#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:47:27 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178916 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/45/4114525.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_4114525
loop_
_publ_author_name
'Daewon Hong'
'Scott E. Rathmill'
'Patrick J. Carroll'
'Larry G. Sneddon'
_publ_section_title
;
 Syntheses, Characterizations, and Coordination Chemistry of the 10-Vertex
 Phosphadicarbaboranes 6-R-arachno-6,8,9-PC2B7H11 and
 6-R-arachno-6,5,7-PC2B7H11
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16058
_journal_page_last               16073
_journal_paper_doi               10.1021/ja037799+
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'C35 H67 B28 Br4 P4 Pt2'
_chemical_formula_weight         1624.27
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                102.285(1)
_cell_angle_beta                 109.983(1)
_cell_angle_gamma                78.590(1)
_cell_formula_units_Z            2
_cell_length_a                   15.5744(3)
_cell_length_b                   18.3360(3)
_cell_length_c                   11.3806(2)
_cell_measurement_temperature    200(2)
_cell_volume                     2956.54(9)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SIR92 (Altomare, 1993)'
_diffrn_ambient_temperature      200(2)
_diffrn_measurement_device       'image plate area detector'
_diffrn_measurement_device_type  'Rigaku R-AXIS IIc'
_diffrn_measurement_method       'phi oscillations'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            30754
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.52
_exptl_absorpt_coefficient_mu    7.568
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_F_000             1546
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.912
_refine_diff_density_min         -2.278
_refine_diff_density_rms         0.214
_refine_ls_extinction_coef       0.0038(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.130
_refine_ls_goodness_of_fit_obs   1.134
_refine_ls_matrix_type           full
_refine_ls_number_parameters     659
_refine_ls_number_reflns         12376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_restrained_S_obs      1.134
_refine_ls_R_factor_all          0.0614
_refine_ls_R_factor_obs          0.0550
_refine_ls_shift/esd_max         0.003
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0790P)²+12.4373P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1476
_refine_ls_wR_factor_obs         0.1407
_reflns_number_observed          11206
_reflns_number_total             12376
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja0377992Bsi20030808_011358.cif
_cod_data_source_block           Cmpd_7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0790P)^2^+12.4373P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0790P)^2^+12.4373P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4114525
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Pt Pt 0.01520(2) 0.23348(2) 0.12720(3) 0.03288(10) Uani 1 d .
Br1 Br 0.16757(5) 0.16599(5) 0.12063(10) 0.0481(2) Uani 1 d .
Br2 Br 0.07454(6) 0.23848(6) 0.35915(8) 0.0509(2) Uani 1 d .
P6A P -0.12707(13) 0.26166(12) 0.1477(2) 0.0318(4) Uani 1 d .
B1A B -0.2258(8) 0.3971(7) 0.2922(11) 0.050(3) Uani 1 d .
B2A B -0.1856(8) 0.4591(6) 0.2284(13) 0.054(3) Uani 1 d .
B3A B -0.2757(7) 0.4026(6) 0.1318(11) 0.045(2) Uani 1 d .
B4A B -0.2569(7) 0.3196(6) 0.1847(10) 0.042(2) Uani 1 d .
B8A B -0.1006(8) 0.3957(7) 0.3340(11) 0.051(3) Uani 1 d .
B9A B -0.0788(9) 0.4285(6) 0.2086(12) 0.052(3) Uani 1 d .
B10A B -0.1800(7) 0.4062(6) 0.0743(11) 0.045(2) Uani 1 d .
C5A C -0.2210(6) 0.3253(5) 0.0597(8) 0.038(2) Uani 1 d .
C7A C -0.1488(6) 0.3156(5) 0.2930(8) 0.040(2) Uani 1 d .
C11A C -0.1660(5) 0.1705(5) 0.1233(8) 0.036(2) Uani 1 d .
C12A C -0.1112(6) 0.1183(5) 0.2001(8) 0.043(2) Uani 1 d .
H12A H -0.0567(6) 0.1311(5) 0.2612(8) 0.057 Uiso 1 calc R
C13A C -0.1354(6) 0.0483(5) 0.1881(9) 0.047(2) Uani 1 d .
H13A H -0.0994(6) 0.0149(5) 0.2427(9) 0.062 Uiso 1 calc R
C14A C -0.2142(7) 0.0286(5) 0.0935(10) 0.049(2) Uani 1 d .
H14A H -0.2314(7) -0.0186(5) 0.0844(10) 0.065 Uiso 1 calc R
C15A C -0.2684(6) 0.0783(5) 0.0117(9) 0.045(2) Uani 1 d .
H15A H -0.3199(6) 0.0636(5) -0.0540(9) 0.060 Uiso 1 calc R
C16A C -0.2456(5) 0.1499(5) 0.0281(8) 0.040(2) Uani 1 d .
H16A H -0.2832(5) 0.1841(5) -0.0242(8) 0.053 Uiso 1 calc R
P6B P -0.03298(13) 0.22512(12) -0.0866(2) 0.0317(4) Uani 1 d .
B1B B -0.0415(8) 0.3361(7) -0.2664(12) 0.052(3) Uani 1 d .
B2B B 0.0702(8) 0.3553(7) -0.1717(14) 0.057(3) Uani 1 d .
B3B B 0.0527(7) 0.2681(6) -0.2713(11) 0.046(2) Uani 1 d .
B4B B -0.0502(7) 0.2422(7) -0.2825(10) 0.045(2) Uani 1 d .
B8B B -0.0241(7) 0.3777(6) -0.1039(12) 0.047(2) Uani 1 d .
B9B B 0.0966(8) 0.3538(7) -0.0171(12) 0.053(3) Uani 1 d .
B10B B 0.1286(7) 0.2708(7) -0.1097(11) 0.046(2) Uani 1 d .
C5B C 0.0507(5) 0.2086(5) -0.1748(8) 0.040(2) Uani 1 d .
C7B C -0.0889(5) 0.3071(5) -0.1694(9) 0.039(2) Uani 1 d .
C11B C -0.1030(5) 0.1517(5) -0.1537(7) 0.035(2) Uani 1 d .
C12B C -0.1932(5) 0.1586(6) -0.2353(8) 0.041(2) Uani 1 d .
H12B H -0.2218(5) 0.2054(6) -0.2577(8) 0.055 Uiso 1 calc R
C13B C -0.2408(6) 0.0975(6) -0.2834(9) 0.050(2) Uani 1 d .
H13B H -0.3016(6) 0.1042(6) -0.3358(9) 0.066 Uiso 1 calc R
C14B C -0.2000(7) 0.0262(6) -0.2553(9) 0.052(2) Uani 1 d .
H14B H -0.2320(7) -0.0151(6) -0.2899(9) 0.069 Uiso 1 calc R
C15B C -0.1099(6) 0.0181(5) -0.1741(10) 0.050(2) Uani 1 d .
H15B H -0.0818(6) -0.0293(5) -0.1538(10) 0.067 Uiso 1 calc R
C16B C -0.0617(6) 0.0782(5) -0.1232(8) 0.042(2) Uani 1 d .
H16B H -0.0018(6) 0.0713(5) -0.0685(8) 0.055 Uiso 1 calc R
Pt' Pt 0.54956(2) 0.278531(15) 0.52337(2) 0.02642(10) Uani 1 d .
Br1' Br 0.62129(5) 0.34317(5) 0.74018(7) 0.0373(2) Uani 1 d .
Br2' Br 0.70236(5) 0.26243(5) 0.49190(8) 0.0373(2) Uani 1 d .
P6A' P 0.49376(12) 0.24259(11) 0.3119(2) 0.0268(4) Uani 1 d .
B1A' B 0.5302(7) 0.0936(6) 0.1338(10) 0.041(2) Uani 1 d .
B2A' B 0.5128(7) 0.0423(6) 0.2377(10) 0.042(2) Uani 1 d .
B3A' B 0.4200(7) 0.0977(6) 0.1402(9) 0.039(2) Uani 1 d .
B4A' B 0.4553(6) 0.1748(6) 0.1167(8) 0.037(2) Uani 1 d .
B8A' B 0.6077(7) 0.0995(5) 0.2937(10) 0.039(2) Uani 1 d .
B9A' B 0.5489(7) 0.0801(5) 0.3945(10) 0.043(2) Uani 1 d .
B10C B 0.4281(7) 0.1055(5) 0.3016(9) 0.041(2) Uani 1 d .
C5A' C 0.4033(5) 0.1823(5) 0.2330(7) 0.037(2) Uani 1 d .
C7A' C 0.5647(5) 0.1771(4) 0.2247(7) 0.033(2) Uani 1 d .
C11C C 0.4600(5) 0.3285(4) 0.2418(7) 0.032(2) Uani 1 d .
C12C C 0.5252(5) 0.3763(4) 0.2676(7) 0.032(2) Uani 1 d .
H12C H 0.5839(5) 0.3652(4) 0.3235(7) 0.043 Uiso 1 calc R
C13C C 0.5047(6) 0.4393(5) 0.2122(8) 0.041(2) Uani 1 d .
H13C H 0.5496(6) 0.4702(5) 0.2290(8) 0.054 Uiso 1 calc R
C14C C 0.4172(7) 0.4571(5) 0.1312(8) 0.045(2) Uani 1 d .
H14C H 0.4033(7) 0.5002(5) 0.0939(8) 0.060 Uiso 1 calc R
C15C C 0.3508(7) 0.4119(5) 0.1054(8) 0.047(2) Uani 1 d .
H15C H 0.2919(7) 0.4245(5) 0.0513(8) 0.062 Uiso 1 calc R
C16C C 0.3715(6) 0.3472(5) 0.1602(8) 0.041(2) Uani 1 d .
H16C H 0.3265(6) 0.3163(5) 0.1425(8) 0.054 Uiso 1 calc R
P6B' P 0.40957(12) 0.30389(11) 0.5547(2) 0.0276(4) Uani 1 d .
B1B' B 0.2974(7) 0.2141(6) 0.6440(9) 0.037(2) Uani 1 d .
B2B' B 0.3991(7) 0.1877(6) 0.7640(9) 0.045(2) Uani 1 d .
B3B' B 0.3406(7) 0.2799(6) 0.7710(9) 0.042(2) Uani 1 d .
B4B' B 0.2898(6) 0.3060(5) 0.6256(9) 0.034(2) Uani 1 d .
B8B' B 0.3949(7) 0.1594(5) 0.5962(9) 0.034(2) Uani 1 d .
B9B' B 0.5007(7) 0.1744(6) 0.7310(9) 0.039(2) Uani 1 d .
B10D B 0.4655(8) 0.2665(7) 0.8082(9) 0.046(2) Uani 1 d .
C5B' C 0.3993(6) 0.3306(5) 0.7157(7) 0.038(2) Uani 1 d .
C7B' C 0.3331(5) 0.2334(4) 0.5248(7) 0.0311(15) Uani 1 d .
C11D C 0.3458(5) 0.3815(4) 0.4707(7) 0.032(2) Uani 1 d .
C12D C 0.2540(5) 0.3835(5) 0.3895(8) 0.043(2) Uani 1 d .
H12D H 0.2215(5) 0.3432(5) 0.3745(8) 0.057 Uiso 1 calc R
C13D C 0.2134(6) 0.4470(6) 0.3326(9) 0.050(2) Uani 1 d .
H13D H 0.1527(6) 0.4492(6) 0.2794(9) 0.066 Uiso 1 calc R
C14D C 0.2602(7) 0.5063(6) 0.3527(9) 0.049(2) Uani 1 d .
H14D H 0.2312(7) 0.5485(6) 0.3142(9) 0.066 Uiso 1 calc R
C15D C 0.3500(6) 0.5038(5) 0.4295(9) 0.045(2) Uani 1 d .
H15D H 0.3816(6) 0.5442(5) 0.4417(9) 0.059 Uiso 1 calc R
C16D C 0.3942(5) 0.4424(4) 0.4891(7) 0.033(2) Uani 1 d .
H16D H 0.4552(5) 0.4412(4) 0.5407(7) 0.044 Uiso 1 calc R
C17 C 0.0752(11) 0.0278(8) 0.4941(12) 0.080(4) Uani 1 d .
H17 H 0.1254(11) 0.0465(8) 0.4906(12) 0.106 Uiso 1 calc R
C18 C 0.0747(11) -0.0489(8) 0.4800(13) 0.081(4) Uani 1 d .
H18 H 0.1241(11) -0.0834(8) 0.4660(13) 0.108 Uiso 1 calc R
C19 C -0.0038(10) -0.0730(8) 0.4875(11) 0.072(3) Uani 1 d .
H19 H -0.0044(10) -0.1245(8) 0.4788(11) 0.096 Uiso 1 calc R
H1A H -0.2554 0.4148 0.3691 0.060 Uiso 1 d .
H2A H -0.2002 0.5200 0.2547 0.060 Uiso 1 d .
H3A H -0.3455 0.4305 0.0854 0.060 Uiso 1 d .
H4A H -0.3055 0.2853 0.1760 0.060 Uiso 1 d .
H5A H -0.2531 0.3078 -0.0169 0.060 Uiso 1 d .
H7A H -0.1366 0.2891 0.3654 0.060 Uiso 1 d .
H8A H -0.0609 0.4149 0.4308 0.060 Uiso 1 d .
H9A H -0.0346 0.4715 0.2154 0.060 Uiso 1 d .
H10A H -0.1987 0.4323 -0.0104 0.060 Uiso 1 d .
H89A H -0.0343 0.3763 0.2708 0.060 Uiso 1 d .
H9W H -0.0874 0.3834 0.1097 0.060 Uiso 1 d .
H1B H -0.0880 0.3673 -0.3433 0.060 Uiso 1 d .
H2B H 0.1009 0.3981 -0.1976 0.060 Uiso 1 d .
H3B H 0.0823 0.2483 -0.3539 0.060 Uiso 1 d .
H4B H -0.0918 0.2081 -0.3568 0.060 Uiso 1 d .
H5B H 0.0753 0.1611 -0.1958 0.060 Uiso 1 d .
H7B H -0.1536 0.3216 -0.1884 0.060 Uiso 1 d .
H8B H -0.0589 0.4367 -0.0846 0.060 Uiso 1 d .
H9B H 0.1439 0.3947 0.0531 0.060 Uiso 1 d .
H10B H 0.2005 0.2483 -0.0987 0.060 Uiso 1 d .
H89B H 0.0231 0.3607 0.0150 0.060 Uiso 1 d .
H9X H 0.1175 0.2916 0.0059 0.060 Uiso 1 d .
H1A' H 0.5573 0.0693 0.0577 0.060 Uiso 1 d .
H2A' H 0.5166 -0.0176 0.2171 0.060 Uiso 1 d .
H3A' H 0.3584 0.0748 0.0631 0.060 Uiso 1 d .
H4A' H 0.4286 0.2077 0.0447 0.060 Uiso 1 d .
H5A' H 0.3439 0.2067 0.2174 0.060 Uiso 1 d .
H7A' H 0.6097 0.1968 0.2034 0.060 Uiso 1 d .
H8A' H 0.6784 0.0751 0.3130 0.060 Uiso 1 d .
H9A' H 0.5691 0.0420 0.4662 0.060 Uiso 1 d .
H10C H 0.3702 0.0903 0.3233 0.060 Uiso 1 d .
H89C H 0.6013 0.1280 0.4181 0.060 Uiso 1 d .
H9Y H 0.4875 0.1327 0.4179 0.060 Uiso 1 d .
H1B' H 0.2331 0.1913 0.6167 0.060 Uiso 1 d .
H2B' H 0.3960 0.1514 0.8293 0.060 Uiso 1 d .
H3B' H 0.3099 0.3098 0.8503 0.060 Uiso 1 d .
H4B' H 0.2347 0.3452 0.5916 0.060 Uiso 1 d .
H5B' H 0.4019 0.3780 0.7528 0.060 Uiso 1 d .
H7B' H 0.2948 0.2188 0.4419 0.060 Uiso 1 d .
H8B' H 0.3869 0.1002 0.5503 0.060 Uiso 1 d .
H9B' H 0.5564 0.1312 0.7751 0.060 Uiso 1 d .
H10D H 0.5056 0.2875 0.9043 0.060 Uiso 1 d .
H89D H 0.4843 0.1651 0.6114 0.060 Uiso 1 d .
H9Z H 0.5252 0.2341 0.7419 0.060 Uiso 1 d .
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'
Pt Pt -1.7033 8.3905 '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'
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
P6A Pt P6B 95.61(7) .
P6A Pt Br1 162.58(6) .
P6B Pt Br1 89.86(5) .
P6A Pt Br2 86.92(6) .
P6B Pt Br2 177.22(5) .
Br1 Pt Br2 87.38(3) .
C5A P6A C11A 108.8(4) .
C5A P6A C7A 87.6(4) .
C11A P6A C7A 106.5(4) .
C5A P6A B4A 49.3(4) .
C11A P6A B4A 90.2(4) .
C7A P6A B4A 48.7(4) .
C5A P6A Pt 125.1(3) .
C11A P6A Pt 104.6(3) .
C7A P6A Pt 122.5(3) .
B4A P6A Pt 165.0(3) .
B4A B1A C7A 60.1(6) .
B4A B1A B3A 58.9(6) .
C7A B1A B3A 103.0(7) .
B4A B1A B2A 111.3(8) .
C7A B1A B2A 105.3(7) .
B3A B1A B2A 62.1(7) .
B4A B1A B8A 108.7(7) .
C7A B1A B8A 56.4(6) .
B3A B1A B8A 108.6(8) .
B2A B1A B8A 61.8(7) .
B9A B2A B1A 115.2(8) .
B9A B2A B3A 115.8(8) .
B1A B2A B3A 58.0(6) .
B9A B2A B10A 61.6(7) .
B1A B2A B10A 104.2(8) .
B3A B2A B10A 60.5(6) .
B9A B2A B8A 60.8(7) .
B1A B2A B8A 60.8(7) .
B3A B2A B8A 104.7(7) .
B10A B2A B8A 99.6(7) .
B4A B3A C5A 61.0(6) .
B4A B3A B1A 59.3(6) .
C5A B3A B1A 103.8(7) .
B4A B3A B2A 109.9(8) .
C5A B3A B2A 105.1(7) .
B1A B3A B2A 60.0(7) .
B4A B3A B10A 108.1(7) .
C5A B3A B10A 56.5(5) .
B1A B3A B10A 105.6(8) .
B2A B3A B10A 60.4(6) .
B3A B4A B1A 61.8(7) .
B3A B4A C7A 105.5(8) .
B1A B4A C7A 60.7(6) .
B3A B4A C5A 60.0(5) .
B1A B4A C5A 104.8(7) .
C7A B4A C5A 95.1(6) .
B3A B4A P6A 104.0(6) .
B1A B4A P6A 104.6(6) .
C7A B4A P6A 53.9(4) .
C5A B4A P6A 53.2(4) .
C7A B8A B9A 116.4(8) .
C7A B8A B1A 58.3(6) .
B9A B8A B1A 107.9(8) .
C7A B8A B2A 103.3(8) .
B9A B8A B2A 55.9(6) .
B1A B8A B2A 57.5(6) .
B2A B9A B8A 63.3(7) .
B2A B9A B10A 62.3(7) .
B8A B9A B10A 101.6(7) .
C5A B10A B9A 118.4(7) .
C5A B10A B2A 105.1(7) .
B9A B10A B2A 56.1(6) .
C5A B10A B3A 57.8(5) .
B9A B10A B3A 109.6(8) .
B2A B10A B3A 59.1(6) .
B10A C5A B3A 65.7(6) .
B10A C5A B4A 113.9(7) .
B3A C5A B4A 59.0(6) .
B10A C5A P6A 107.5(6) .
B3A C5A P6A 122.9(6) .
B4A C5A P6A 77.5(5) .
B8A C7A B4A 115.6(7) .
B8A C7A B1A 65.3(7) .
B4A C7A B1A 59.3(6) .
B8A C7A P6A 109.5(6) .
B4A C7A P6A 77.4(5) .
B1A C7A P6A 122.2(6) .
C12A C11A C16A 118.9(8) .
C12A C11A P6A 118.0(6) .
C16A C11A P6A 123.1(7) .
C13A C12A C11A 121.8(8) .
C12A C13A C14A 118.7(9) .
C13A C14A C15A 120.9(9) .
C16A C15A C14A 119.9(8) .
C15A C16A C11A 119.7(8) .
C11B P6B C5B 105.9(4) .
C11B P6B C7B 108.6(4) .
C5B P6B C7B 87.0(4) .
C11B P6B B4B 88.7(4) .
C5B P6B B4B 48.9(4) .
C7B P6B B4B 49.3(4) .
C11B P6B Pt 108.7(3) .
C5B P6B Pt 121.0(3) .
C7B P6B Pt 123.2(3) .
B4B P6B Pt 162.5(3) .
B4B B1B B3B 59.6(6) .
B4B B1B C7B 60.5(6) .
B3B B1B C7B 104.1(7) .
B4B B1B B2B 110.7(8) .
B3B B1B B2B 60.5(7) .
C7B B1B B2B 106.4(8) .
B4B B1B B8B 108.7(7) .
B3B B1B B8B 107.3(8) .
C7B B1B B8B 57.0(6) .
B2B B1B B8B 61.7(7) .
B9B B2B B3B 115.7(9) .
B9B B2B B1B 116.1(8) .
B3B B2B B1B 59.0(7) .
B9B B2B B10B 60.6(7) .
B3B B2B B10B 61.4(6) .
B1B B2B B10B 106.1(8) .
B9B B2B B8B 62.4(7) .
B3B B2B B8B 104.8(8) .
B1B B2B B8B 59.9(6) .
B10B B2B B8B 100.5(8) .
B4B B3B C5B 60.3(5) .
B4B B3B B1B 59.8(6) .
C5B B3B B1B 103.1(6) .
B4B B3B B2B 111.0(7) .
C5B B3B B2B 104.9(8) .
B1B B3B B2B 60.6(7) .
B4B B3B B10B 109.4(7) .
C5B B3B B10B 57.6(5) .
B1B B3B B10B 106.3(8) .
B2B B3B B10B 60.0(7) .
B3B B4B B1B 60.7(6) .
B3B B4B C5B 59.9(6) .
B1B B4B C5B 103.3(8) .
B3B B4B C7B 104.7(8) .
B1B B4B C7B 60.2(6) .
C5B B4B C7B 94.6(6) .
B3B B4B P6B 104.5(6) .
B1B B4B P6B 104.1(7) .
C5B B4B P6B 53.7(4) .
C7B B4B P6B 53.8(4) .
C7B B8B B1B 59.8(6) .
C7B B8B B9B 118.1(8) .
B1B B8B B9B 107.8(8) .
C7B B8B B2B 105.9(8) .
B1B B8B B2B 58.4(7) .
B9B B8B B2B 54.6(7) .
B2B B9B B10B 63.0(7) .
B2B B9B B8B 63.0(7) .
B10B B9B B8B 102.5(8) .
C5B B10B B9B 117.2(7) .
C5B B10B B2B 104.4(7) .
B9B B10B B2B 56.4(7) .
C5B B10B B3B 58.4(6) .
B9B B10B B3B 109.5(8) .
B2B B10B B3B 58.6(7) .
B10B C5B B3B 64.0(6) .
B10B C5B B4B 114.4(7) .
B3B C5B B4B 59.8(6) .
B10B C5B P6B 110.3(6) .
B3B C5B P6B 123.6(6) .
B4B C5B P6B 77.5(5) .
B8B C7B B1B 63.2(7) .
B8B C7B B4B 112.9(7) .
B1B C7B B4B 59.3(6) .
B8B C7B P6B 108.9(6) .
B1B C7B P6B 121.8(5) .
B4B C7B P6B 76.9(5) .
C12B C11B C16B 117.1(8) .
C12B C11B P6B 126.1(7) .
C16B C11B P6B 116.7(6) .
C13B C12B C11B 121.3(9) .
C12B C13B C14B 121.3(8) .
C13B C14B C15B 118.2(9) .
C16B C15B C14B 121.5(9) .
C15B C16B C11B 120.4(8) .
P6A' Pt' P6B' 95.20(7) .
P6A' Pt' Br1' 166.22(5) .
P6B' Pt' Br1' 90.45(5) .
P6A' Pt' Br2' 86.13(5) .
P6B' Pt' Br2' 175.19(5) .
Br1' Pt' Br2' 87.26(3) .
C11C P6A' C5A' 108.2(4) .
C11C P6A' C7A' 106.7(4) .
C5A' P6A' C7A' 87.4(4) .
C11C P6A' B4A' 89.4(4) .
C5A' P6A' B4A' 49.3(4) .
C7A' P6A' B4A' 48.9(3) .
C11C P6A' Pt' 106.4(2) .
C5A' P6A' Pt' 125.0(3) .
C7A' P6A' Pt' 121.1(3) .
B4A' P6A' Pt' 163.9(3) .
B4A' B1A' C7A' 60.6(5) .
B4A' B1A' B3A' 60.0(6) .
C7A' B1A' B3A' 103.4(6) .
B4A' B1A' B2A' 112.1(7) .
C7A' B1A' B2A' 106.0(7) .
B3A' B1A' B2A' 60.9(6) .
B4A' B1A' B8A' 109.8(7) .
C7A' B1A' B8A' 56.9(5) .
B3A' B1A' B8A' 107.7(7) .
B2A' B1A' B8A' 61.8(6) .
B9A' B2A' B1A' 115.0(7) .
B9A' B2A' B3A' 115.4(7) .
B1A' B2A' B3A' 58.3(6) .
B9A' B2A' B10C 62.7(6) .
B1A' B2A' B10C 103.7(7) .
B3A' B2A' B10C 59.2(5) .
B9A' B2A' B8A' 61.5(6) .
B1A' B2A' B8A' 59.8(6) .
B3A' B2A' B8A' 104.1(7) .
B10C B2A' B8A' 100.5(6) .
C5A' B3A' B4A' 61.2(5) .
C5A' B3A' B1A' 103.6(6) .
B4A' B3A' B1A' 59.3(6) .
C5A' B3A' B10C 57.3(5) .
B4A' B3A' B10C 110.1(7) .
B1A' B3A' B10C 107.5(7) .
C5A' B3A' B2A' 106.1(6) .
B4A' B3A' B2A' 111.4(7) .
B1A' B3A' B2A' 60.8(6) .
B10C B3A' B2A' 61.6(6) .
B1A' B4A' B3A' 60.8(6) .
B1A' B4A' C7A' 60.3(5) .
B3A' B4A' C7A' 103.8(7) .
B1A' B4A' C5A' 103.3(7) .
B3A' B4A' C5A' 59.2(5) .
C7A' B4A' C5A' 93.5(6) .
B1A' B4A' P6A' 103.3(5) .
B3A' B4A' P6A' 102.5(5) .
C7A' B4A' P6A' 53.0(3) .
C5A' B4A' P6A' 52.7(4) .
C7A' B8A' B1A' 59.2(5) .
C7A' B8A' B9A' 117.1(6) .
B1A' B8A' B9A' 108.6(7) .
C7A' B8A' B2A' 105.1(6) .
B1A' B8A' B2A' 58.3(6) .
B9A' B8A' B2A' 55.8(5) .
B2A' B9A' B8A' 62.7(6) .
B2A' B9A' B10C 61.5(6) .
B8A' B9A' B10C 100.5(7) .
C5A' B10C B3A' 59.4(5) .
C5A' B10C B2A' 106.0(7) .
B3A' B10C B2A' 59.3(6) .
C5A' B10C B9A' 117.2(7) .
B3A' B10C B9A' 109.3(7) .
B2A' B10C B9A' 55.8(5) .
B10C C5A' B3A' 63.3(6) .
B10C C5A' B4A' 113.9(7) .
B3A' C5A' B4A' 59.6(5) .
B10C C5A' P6A' 109.7(5) .
B3A' C5A' P6A' 122.9(6) .
B4A' C5A' P6A' 77.9(5) .
B8A' C7A' B1A' 63.8(5) .
B8A' C7A' B4A' 114.4(6) .
B1A' C7A' B4A' 59.1(5) .
B8A' C7A' P6A' 109.5(5) .
B1A' C7A' P6A' 122.2(5) .
B4A' C7A' P6A' 78.1(4) .
C12C C11C C16C 118.6(7) .
C12C C11C P6A' 118.8(6) .
C16C C11C P6A' 122.6(6) .
C13C C12C C11C 121.1(7) .
C12C C13C C14C 119.8(8) .
C15C C14C C13C 120.6(8) .
C14C C15C C16C 119.9(8) .
C15C C16C C11C 120.0(8) .
C11D P6B' C7B' 108.9(4) .
C11D P6B' C5B' 106.0(4) .
C7B' P6B' C5B' 87.9(4) .
C11D P6B' B4B' 89.5(3) .
C7B' P6B' B4B' 49.3(3) .
C5B' P6B' B4B' 49.3(4) .
C11D P6B' Pt' 106.6(3) .
C7B' P6B' Pt' 124.3(3) .
C5B' P6B' Pt' 121.2(3) .
B4B' P6B' Pt' 163.7(3) .
B3B' B1B' B4B' 59.5(6) .
B3B' B1B' C7B' 103.6(6) .
B4B' B1B' C7B' 60.6(5) .
B3B' B1B' B2B' 60.8(6) .
B4B' B1B' B2B' 111.2(7) .
C7B' B1B' B2B' 106.1(6) .
B3B' B1B' B8B' 107.3(7) .
B4B' B1B' B8B' 108.4(6) .
C7B' B1B' B8B' 56.2(5) .
B2B' B1B' B8B' 62.0(5) .
B9B' B2B' B3B' 116.4(8) .
B9B' B2B' B1B' 117.3(7) .
B3B' B2B' B1B' 58.0(6) .
B9B' B2B' B10D 61.3(6) .
B3B' B2B' B10D 61.1(6) .
B1B' B2B' B10D 105.4(7) .
B9B' B2B' B8B' 62.4(6) .
B3B' B2B' B8B' 104.2(7) .
B1B' B2B' B8B' 60.7(5) .
B10D B2B' B8B' 99.8(6) .
B4B' B3B' B1B' 60.6(6) .
B4B' B3B' C5B' 61.1(5) .
B1B' B3B' C5B' 104.3(6) .
B4B' B3B' B2B' 112.5(7) .
B1B' B3B' B2B' 61.2(6) .
C5B' B3B' B2B' 105.4(7) .
B4B' B3B' B10D 109.9(6) .
B1B' B3B' B10D 108.0(7) .
C5B' B3B' B10D 56.4(5) .
B2B' B3B' B10D 61.4(6) .
B3B' B4B' B1B' 59.9(6) .
B3B' B4B' C7B' 104.0(6) .
B1B' B4B' C7B' 60.7(5) .
B3B' B4B' C5B' 61.0(6) .
B1B' B4B' C5B' 103.7(7) .
C7B' B4B' C5B' 93.4(5) .
B3B' B4B' P6B' 103.9(5) .
B1B' B4B' P6B' 103.3(5) .
C7B' B4B' P6B' 52.4(3) .
C5B' B4B' P6B' 52.9(3) .
C7B' B8B' B1B' 59.7(5) .
C7B' B8B' B9B' 118.8(6) .
B1B' B8B' B9B' 107.5(6) .
C7B' B8B' B2B' 105.0(6) .
B1B' B8B' B2B' 57.2(5) .
B9B' B8B' B2B' 55.0(5) .
B2B' B9B' B10D 62.6(6) .
B2B' B9B' B8B' 62.6(6) .
B10D B9B' B8B' 100.7(7) .
C5B' B10D B9B' 117.9(7) .
C5B' B10D B3B' 59.7(6) .
B9B' B10D B3B' 108.6(7) .
C5B' B10D B2B' 104.9(7) .
B9B' B10D B2B' 56.1(6) .
B3B' B10D B2B' 57.5(6) .
B10D C5B' B3B' 63.8(6) .
B10D C5B' B4B' 113.5(7) .
B3B' C5B' B4B' 57.9(5) .
B10D C5B' P6B' 110.3(6) .
B3B' C5B' P6B' 121.5(6) .
B4B' C5B' P6B' 77.8(4) .
B8B' C7B' B4B' 113.5(6) .
B8B' C7B' B1B' 64.1(5) .
B4B' C7B' B1B' 58.7(5) .
B8B' C7B' P6B' 108.4(5) .
B4B' C7B' P6B' 78.4(4) .
B1B' C7B' P6B' 122.3(5) .
C16D C11D C12D 119.6(7) .
C16D C11D P6B' 115.8(6) .
C12D C11D P6B' 124.6(6) .
C13D C12D C11D 118.4(9) .
C14D C13D C12D 121.6(8) .
C13D C14D C15D 120.1(8) .
C14D C15D C16D 121.2(9) .
C15D C16D C11D 119.2(8) .
C19 C17 C18 118.3(14) 2_556
C17 C18 C19 117.4(13) .
C17 C19 C18 124.2(13) 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt P6A 2.254(2) .
Pt P6B 2.268(2) .
Pt Br1 2.4675(9) .
Pt Br2 2.4687(9) .
P6A C5A 1.823(8) .
P6A C11A 1.823(9) .
P6A C7A 1.839(9) .
P6A B4A 2.221(9) .
B1A B4A 1.70(2) .
B1A C7A 1.721(14) .
B1A B3A 1.74(2) .
B1A B2A 1.78(2) .
B1A B8A 1.84(2) .
B2A B9A 1.72(2) .
B2A B3A 1.81(2) .
B2A B10A 1.84(2) .
B2A B8A 1.86(2) .
B3A B4A 1.691(15) .
B3A C5A 1.708(13) .
B3A B10A 1.839(15) .
B4A C7A 1.711(13) .
B4A C5A 1.726(12) .
B8A C7A 1.686(14) .
B8A B9A 1.81(2) .
B9A B10A 1.82(2) .
B10A C5A 1.684(13) .
C11A C12A 1.389(11) .
C11A C16A 1.396(11) .
C12A C13A 1.376(13) .
C13A C14A 1.379(13) .
C14A C15A 1.389(13) .
C15A C16A 1.385(13) .
P6B C11B 1.777(9) .
P6B C5B 1.845(8) .
P6B C7B 1.852(8) .
P6B B4B 2.236(10) .
B1B B4B 1.72(2) .
B1B B3B 1.735(14) .
B1B C7B 1.736(13) .
B1B B2B 1.76(2) .
B1B B8B 1.79(2) .
B2B B9B 1.67(2) .
B2B B3B 1.76(2) .
B2B B10B 1.79(2) .
B2B B8B 1.82(2) .
B3B B4B 1.716(15) .
B3B C5B 1.717(13) .
B3B B10B 1.81(2) .
B4B C5B 1.725(12) .
B4B C7B 1.741(14) .
B8B C7B 1.685(14) .
B8B B9B 1.81(2) .
B9B B10B 1.75(2) .
B10B C5B 1.702(14) .
C11B C12B 1.393(10) .
C11B C16B 1.433(12) .
C12B C13B 1.377(13) .
C13B C14B 1.388(15) .
C14B C15B 1.391(13) .
C15B C16B 1.368(12) .
Pt' P6A' 2.259(2) .
Pt' P6B' 2.271(2) .
Pt' Br1' 2.4771(8) .
Pt' Br2' 2.4776(8) .
P6A' C11C 1.820(8) .
P6A' C5A' 1.828(8) .
P6A' C7A' 1.835(8) .
P6A' B4A' 2.247(9) .
B1A' B4A' 1.703(14) .
B1A' C7A' 1.725(12) .
B1A' B3A' 1.729(14) .
B1A' B2A' 1.77(2) .
B1A' B8A' 1.802(14) .
B2A' B9A' 1.709(14) .
B2A' B3A' 1.777(14) .
B2A' B10C 1.817(14) .
B2A' B8A' 1.838(14) .
B3A' C5A' 1.709(12) .
B3A' B4A' 1.715(14) .
B3A' B10C 1.775(14) .
B4A' C7A' 1.730(12) .
B4A' C5A' 1.743(12) .
B8A' C7A' 1.682(12) .
B8A' B9A' 1.82(2) .
B9A' B10C 1.838(14) .
B10C C5A' 1.670(13) .
C11C C12C 1.388(11) .
C11C C16C 1.398(10) .
C12C C13C 1.365(11) .
C13C C14C 1.381(12) .
C14C C15C 1.368(14) .
C15C C16C 1.387(11) .
P6B' C11D 1.815(8) .
P6B' C7B' 1.830(8) .
P6B' C5B' 1.847(8) .
P6B' B4B' 2.263(8) .
B1B' B3B' 1.706(14) .
B1B' B4B' 1.717(13) .
B1B' C7B' 1.753(12) .
B1B' B2B' 1.762(14) .
B1B' B8B' 1.827(13) .
B2B' B9B' 1.708(15) .
B2B' B3B' 1.76(2) .
B2B' B10D 1.83(2) .
B2B' B8B' 1.851(13) .
B3B' B4B' 1.699(13) .
B3B' C5B' 1.752(13) .
B3B' B10D 1.82(2) .
B4B' C7B' 1.751(11) .
B4B' C5B' 1.754(12) .
B8B' C7B' 1.688(12) .
B8B' B9B' 1.848(13) .
B9B' B10D 1.80(2) .
B10D C5B' 1.690(13) .
C11D C16D 1.410(11) .
C11D C12D 1.411(10) .
C12D C13D 1.387(12) .
C13D C14D 1.365(15) .
C14D C15D 1.370(13) .
C15D C16D 1.377(11) .
C17 C19 1.30(2) 2_556
C17 C18 1.38(2) .
C18 C19 1.41(2) .
C19 C17 1.30(2) 2_556
