1 d . . .
C56 C -0.4199(5) 0.0871(4) 0.1583(4) 0.0324(17) Uani 1 1 d . . .
H56A H -0.3799 0.0549 0.1783 0.039 Uiso 1 1 calc R . .
C57 C -0.4914(5) 0.0614(5) 0.0911(4) 0.0359(18) Uani 1 1 d . . .
H57A H -0.4981 0.0123 0.0664 0.043 Uiso 1 1 calc R . .
C58 C -0.5510(5) 0.1079(5) 0.0615(4) 0.044(2) Uani 1 1 d . . .
H58A H -0.5992 0.0904 0.0175 0.053 Uiso 1 1 calc R . .
C59 C -0.5397(6) 0.1821(5) 0.0975(5) 0.048(2) Uani 1 1 d . . .
H59A H -0.5797 0.2140 0.0768 0.057 Uiso 1 1 calc R . .
C60 C -0.4696(5) 0.2080(5) 0.1637(4) 0.0377(18) Uani 1 1 d . . .
H60A H -0.4625 0.2573 0.1877 0.045 Uiso 1 1 calc R . .
C61 C 0.0085(5) 0.1224(4) 0.1549(4) 0.0306(17) Uani 1 1 d . . .
C62 C 0.0733(5) 0.1346(4) 0.2255(4) 0.0317(17) Uani 1 1 d . . .
H62A H 0.0626 0.1669 0.2652 0.038 Uiso 1 1 calc R . .
C63 C 0.1537(5) 0.0988(4) 0.2371(5) 0.0368(19) Uani 1 1 d . . .
H63A H 0.1951 0.1055 0.2849 0.044 Uiso 1 1 calc R . .
C64 C 0.1723(5) 0.0530(4) 0.1774(5) 0.042(2) Uani 1 1 d . . .
H64A H 0.2267 0.0298 0.1849 0.051 Uiso 1 1 calc R . .
C65 C 0.1098(5) 0.0423(4) 0.1074(5) 0.0351(18) Uani 1 1 d . . .
H65A H 0.1227 0.0124 0.0674 0.042 Uiso 1 1 calc R . .
C66 C 0.0270(5) 0.0758(4) 0.0957(4) 0.0309(16) Uani 1 1 d . . .
H66A H -0.0157 0.0670 0.0482 0.037 Uiso 1 1 calc R . .
C67 C -0.1659(5) 0.1470(4) 0.0484(4) 0.0290(16) Uani 1 1 d . . .
C68 C -0.2597(5) 0.1220(4) 0.0305(4) 0.0362(18) Uani 1 1 d . . .
H68A H -0.2848 0.1180 0.0683 0.043 Uiso 1 1 calc R . .
C69 C -0.3159(5) 0.1032(5) -0.0426(5) 0.042(2) Uani 1 1 d . . .
H69A H -0.3781 0.0860 -0.0535 0.050 Uiso 1 1 calc R . .
C70 C -0.2809(6) 0.1095(5) -0.0992(4) 0.0406(19) Uani 1 1 d . . .
H70A H -0.3188 0.0962 -0.1484 0.049 Uiso 1 1 calc R . .
C71 C -0.1879(5) 0.1359(4) -0.0821(4) 0.0365(18) Uani 1 1 d . . .
H71A H -0.1638 0.1405 -0.1203 0.044 Uiso 1 1 calc R . .
C72 C -0.1315(5) 0.1551(4) -0.0101(4) 0.0316(17) Uani 1 1 d . . .
H72A H -0.0699 0.1738 0.0004 0.038 Uiso 1 1 calc R . .
C73 C -0.2046(6) 0.4435(5) -0.0492(5) 0.047(2) Uani 1 1 d . . .
C76 C -0.1780(10) 0.5953(7) -0.0245(8) 0.085(4) Uani 1 1 d . . .
H76 H -0.1660 0.6459 -0.0155 0.102 Uiso 1 1 calc R B 1
C74 C -0.2625(16) 0.4912(13) -0.0137(15) 0.064(7) Uani 0.50 1 d P C 1
H74 H -0.3107 0.4697 -0.0017 0.077 Uiso 0.50 1 calc PR C 1
C75 C -0.2472(16) 0.5684(14) 0.0026(18) 0.074(9) Uani 0.50 1 d P C 1
H75 H -0.2795 0.5989 0.0288 0.089 Uiso 0.50 1 calc PR C 1
C77 C -0.133(2) 0.5581(17) -0.0586(18) 0.064(8) Uani 0.50 1 d P C 1
H77 H -0.0905 0.5805 -0.0760 0.077 Uiso 0.50 1 calc PR C 1
C78 C -0.1446(19) 0.4819(13) -0.0712(14) 0.054(6) Uani 0.50 1 d P C 1
H78 H -0.1084 0.4554 -0.0969 0.065 Uiso 0.50 1 calc PR C 1
C74' C -0.208(2) 0.4808(12) 0.0137(14) 0.069(7) Uani 0.50 1 d P C 2
H74' H -0.2206 0.4595 0.0497 0.083 Uiso 0.50 1 calc PR C 2
C75' C -0.192(2) 0.5594(15) 0.0230(18) 0.085(9) Uani 0.50 1 d P C 2
H75' H -0.1904 0.5879 0.0689 0.102 Uiso 0.50 1 calc PR C 2
C77' C -0.1753(19) 0.5484(17) -0.092(2) 0.075(10) Uani 0.50 1 d P C 2
H77' H -0.1646 0.5704 -0.1284 0.090 Uiso 0.50 1 calc PR C 2
C78' C -0.1878(18) 0.4717(15) -0.1085(17) 0.063(7) Uani 0.50 1 d P C 2
H78' H -0.1855 0.4420 -0.1530 0.076 Uiso 0.50 1 calc PR C 2
C79 C -0.1687(6) 0.3041(4) -0.1291(5) 0.0393(19) Uani 1 1 d . . .
C80 C -0.0741(6) 0.2990(5) -0.1038(6) 0.049(2) Uani 1 1 d . C .
H80 H -0.0417 0.3175 -0.0537 0.058 Uiso 1 1 calc R . .
C81 C -0.0276(7) 0.2676(5) -0.1507(6) 0.058(3) Uani 1 1 d . . .
H81 H 0.0366 0.2665 -0.1330 0.070 Uiso 1 1 calc R C .
C82 C -0.0758(8) 0.2370(5) -0.2255(6) 0.061(3) Uani 1 1 d . C .
H82 H -0.0440 0.2151 -0.2577 0.073 Uiso 1 1 calc R . .
C83 C -0.1713(8) 0.2396(6) -0.2513(6) 0.062(3) Uani 1 1 d . . .
H83 H -0.2043 0.2183 -0.3007 0.075 Uiso 1 1 calc R C .
C84 C -0.2176(6) 0.2741(5) -0.2034(5) 0.050(2) Uani 1 1 d . C .
H84 H -0.2813 0.2771 -0.2210 0.060 Uiso 1 1 calc R . .
C85 C -0.3493(6) 0.3226(5) -0.1064(5) 0.043(2) Uani 1 1 d . . .
C86 C -0.3981(6) 0.3549(5) -0.1615(5) 0.050(2) Uani 1 1 d . C .
H86 H -0.3681 0.3914 -0.1749 0.061 Uiso 1 1 calc R . .
C87 C -0.4934(7) 0.3329(6) -0.1977(6) 0.061(3) Uani 1 1 d . . .
H87 H -0.5261 0.3543 -0.2355 0.073 Uiso 1 1 calc R C .
C88 C -0.5376(7) 0.2802(6) -0.1772(7) 0.066(3) Uani 1 1 d . C .
H88 H -0.6005 0.2652 -0.2017 0.080 Uiso 1 1 calc R . .
C89 C -0.4898(7) 0.2486(6) -0.1201(7) 0.066(3) Uani 1 1 d . . .
H89 H -0.5205 0.2137 -0.1052 0.079 Uiso 1 1 calc R C .
C90 C -0.3946(6) 0.2700(5) -0.0853(6) 0.056(3) Uani 1 1 d . C .
H90 H -0.3617 0.2486 -0.0475 0.067 Uiso 1 1 calc R . .
C91 C 0.7048(10) 0.0318(9) 0.6223(8) 0.130(6) Uani 1 1 d D . .
H91A H 0.7610 0.0627 0.6317 0.195 Uiso 1 1 calc R . .
H91B H 0.7171 -0.0186 0.6134 0.195 Uiso 1 1 calc R . .
H91C H 0.6826 0.0431 0.6648 0.195 Uiso 1 1 calc R . .
C92 C 0.6299(7) 0.0452(7) 0.5533(6) 0.075(3) Uani 1 1 d D . .
H92A H 0.6186 0.0964 0.5622 0.090 Uiso 1 1 calc R . .
H92B H 0.6532 0.0348 0.5108 0.090 Uiso 1 1 calc R . .
C93 C 0.5390(6) -0.0020(7) 0.5352(5) 0.099(5) Uani 1 1 d D . .
H93A H 0.5153 0.0111 0.5772 0.119 Uiso 1 1 calc R . .
H93B H 0.5527 -0.0526 0.5310 0.119 Uiso 1 1 calc R . .
C94 C 0.7207(19) 0.5078(15) 0.1594(11) 0.096(8) Uiso 0.50 1 d PD . .
H94A H 0.7096 0.4577 0.1318 0.145 Uiso 0.50 1 calc PR . .
H94B H 0.7810 0.5282 0.1617 0.145 Uiso 0.50 1 calc PR . .
H94C H 0.6737 0.5354 0.1353 0.145 Uiso 0.50 1 calc PR . .
C95 C 0.7171(15) 0.5110(8) 0.2373(10) 0.066(6) Uiso 0.50 1 d PD . .
H95A H 0.7644 0.4835 0.2629 0.080 Uiso 0.50 1 calc PR . .
H95B H 0.6565 0.4911 0.2363 0.080 Uiso 0.50 1 calc PR . .
C96 C 0.7357(12) 0.5921(7) 0.2755(8) 0.040(4) Uiso 0.50 1 d PD . .
H96A H 0.7985 0.6108 0.2804 0.048 Uiso 0.50 1 calc PR . .
H96B H 0.6919 0.6201 0.2472 0.048 Uiso 0.50 1 calc PR . .
C97 C 0.7233(16) 0.5972(9) 0.3516(9) 0.071(6) Uiso 0.50 1 d PD . .
H97A H 0.7692 0.5707 0.3799 0.085 Uiso 0.50 1 calc PR . .
H97B H 0.6619 0.5749 0.3458 0.085 Uiso 0.50 1 calc PR . .
C98 C 0.7348(14) 0.6771(9) 0.3935(10) 0.058(5) Uiso 0.50 1 d PD . .
H98A H 0.6911 0.7052 0.3655 0.069 Uiso 0.50 1 calc PR . .
H98B H 0.7977 0.6994 0.4040 0.069 Uiso 0.50 1 calc PR . .
C99 C 0.7139(17) 0.6720(14) 0.4654(11) 0.083(7) Uiso 0.50 1 d PD . .
H99A H 0.7188 0.7204 0.4959 0.125 Uiso 0.50 1 calc PR . .
H99B H 0.7579 0.6438 0.4919 0.125 Uiso 0.50 1 calc PR . .
H99C H 0.6520 0.6487 0.4534 0.125 Uiso 0.50 1 calc PR . .
C100 C 0.544(3) 0.6179(16) -0.104(2) 0.051(9) Uiso 0.25 1 d PD . .
H10A H 0.5552 0.6139 -0.1510 0.076 Uiso 0.25 1 calc PR . .
H10B H 0.5897 0.6533 -0.0664 0.076 Uiso 0.25 1 calc PR . .
H10C H 0.4828 0.6333 -0.1078 0.076 Uiso 0.25 1 calc PR . .
C101 C 0.549(3) 0.5432(17) -0.0835(19) 0.062(11) Uiso 0.25 1 d PD . .
H10D H 0.6113 0.5287 -0.0797 0.074 Uiso 0.25 1 calc PR . .
H10E H 0.5057 0.5075 -0.1239 0.074 Uiso 0.25 1 calc PR . .
C102 C 0.529(3) 0.5400(16) -0.0109(17) 0.049(9) Uiso 0.25 1 d PD . .
H10F H 0.4690 0.5584 -0.0126 0.059 Uiso 0.25 1 calc PR . .
H10G H 0.5759 0.5721 0.0303 0.059 Uiso 0.25 1 calc PR . .
C103 C 0.527(2) 0.4627(15) 0.0038(17) 0.043(8) Uiso 0.25 1 d PD . .
H10H H 0.4741 0.4328 -0.0344 0.051 Uiso 0.25 1 calc PR . .
H10I H 0.5827 0.4420 -0.0024 0.051 Uiso 0.25 1 calc PR . .
C104 C 0.520(3) 0.4553(17) 0.0797(18) 0.074(13) Uiso 0.25 1 d PD . .
H10J H 0.4651 0.4761 0.0886 0.089 Uiso 0.25 1 calc PR . .
H10K H 0.5747 0.4801 0.1194 0.089 Uiso 0.25 1 calc PR . .
C105 C 0.513(3) 0.3724(16) 0.075(2) 0.054(9) Uiso 0.25 1 d PD . .
H10L H 0.5097 0.3639 0.1220 0.081 Uiso 0.25 1 calc PR . .
H10M H 0.5667 0.3525 0.0652 0.081 Uiso 0.25 1 calc PR . .
H10N H 0.4577 0.3489 0.0364 0.081 Uiso 0.25 1 calc PR . .
C106 C 0.606(2) 0.542(2) 0.7789(19) 0.056(10) Uiso 0.25 1 d PD . .
H10O H 0.6277 0.5546 0.8323 0.084 Uiso 0.25 1 calc PR . .
H10P H 0.5539 0.5049 0.7622 0.084 Uiso 0.25 1 calc PR . .
H10Q H 0.5860 0.5849 0.7610 0.084 Uiso 0.25 1 calc PR . .
C107 C 0.684(2) 0.513(2) 0.7489(15) 0.054(9) Uiso 0.25 1 d PD . .
H10R H 0.7000 0.4683 0.7643 0.064 Uiso 0.25 1 calc PR . .
H10S H 0.7387 0.5489 0.7714 0.064 Uiso 0.25 1 calc PR . .
C108 C 0.661(2) 0.499(2) 0.6640(15) 0.095(16) Uiso 0.25 1 d PD . .
H10T H 0.6349 0.5404 0.6461 0.114 Uiso 0.25 1 calc PR . .
H10U H 0.6161 0.4559 0.6403 0.114 Uiso 0.25 1 calc PR . .
C109 C 0.753(2) 0.4856(14) 0.6459(19) 0.062(11) Uiso 0.25 1 d PD . .
H10V H 0.7502 0.4970 0.5986 0.074 Uiso 0.25 1 calc PR . .
H10W H 0.8052 0.5163 0.6843 0.074 Uiso 0.25 1 calc PR . .
C110 C 0.7664(19) 0.4050(14) 0.643(2) 0.080(14) Uiso 0.25 1 d PD . .
H11A H 0.7902 0.3983 0.6930 0.096 Uiso 0.25 1 calc PR . .
H11B H 0.8128 0.3915 0.6179 0.096 Uiso 0.25 1 calc PR . .
C111 C 0.6770(19) 0.3531(14) 0.6018(17) 0.037(7) Uiso 0.25 1 d PD . .
H11C H 0.6921 0.3033 0.5946 0.056 Uiso 0.25 1 calc PR . .
H11D H 0.6480 0.3640 0.5544 0.056 Uiso 0.25 1 calc PR . .
H11E H 0.6349 0.3596 0.6310 0.056 Uiso 0.25 1 calc PR . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C7 Pt1 C1 82.9(3) . . ?
C7 Pt1 P2 177.70(19) . . ?
C1 Pt1 P2 94.8(2) . . ?
C7 Pt1 P1 91.89(19) . . ?
C1 Pt1 P1 173.7(2) . . ?
P2 Pt1 P1 90.40(7) . . ?
C19 Pt2 C13 89.5(3) . . ?
C19 Pt2 P4 95.3(2) . . ?
C13 Pt2 P4 174.2(2) . . ?
C19 Pt2 Br 178.1(2) . . ?
C13 Pt2 Br 92.3(2) . . ?
P4 Pt2 Br 82.85(5) . . ?
C19 Pt2 Ag 116.0(2) . . ?
C13 Pt2 Ag 96.5(2) . . ?
P4 Pt2 Ag 84.31(5) . . ?
Br Pt2 Ag 63.35(2) . . ?
C19 Pt2 Pd 127.1(2) . . ?
C13 Pt2 Pd 128.3(2) . . ?
P4 Pt2 Pd 45.92(5) . . ?
Br Pt2 Pd 51.708(19) . . ?
Ag Pt2 Pd 96.93(2) . . ?
P1 Pd P3 90.81(7) . . ?
P1 Pd P4 99.32(7) . . ?
P3 Pd P4 168.53(7) . . ?
P1 Pd Br 178.03(5) . . ?
P3 Pd Br 88.56(5) . . ?
P4 Pd Br 81.13(5) . . ?
P1 Pd Pt2 131.25(5) . . ?
P3 Pd Pt2 129.49(5) . . ?
P4 Pd Pt2 45.17(5) . . ?
Br Pd Pt2 50.26(2) . . ?
P5 Ag Pt2 159.00(6) . . ?
P5 Ag Br 137.31(6) . . ?
Pt2 Ag Br 54.81(2) . . ?
Pt2 Br Pd 78.04(2) . . ?
Pt2 Br Ag 61.84(2) . . ?
Pd Br Ag 113.09(3) . . ?
C25 P1 C31 106.7(3) . . ?
C25 P1 Pd 109.3(2) . . ?
C31 P1 Pd 104.2(2) . . ?
C25 P1 Pt1 109.0(2) . . ?
C31 P1 Pt1 108.1(2) . . ?
Pd P1 Pt1 118.86(8) . . ?
C37 P2 C43 106.2(4) . . ?
C37 P2 P3 105.6(3) . . ?
C43 P2 P3 101.9(2) . . ?
C37 P2 Pt1 113.4(3) . . ?
C43 P2 Pt1 123.0(3) . . ?
P3 P2 Pt1 104.79(9) . . ?
C49 P3 C55 107.0(3) . . ?
C49 P3 P2 107.8(3) . . ?
C55 P3 P2 104.9(2) . . ?
C49 P3 Pd 122.0(3) . . ?
C55 P3 Pd 99.2(2) . . ?
P2 P3 Pd 113.93(9) . . ?
C61 P4 C67 107.3(3) . . ?
C61 P4 Pt2 114.4(2) . . ?
C67 P4 Pt2 113.3(2) . . ?
C61 P4 Pd 124.9(2) . . ?
C67 P4 Pd 107.1(2) . . ?
Pt2 P4 Pd 88.91(7) . . ?
C73 P5 C79 106.2(4) . . ?
C73 P5 C85 105.4(4) . . ?
C79 P5 C85 106.2(4) . . ?
C73 P5 Ag 113.8(3) . . ?
C79 P5 Ag 111.5(3) . . ?
C85 P5 Ag 113.1(3) . . ?
C2 C1 C6 113.5(6) . . ?
C2 C1 Pt1 121.6(5) . . ?
C6 C1 Pt1 124.0(5) . . ?
F1 C2 C3 116.2(6) . . ?
F1 C2 C1 119.5(6) . . ?
C3 C2 C1 124.3(7) . . ?
F2 C3 C4 119.8(7) . . ?
F2 C3 C2 120.2(7) . . ?
C4 C3 C2 119.9(7) . . ?
F3 C4 C3 121.0(7) . . ?
F3 C4 C5 120.8(7) . . ?
C3 C4 C5 118.3(7) . . ?
F4 C5 C6 121.2(7) . . ?
F4 C5 C4 118.6(7) . . ?
C6 C5 C4 120.2(7) . . ?
C5 C6 F5 116.5(6) . . ?
C5 C6 C1 123.8(7) . . ?
F5 C6 C1 119.7(6) . . ?
C8 C7 C12 114.2(7) . . ?
C8 C7 Pt1 124.2(5) . . ?
C12 C7 Pt1 121.5(5) . . ?
F6 C8 C9 115.8(6) . . ?
F6 C8 C7 120.3(6) . . ?
C9 C8 C7 123.9(7) . . ?
F7 C9 C10 120.5(7) . . ?
F7 C9 C8 120.4(7) . . ?
C10 C9 C8 119.1(7) . . ?
F8 C10 C9 119.9(8) . . ?
F8 C10 C11 120.5(8) . . ?
C9 C10 C11 119.7(8) . . ?
F9 C11 C12 121.0(7) . . ?
F9 C11 C10 119.8(8) . . ?
C12 C11 C10 119.2(7) . . ?
F10 C12 C11 115.7(6) . . ?
F10 C12 C7 120.4(7) . . ?
C11 C12 C7 123.9(7) . . ?
C14 C13 C14' 13.0(11) . . ?
C14 C13 C18' 100.6(7) . . ?
C14' C13 C18' 112.9(7) . . ?
C14 C13 C18 115.0(7) . . ?
C14' C13 C18 127.3(7) . . ?
C18' C13 C18 14.4(3) . . ?
C14 C13 Pt2 127.3(6) . . ?
C14' C13 Pt2 115.2(6) . . ?
C18' C13 Pt2 131.8(6) . . ?
C18 C13 Pt2 117.4(5) . . ?
C13 C14 F11 121.2(8) . . ?
C13 C14 C15 123.9(8) . . ?
F11 C14 C15 114.8(7) . . ?
C16 C15 F12 122.2(8) . . ?
C16 C15 C14 118.3(8) . . ?
F12 C15 C14 119.5(9) . . ?
C15 C16 F13 120.1(8) . . ?
C15 C16 C17 121.7(7) . . ?
F13 C16 C17 118.1(9) . . ?
F14 C17 C16 120.4(8) . . ?
F14 C17 C18 121.2(8) . . ?
C16 C17 C18 118.2(8) . . ?
F15 C18 C17 116.5(7) . . ?
F15 C18 C13 120.7(7) . . ?
C17 C18 C13 122.7(8) . . ?
C13 C14' F11' 121.4(8) . . ?
C13 C14' C15' 124.9(9) . . ?
F11' C14' C15' 113.7(8) . . ?
C16' C15' F12' 121.2(9) . . ?
C16' C15' C14' 118.5(8) . . ?
F12' C15' C14' 120.2(9) . . ?
C15' C16' F13' 120.4(9) . . ?
C15' C16' C17' 120.6(8) . . ?
F13' C16' C17' 118.7(9) . . ?
F14' C17' C18' 121.3(9) . . ?
F14' C17' C16' 119.5(8) . . ?
C18' C17' C16' 119.0(8) . . ?
F15' C18' C17' 117.3(8) . . ?
F15' C18' C13 118.6(8) . . ?
C17' C18' C13 123.6(8) . . ?
C20 C19 C24 114.1(6) . . ?
C20 C19 Pt2 122.5(6) . . ?
C24 C19 Pt2 123.3(5) . . ?
C19 C20 F16 120.3(6) . . ?
C19 C20 C21 124.2(8) . . ?
F16 C20 C21 115.5(7) . . ?
C22 C21 F17 120.9(7) . . ?
C22 C21 C20 118.8(7) . . ?
F17 C21 C20 120.2(8) . . ?
C21 C22 F18 120.3(7) . . ?
C21 C22 C23 120.7(7) . . ?
F18 C22 C23 118.9(8) . . ?
F19 C23 C22 120.6(7) . . ?
F19 C23 C24 120.7(7) . . ?
C22 C23 C24 118.7(7) . . ?
F20 C24 C23 116.3(6) . . ?
F20 C24 C19 120.2(6) . . ?
C23 C24 C19 123.5(7) . . ?
C26 C25 C30 117.7(7) . . ?
C26 C25 P1 125.3(6) . . ?
C30 C25 P1 116.8(6) . . ?
C25 C26 C27 120.9(8) . . ?
C28 C27 C26 121.0(8) . . ?
C27 C28 C29 118.7(8) . . ?
C30 C29 C28 120.4(8) . . ?
C29 C30 C25 121.1(7) . . ?
C36 C31 C32 119.3(7) . . ?
C36 C31 P1 119.9(5) . . ?
C32 C31 P1 120.7(6) . . ?
C33 C32 C31 119.3(7) . . ?
C32 C33 C34 122.5(8) . . ?
C35 C34 C33 118.2(7) . . ?
C34 C35 C36 120.6(7) . . ?
C31 C36 C35 120.0(7) . . ?
C38 C37 C42 119.5(7) . . ?
C38 C37 P2 124.1(6) . . ?
C42 C37 P2 116.4(6) . . ?
C37 C38 C39 119.6(9) . . ?
C40 C39 C38 121.0(9) . . ?
C41 C40 C39 119.4(8) . . ?
C40 C41 C42 120.2(9) . . ?
C37 C42 C41 120.4(9) . . ?
C48 C43 C44 119.6(7) . . ?
C48 C43 P2 122.3(6) . . ?
C44 C43 P2 117.7(6) . . ?
C45 C44 C43 120.0(8) . . ?
C44 C45 C46 120.2(8) . . ?
C47 C46 C45 120.1(8) . . ?
C46 C47 C48 119.0(8) . . ?
C43 C48 C47 121.0(8) . . ?
C54 C49 C50 119.4(8) . . ?
C54 C49 P3 122.3(6) . . ?
C50 C49 P3 118.1(6) . . ?
C51 C50 C49 120.6(9) . . ?
C50 C51 C52 119.6(10) . . ?
C53 C52 C51 120.5(9) . . ?
C52 C53 C54 120.2(10) . . ?
C53 C54 C49 119.7(9) . . ?
C56 C55 C60 118.8(7) . . ?
C56 C55 P3 119.5(5) . . ?
C60 C55 P3 121.2(6) . . ?
C55 C56 C57 120.6(7) . . ?
C58 C57 C56 120.2(8) . . ?
C57 C58 C59 120.1(7) . . ?
C60 C59 C58 120.1(8) . . ?
C59 C60 C55 120.2(8) . . ?
C66 C61 C62 119.0(7) . . ?
C66 C61 P4 124.4(6) . . ?
C62 C61 P4 116.4(6) . . ?
C63 C62 C61 120.5(7) . . ?
C62 C63 C64 120.1(7) . . ?
C65 C64 C63 119.6(7) . . ?
C64 C65 C66 120.7(8) . . ?
C61 C66 C65 120.0(7) . . ?
C68 C67 C72 118.0(7) . . ?
C68 C67 P4 120.4(6) . . ?
C72 C67 P4 121.5(5) . . ?
C69 C68 C67 120.8(8) . . ?
C70 C69 C68 120.7(7) . . ?
C69 C70 C71 119.1(7) . . ?
C72 C71 C70 120.9(7) . . ?
C71 C72 C67 120.4(7) . . ?
C74' C73 C78 107.9(18) . . ?
C74' C73 C78' 127.2(18) . . ?
C78 C73 C78' 33.1(12) . . ?
C74' C73 C74 36.6(13) . . ?
C78 C73 C74 112.3(16) . . ?
C78' C73 C74 110.2(17) . . ?
C74' C73 P5 113.9(13) . . ?
C78 C73 P5 129.0(13) . . ?
C78' C73 P5 118.9(14) . . ?
C74 C73 P5 118.6(11) . . ?
C77 C76 C75' 106(2) . . ?
C77 C76 C75 126(2) . . ?
C75' C76 C75 36.3(14) . . ?
C77 C76 C77' 31.9(14) . . ?
C75' C76 C77' 113.0(19) . . ?
C75 C76 C77' 112.1(17) . . ?
C75 C74 C73 122(2) . . ?
C74 C75 C76 114(2) . . ?
C76 C77 C78 120(3) . . ?
C73 C78 C77 125(2) . . ?
C73 C74' C75' 113(2) . . ?
C76 C75' C74' 129(3) . . ?
C78' C77' C76 125(3) . . ?
C77' C78' C73 113(3) . . ?
C80 C79 C84 119.3(8) . . ?
C80 C79 P5 117.5(7) . . ?
C84 C79 P5 123.0(7) . . ?
C81 C80 C79 121.1(9) . . ?
C80 C81 C82 120.2(9) . . ?
C83 C82 C81 119.4(10) . . ?
C84 C83 C82 119.9(10) . . ?
C83 C84 C79 120.0(9) . . ?
C86 C85 C90 119.7(8) . . ?
C86 C85 P5 122.0(6) . . ?
C90 C85 P5 118.3(7) . . ?
C85 C86 C87 120.2(8) . . ?
C88 C87 C86 119.8(9) . . ?
C87 C88 C89 120.6(9) . . ?
C88 C89 C90 119.0(9) . . ?
C85 C90 C89 120.6(9) . . ?
C93 C92 C91 112.3(9) . . ?
C92 C93 C93 117.7(12) . 2_656 ?
C94 C95 C96 104.7(16) . . ?
C97 C96 C95 105.5(12) . . ?
C96 C97 C98 110.2(13) . . ?
C97 C98 C99 103.0(15) . . ?
C100 C101 C102 116(3) . . ?
C101 C102 C103 114(2) . . ?
C104 C103 C102 118(2) . . ?
C103 C104 C105 105(3) . . ?
C106 C107 C108 114.8(18) . . ?
C107 C108 C109 107.0(17) . . ?
C110 C109 C108 106.6(17) . . ?
C109 C110 C111 114.1(18) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C7 2.066(7) . ?
Pt1 C1 2.074(7) . ?
Pt1 P2 2.276(2) . ?
Pt1 P1 2.3687(18) . ?
Pt2 C19 1.994(6) . ?
Pt2 C13 2.047(6) . ?
Pt2 P4 2.3025(19) . ?
Pt2 Br 2.5512(8) . ?
Pt2 Ag 2.7519(8) . ?
Pt2 Pd 3.2458(6) . ?
Pd P1 2.3037(19) . ?
Pd P3 2.320(2) . ?
Pd P4 2.3321(19) . ?
Pd Br 2.6040(9) . ?
Ag P5 2.372(2) . ?
Ag Br 2.7899(11) . ?
P1 C25 1.832(8) . ?
P1 C31 1.844(7) . ?
P2 C37 1.819(7) . ?
P2 C43 1.834(7) . ?
P2 P3 2.234(3) . ?
P3 C49 1.821(8) . ?
P3 C55 1.822(7) . ?
P4 C61 1.816(7) . ?
P4 C67 1.841(7) . ?
P5 C73 1.812(9) . ?
P5 C79 1.815(9) . ?
P5 C85 1.819(8) . ?
C1 C2 1.381(10) . ?
C1 C6 1.389(10) . ?
C2 F1 1.358(8) . ?
C2 C3 1.371(10) . ?
C3 F2 1.358(8) . ?
C3 C4 1.367(10) . ?
C4 F3 1.343(8) . ?
C4 C5 1.376(11) . ?
C5 F4 1.359(8) . ?
C5 C6 1.367(10) . ?
C6 F5 1.369(8) . ?
C7 C8 1.379(10) . ?
C7 C12 1.384(10) . ?
C8 F6 1.365(8) . ?
C8 C9 1.377(11) . ?
C9 F7 1.348(9) . ?
C9 C10 1.368(12) . ?
C10 F8 1.353(10) . ?
C10 C11 1.372(12) . ?
C11 F9 1.348(9) . ?
C11 C12 1.371(11) . ?
C12 F10 1.360(8) . ?
C13 C14 1.335(10) . ?
C13 C14' 1.357(10) . ?
C13 C18' 1.414(10) . ?
C13 C18 1.416(9) . ?
C14 F11 1.366(10) . ?
C14 C15 1.414(11) . ?
C15 C16 1.333(12) . ?
C15 F12 1.337(9) . ?
C16 F13 1.372(8) . ?
C16 C17 1.374(12) . ?
C17 F14 1.352(9) . ?
C17 C18 1.375(10) . ?
C18 F15 1.351(9) . ?
C14' F11' 1.363(10) . ?
C14' C15' 1.411(11) . ?
C15' C16' 1.331(12) . ?
C15' F12' 1.345(10) . ?
C16' F13' 1.373(9) . ?
C16' C17' 1.375(12) . ?
C17' F14' 1.352(10) . ?
C17' C18' 1.373(10) . ?
C18' F15' 1.354(9) . ?
C19 C20 1.354(9) . ?
C19 C24 1.404(9) . ?
C20 F16 1.362(9) . ?
C20 C21 1.406(10) . ?
C21 C22 1.337(11) . ?
C21 F17 1.343(8) . ?
C22 F18 1.369(8) . ?
C22 C23 1.373(11) . ?
C23 F19 1.352(9) . ?
C23 C24 1.377(9) . ?
C24 F20 1.357(8) . ?
C25 C26 1.379(10) . ?
C25 C30 1.401(11) . ?
C26 C27 1.390(12) . ?
C27 C28 1.374(13) . ?
C28 C29 1.388(12) . ?
C29 C30 1.380(11) . ?
C31 C36 1.385(10) . ?
C31 C32 1.398(10) . ?
C32 C33 1.375(11) . ?
C33 C34 1.383(11) . ?
C34 C35 1.380(11) . ?
C35 C36 1.407(10) . ?
C37 C38 1.375(12) . ?
C37 C42 1.389(11) . ?
C38 C39 1.399(11) . ?
C39 C40 1.385(13) . ?
C40 C41 1.364(13) . ?
C41 C42 1.400(11) . ?
C43 C48 1.373(11) . ?
C43 C44 1.379(10) . ?
C44 C45 1.371(11) . ?
C45 C46 1.386(12) . ?
C46 C47 1.378(12) . ?
C47 C48 1.385(11) . ?
C49 C54 1.383(11) . ?
C49 C50 1.398(11) . ?
C50 C51 1.345(12) . ?
C51 C52 1.391(15) . ?
C52 C53 1.366(15) . ?
C53 C54 1.373(12) . ?
C55 C56 1.382(10) . ?
C55 C60 1.410(10) . ?
C56 C57 1.401(10) . ?
C57 C58 1.363(11) . ?
C58 C59 1.399(12) . ?
C59 C60 1.380(11) . ?
C61 C66 1.390(10) . ?
C61 C62 1.393(10) . ?
C62 C63 1.389(10) . ?
C63 C64 1.392(12) . ?
C64 C65 1.372(11) . ?
C65 C66 1.398(10) . ?
C67 C68 1.394(10) . ?
C67 C72 1.407(10) . ?
C68 C69 1.380(11) . ?
C69 C70 1.371(12) . ?
C70 C71 1.392(11) . ?
C71 C72 1.365(10) . ?
C73 C74' 1.29(2) . ?
C73 C78 1.35(3) . ?
C73 C78' 1.44(3) . ?
C73 C74 1.48(3) . ?
C76 C77 1.22(4) . ?
C76 C75' 1.30(4) . ?
C76 C75 1.42(3) . ?
C76 C77' 1.43(4) . ?
C74 C75 1.41(4) . ?
C77 C78 1.39(4) . ?
C74' C75' 1.45(4) . ?
C77' C78' 1.40(4) . ?
C79 C80 1.381(12) . ?
C79 C84 1.389(12) . ?
C80 C81 1.355(13) . ?
C81 C82 1.398(15) . ?
C82 C83 1.387(14) . ?
C83 C84 1.385(13) . ?
C85 C86 1.372(12) . ?
C85 C90 1.376(11) . ?
C86 C87 1.405(12) . ?
C87 C88 1.362(13) . ?
C88 C89 1.388(14) . ?
C89 C90 1.399(13) . ?
C91 C92 1.547(9) . ?
C92 C93 1.515(9) . ?
C93 C93 1.534(10) 2_656 ?
C94 C95 1.511(10) . ?
C95 C96 1.522(10) . ?
C96 C97 1.519(10) . ?
C97 C98 1.524(10) . ?
C98 C99 1.532(10) . ?
C100 C101 1.533(10) . ?
C101 C102 1.535(10) . ?
C102 C103 1.537(10) . ?
C103 C104 1.533(10) . ?
C104 C105 1.539(10) . ?
C106 C107 1.531(10) . ?
C107 C108 1.535(10) . ?
C108 C109 1.549(10) . ?
C109 C110 1.521(10) . ?
C110 C111 1.534(10) . ?
