#------------------------------------------------------------------------------
#$Date: 2018-08-16 20:05:07 +0300 (Thu, 16 Aug 2018) $
#$Revision: 209819 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/07/48/4074872.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_4074872
loop_
_publ_author_name
'Yeo, Wee-Chuan'
'Vittal, Jagadese J.'
'Koh, Lip Lin'
'Tan, Geok Kheng'
'Leung, Pak-Hing'
_publ_section_title
;
 Functionalization of Metal-Protected Chiral Phosphines via Simple Organic
 Transformations
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1259
_journal_page_last               1269
_journal_paper_doi               10.1021/om0509645
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C50 H47 B Cl F4 N O P2 Pt Se'
_chemical_formula_weight         1136.14
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            18
_cell_length_a                   21.6188(5)
_cell_length_b                   21.6188(5)
_cell_length_c                   54.139(3)
_cell_measurement_reflns_used    5465
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      22.61
_cell_measurement_theta_min      2.19
_cell_volume                     21913.1(14)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0424
_diffrn_reflns_av_sigmaI/netI    0.0694
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            42842
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    3.801
_exptl_absorpt_correction_T_max  0.6584
_exptl_absorpt_correction_T_min  0.4158
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            PALE
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             10116
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.095
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.092
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.002(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1111
_refine_ls_number_reflns         14935
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0345
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0269P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0757
_refine_ls_wR_factor_ref         0.0785
_reflns_number_gt                13443
_reflns_number_total             14935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0509645si20051110_035206.cif
_cod_data_source_block           2038
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        21913.3(13)
_cod_original_sg_symbol_H-M      R3
_cod_database_code               4074872
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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 0.282104(12) 0.094154(12) 0.833275(5) 0.03481(7) Uani 1 1 d . . .
Se1 Se 0.33176(6) 0.25854(6) 0.940845(18) 0.0770(3) Uani 1 1 d . . .
Cl1 Cl 0.47522(10) 0.36342(10) 0.87961(4) 0.0644(5) Uani 1 1 d . . .
P1 P 0.30301(9) 0.20213(9) 0.84975(3) 0.0361(4) Uani 1 1 d . . .
P2 P 0.38901(8) 0.12278(9) 0.84941(3) 0.0363(4) Uani 1 1 d . . .
O22 O 0.3320(2) 0.1659(2) 0.89449(8) 0.0453(11) Uani 1 1 d . . .
N12 N 0.1813(3) 0.0631(3) 0.81583(12) 0.0423(14) Uani 1 1 d . . .
C1 C 0.2553(3) -0.0063(3) 0.82003(13) 0.0392(15) Uani 1 1 d . . .
C2 C 0.2839(4) -0.0507(4) 0.82793(15) 0.0500(18) Uani 1 1 d . . .
H2 H 0.3223 -0.0328 0.8391 0.060 Uiso 1 1 calc R . .
C3 C 0.2545(4) -0.1195(4) 0.81904(16) 0.056(2) Uani 1 1 d . . .
H3 H 0.2752 -0.1470 0.8237 0.068 Uiso 1 1 calc R . .
C4 C 0.1950(4) -0.1501(4) 0.80328(15) 0.0516(18) Uani 1 1 d . . .
C5 C 0.1618(5) -0.2221(4) 0.79576(19) 0.071(3) Uani 1 1 d . . .
H5 H 0.1790 -0.2514 0.8018 0.086 Uiso 1 1 calc R . .
C6 C 0.1055(5) -0.2502(5) 0.7800(2) 0.076(3) Uani 1 1 d . . .
H6 H 0.0855 -0.2978 0.7746 0.091 Uiso 1 1 calc R . .
C7 C 0.0776(5) -0.2079(5) 0.77172(18) 0.067(2) Uani 1 1 d . . .
H7 H 0.0377 -0.2279 0.7612 0.080 Uiso 1 1 calc R . .
C8 C 0.1072(4) -0.1377(4) 0.77874(15) 0.0504(18) Uani 1 1 d . . .
H8 H 0.0879 -0.1100 0.7728 0.060 Uiso 1 1 calc R . .
C9 C 0.1669(3) -0.1065(4) 0.79505(13) 0.0415(16) Uani 1 1 d . . .
C10 C 0.1991(3) -0.0341(3) 0.80376(13) 0.0410(16) Uani 1 1 d . . .
C11 C 0.1735(4) 0.0148(4) 0.79440(14) 0.0447(16) Uani 1 1 d . . .
H11 H 0.1224 -0.0139 0.7898 0.054 Uiso 1 1 calc R . .
C13 C 0.2159(5) 0.0549(4) 0.77228(15) 0.064(2) Uani 1 1 d . . .
H13A H 0.1945 0.0806 0.7649 0.095 Uiso 1 1 calc R . .
H13B H 0.2163 0.0215 0.7604 0.095 Uiso 1 1 calc R . .
H13C H 0.2645 0.0885 0.7773 0.095 Uiso 1 1 calc R . .
C15 C 0.1237(4) 0.0225(4) 0.83403(15) 0.0501(18) Uani 1 1 d . . .
H15A H 0.1316 0.0517 0.8486 0.075 Uiso 1 1 calc R . .
H15B H 0.1239 -0.0207 0.8386 0.075 Uiso 1 1 calc R . .
H15C H 0.0779 0.0101 0.8268 0.075 Uiso 1 1 calc R . .
C14 C 0.1718(4) 0.1235(4) 0.80647(17) 0.060(2) Uani 1 1 d . . .
H14A H 0.1288 0.1043 0.7965 0.089 Uiso 1 1 calc R . .
H14B H 0.2128 0.1554 0.7965 0.089 Uiso 1 1 calc R . .
H14C H 0.1678 0.1496 0.8204 0.089 Uiso 1 1 calc R . .
C16 C 0.3648(4) 0.2193(4) 0.87567(13) 0.0403(16) Uani 1 1 d . . .
C17 C 0.4280(3) 0.2063(4) 0.86802(13) 0.0426(16) Uani 1 1 d . . .
H17 H 0.4652 0.2474 0.8586 0.051 Uiso 1 1 calc R . .
C18 C 0.4550(4) 0.2021(4) 0.89381(14) 0.0539(19) Uani 1 1 d . . .
H18A H 0.4998 0.2458 0.8977 0.065 Uiso 1 1 calc R . .
H18B H 0.4621 0.1610 0.8952 0.065 Uiso 1 1 calc R . .
C19 C 0.3937(4) 0.1937(4) 0.91061(14) 0.0510(18) Uani 1 1 d . . .
H19 H 0.3864 0.1638 0.9254 0.061 Uiso 1 1 calc R . .
C20 C 0.4052(4) 0.2670(5) 0.91652(15) 0.0574(19) Uani 1 1 d . . .
H20 H 0.4542 0.2993 0.9226 0.069 Uiso 1 1 calc R . .
C21 C 0.3938(4) 0.2892(4) 0.89081(14) 0.0473(17) Uani 1 1 d . . .
H21 H 0.3566 0.3031 0.8918 0.057 Uiso 1 1 calc R . .
C23 C 0.2291(3) 0.2089(4) 0.86300(14) 0.0432(16) Uani 1 1 d . . .
C24 C 0.1935(4) 0.1671(4) 0.88342(15) 0.057(2) Uani 1 1 d . . .
H24 H 0.2103 0.1388 0.8908 0.069 Uiso 1 1 calc R . .
C25 C 0.1347(4) 0.1663(5) 0.89300(17) 0.069(2) Uani 1 1 d . . .
H25 H 0.1097 0.1359 0.9063 0.083 Uiso 1 1 calc R . .
C26 C 0.1119(5) 0.2110(6) 0.88294(18) 0.074(3) Uani 1 1 d . . .
H26 H 0.0733 0.2129 0.8901 0.088 Uiso 1 1 calc R . .
C27 C 0.1457(5) 0.2521(5) 0.8627(2) 0.072(3) Uani 1 1 d . . .
H27 H 0.1291 0.2808 0.8556 0.087 Uiso 1 1 calc R . .
C28 C 0.2042(4) 0.2515(4) 0.85254(16) 0.0543(19) Uani 1 1 d . . .
H28 H 0.2271 0.2797 0.8386 0.065 Uiso 1 1 calc R . .
C29 C 0.3552(4) 0.2814(3) 0.83051(14) 0.0437(16) Uani 1 1 d . . .
C30 C 0.3895(4) 0.2745(4) 0.81019(14) 0.0494(18) Uani 1 1 d . . .
H30 H 0.3821 0.2294 0.8055 0.059 Uiso 1 1 calc R . .
C31 C 0.4352(4) 0.3348(4) 0.79677(16) 0.061(2) Uani 1 1 d . . .
H31 H 0.4599 0.3303 0.7832 0.074 Uiso 1 1 calc R . .
C32 C 0.4452(4) 0.3991(4) 0.80247(16) 0.062(2) Uani 1 1 d . . .
H32 H 0.4759 0.4389 0.7928 0.075 Uiso 1 1 calc R . .
C33 C 0.4105(5) 0.4072(4) 0.82262(17) 0.063(2) Uani 1 1 d . . .
H33 H 0.4173 0.4524 0.8268 0.076 Uiso 1 1 calc R . .
C34 C 0.3658(4) 0.3483(4) 0.83641(15) 0.0461(17) Uani 1 1 d . . .
H34 H 0.3421 0.3534 0.8501 0.055 Uiso 1 1 calc R . .
C35 C 0.4574(3) 0.1437(3) 0.82580(13) 0.0394(15) Uani 1 1 d . . .
C36 C 0.4370(4) 0.1153(4) 0.80248(15) 0.057(2) Uani 1 1 d . . .
H36 H 0.3886 0.0833 0.7990 0.069 Uiso 1 1 calc R . .
C37 C 0.4881(5) 0.1343(5) 0.78421(17) 0.071(2) Uani 1 1 d . . .
H37 H 0.4744 0.1145 0.7683 0.085 Uiso 1 1 calc R . .
C38 C 0.5578(6) 0.1812(5) 0.7890(2) 0.075(3) Uani 1 1 d . . .
H38 H 0.5919 0.1945 0.7764 0.090 Uiso 1 1 calc R . .
C39 C 0.5788(5) 0.2092(5) 0.8122(2) 0.079(3) Uani 1 1 d . . .
H39 H 0.6272 0.2415 0.8155 0.095 Uiso 1 1 calc R . .
C40 C 0.5286(4) 0.1898(4) 0.83079(18) 0.057(2) Uani 1 1 d . . .
H40 H 0.5429 0.2081 0.8468 0.068 Uiso 1 1 calc R . .
C41 C 0.3886(4) 0.0553(4) 0.86936(14) 0.0451(17) Uani 1 1 d . . .
C42 C 0.4420(4) 0.0368(4) 0.86809(19) 0.066(2) Uani 1 1 d . . .
H42 H 0.4807 0.0612 0.8572 0.079 Uiso 1 1 calc R . .
C43 C 0.4376(5) -0.0173(5) 0.8828(2) 0.088(3) Uani 1 1 d . . .
H43 H 0.4732 -0.0301 0.8818 0.106 Uiso 1 1 calc R . .
C44 C 0.3816(6) -0.0525(6) 0.8988(2) 0.103(4) Uani 1 1 d . . .
H44 H 0.3792 -0.0894 0.9087 0.124 Uiso 1 1 calc R . .
C45 C 0.3288(6) -0.0349(5) 0.9007(2) 0.083(3) Uani 1 1 d . . .
H45 H 0.2912 -0.0590 0.9120 0.100 Uiso 1 1 calc R . .
C46 C 0.3317(4) 0.0190(4) 0.88573(17) 0.062(2) Uani 1 1 d . . .
H46 H 0.2954 0.0308 0.8866 0.074 Uiso 1 1 calc R . .
C47 C 0.3339(5) 0.3445(5) 0.93242(16) 0.065(2) Uani 1 1 d . . .
C48 C 0.2780(6) 0.3418(6) 0.9195(3) 0.097(4) Uani 1 1 d . . .
H48 H 0.2373 0.2977 0.9158 0.116 Uiso 1 1 calc R . .
C49 C 0.2830(8) 0.4076(8) 0.9117(3) 0.124(5) Uani 1 1 d . . .
H49 H 0.2446 0.4066 0.9032 0.149 Uiso 1 1 calc R . .
C50 C 0.3442(8) 0.4732(7) 0.9166(3) 0.117(4) Uani 1 1 d . . .
H50 H 0.3492 0.5160 0.9103 0.140 Uiso 1 1 calc R . .
C51 C 0.3966(6) 0.4734(6) 0.9308(2) 0.094(3) Uani 1 1 d . . .
H51 H 0.4364 0.5172 0.9355 0.113 Uiso 1 1 calc R . .
C52 C 0.3920(5) 0.4100(5) 0.9385(2) 0.082(3) Uani 1 1 d . . .
H52 H 0.4291 0.4116 0.9480 0.098 Uiso 1 1 calc R . .
Pt1A Pt 1.015096(12) 0.384412(13) 0.676653(5) 0.03770(7) Uani 1 1 d . . .
Se1A Se 0.99697(5) 0.67818(4) 0.669650(16) 0.0605(2) Uani 1 1 d . . .
Cl1A Cl 0.95618(11) 0.56161(11) 0.73876(4) 0.0574(5) Uani 1 1 d . . .
P1A P 1.05311(9) 0.49357(9) 0.69461(4) 0.0402(4) Uani 1 1 d . . .
P2A P 0.90427(8) 0.36323(8) 0.68371(3) 0.0351(4) Uani 1 1 d . . .
O22A O 0.9609(2) 0.5197(2) 0.66909(8) 0.0380(10) Uiso 1 1 d . . .
N12A N 1.1174(3) 0.3904(3) 0.67434(14) 0.0532(17) Uani 1 1 d . . .
C1A C 0.9890(3) 0.2944(4) 0.65585(13) 0.0425(16) Uani 1 1 d . . .
C2A C 0.9332(4) 0.2585(4) 0.63881(15) 0.0478(18) Uani 1 1 d . . .
H2A H 0.8968 0.2700 0.6379 0.057 Uiso 1 1 calc R . .
C3A C 0.9307(4) 0.2069(4) 0.62345(15) 0.0478(17) Uani 1 1 d . . .
H3A H 0.8948 0.1866 0.6114 0.057 Uiso 1 1 calc R . .
C4A C 0.9813(4) 0.1835(3) 0.62539(14) 0.0458(17) Uani 1 1 d . . .
C5A C 0.9785(4) 0.1294(3) 0.60994(14) 0.0512(19) Uani 1 1 d . . .
H5A H 0.9424 0.1078 0.5980 0.061 Uiso 1 1 calc R . .
C6A C 1.0286(5) 0.1087(4) 0.61250(17) 0.060(2) Uani 1 1 d . . .
H6A H 1.0271 0.0735 0.6019 0.072 Uiso 1 1 calc R . .
C7A C 1.0812(5) 0.1383(4) 0.63022(18) 0.062(2) Uani 1 1 d . . .
H7A H 1.1138 0.1219 0.6321 0.074 Uiso 1 1 calc R . .
C8A C 1.0856(4) 0.1919(4) 0.64512(16) 0.0509(19) Uani 1 1 d . . .
H8A H 1.1222 0.2126 0.6570 0.061 Uiso 1 1 calc R . .
C9A C 1.0370(4) 0.2165(3) 0.64303(15) 0.0469(17) Uani 1 1 d . . .
C10A C 1.0406(3) 0.2731(3) 0.65752(14) 0.0426(17) Uani 1 1 d . . .
C11A C 1.0996(4) 0.3127(4) 0.67548(17) 0.054(2) Uani 1 1 d . . .
H11A H 1.1419 0.3100 0.6700 0.065 Uiso 1 1 calc R . .
C13A C 1.0802(5) 0.2829(4) 0.70153(17) 0.064(2) Uani 1 1 d . . .
H13D H 1.0459 0.2945 0.7085 0.097 Uiso 1 1 calc R . .
H13E H 1.1229 0.3037 0.7117 0.097 Uiso 1 1 calc R . .
H13F H 1.0596 0.2314 0.7011 0.097 Uiso 1 1 calc R . .
C14A C 1.1703(4) 0.4330(5) 0.6940(2) 0.070(3) Uani 1 1 d . . .
H14D H 1.2107 0.4252 0.6931 0.105 Uiso 1 1 calc R . .
H14E H 1.1479 0.4181 0.7101 0.105 Uiso 1 1 calc R . .
H14F H 1.1866 0.4833 0.6916 0.105 Uiso 1 1 calc R . .
C15A C 1.1495(4) 0.4197(4) 0.64967(19) 0.067(3) Uani 1 1 d . . .
H15D H 1.1574 0.4678 0.6480 0.100 Uiso 1 1 calc R . .
H15E H 1.1172 0.3897 0.6368 0.100 Uiso 1 1 calc R . .
H15F H 1.1947 0.4207 0.6482 0.100 Uiso 1 1 calc R . .
C16A C 0.9761(3) 0.5088(3) 0.69386(13) 0.0388(15) Uani 1 1 d . . .
C17A C 0.9043(3) 0.4400(3) 0.70031(13) 0.0363(15) Uani 1 1 d . . .
H17A H 0.8991 0.4318 0.7184 0.044 Uiso 1 1 calc R . .
C18A C 0.8515(3) 0.4623(3) 0.69052(14) 0.0411(16) Uani 1 1 d . . .
H18C H 0.8292 0.4742 0.7041 0.049 Uiso 1 1 calc R . .
H18D H 0.8142 0.4245 0.6804 0.049 Uiso 1 1 calc R . .
C19A C 0.9007(3) 0.5293(3) 0.67477(14) 0.0432(16) Uani 1 1 d . . .
H19A H 0.8770 0.5350 0.6600 0.052 Uiso 1 1 calc R . .
C20A C 0.9381(4) 0.5961(3) 0.69079(13) 0.0434(16) Uani 1 1 d . . .
H20A H 0.9038 0.6033 0.7007 0.052 Uiso 1 1 calc R . .
C21A C 0.9852(4) 0.5775(4) 0.70708(13) 0.0409(16) Uani 1 1 d . . .
H21A H 1.0357 0.6162 0.7062 0.049 Uiso 1 1 calc R . .
C29A C 1.0761(4) 0.5022(4) 0.72694(16) 0.0546(19) Uani 1 1 d . . .
C30A C 1.0521(5) 0.4387(5) 0.74011(18) 0.070(2) Uani 1 1 d . . .
H30A H 1.0262 0.3946 0.7319 0.083 Uiso 1 1 calc R . .
C31A C 1.0662(6) 0.4401(7) 0.7655(2) 0.097(3) Uani 1 1 d . . .
H31A H 1.0508 0.3971 0.7742 0.116 Uiso 1 1 calc R . .
C32A C 1.1030(7) 0.5052(9) 0.7779(2) 0.111(4) Uani 1 1 d . . .
H32A H 1.1118 0.5068 0.7950 0.133 Uiso 1 1 calc R . .
C33A C 1.1258(7) 0.5662(8) 0.7648(2) 0.103(4) Uani 1 1 d . . .
H33A H 1.1519 0.6103 0.7729 0.123 Uiso 1 1 calc R . .
C34A C 1.1124(5) 0.5660(6) 0.7402(2) 0.081(3) Uani 1 1 d . . .
H34A H 1.1279 0.6096 0.7320 0.098 Uiso 1 1 calc R . .
C23A C 1.1203(3) 0.5661(4) 0.67614(18) 0.051(2) Uani 1 1 d . . .
C24A C 1.1868(4) 0.6154(4) 0.6849(2) 0.069(3) Uani 1 1 d . . .
H24A H 1.1976 0.6161 0.7017 0.083 Uiso 1 1 calc R . .
C25A C 1.2371(5) 0.6635(5) 0.6690(3) 0.100(5) Uani 1 1 d . . .
H25A H 1.2826 0.6969 0.6750 0.120 Uiso 1 1 calc R . .
C26A C 1.2215(7) 0.6631(6) 0.6444(3) 0.108(5) Uani 1 1 d . . .
H26A H 1.2561 0.6968 0.6336 0.129 Uiso 1 1 calc R . .
C27A C 1.1565(6) 0.6145(5) 0.6355(2) 0.090(3) Uani 1 1 d . . .
H27A H 1.1460 0.6139 0.6187 0.108 Uiso 1 1 calc R . .
C28A C 1.1062(5) 0.5660(5) 0.65140(19) 0.070(2) Uani 1 1 d . . .
H28A H 1.0612 0.5320 0.6452 0.084 Uiso 1 1 calc R . .
C35A C 0.8581(3) 0.2890(3) 0.70499(13) 0.0367(15) Uani 1 1 d . . .
C36A C 0.8754(4) 0.2349(4) 0.70629(15) 0.0484(18) Uani 1 1 d . . .
H36A H 0.9095 0.2356 0.6954 0.058 Uiso 1 1 calc R . .
C37A C 0.8435(4) 0.1811(4) 0.72314(15) 0.0520(19) Uani 1 1 d . . .
H37A H 0.8562 0.1454 0.7237 0.062 Uiso 1 1 calc R . .
C38A C 0.7946(4) 0.1782(4) 0.73891(14) 0.0497(18) Uani 1 1 d . . .
H38A H 0.7744 0.1416 0.7507 0.060 Uiso 1 1 calc R . .
C39A C 0.7737(4) 0.2286(4) 0.73788(14) 0.0504(18) Uani 1 1 d . . .
H39A H 0.7376 0.2251 0.7484 0.060 Uiso 1 1 calc R . .
C40A C 0.8065(3) 0.2853(4) 0.72097(14) 0.0452(17) Uani 1 1 d . . .
H40A H 0.7934 0.3207 0.7205 0.054 Uiso 1 1 calc R . .
C41A C 0.8455(3) 0.3434(3) 0.65727(13) 0.0385(15) Uani 1 1 d . . .
C42A C 0.7740(3) 0.2930(4) 0.65810(15) 0.0493(18) Uani 1 1 d . . .
H42A H 0.7540 0.2678 0.6728 0.059 Uiso 1 1 calc R . .
C43A C 0.7319(4) 0.2792(4) 0.63773(17) 0.060(2) Uani 1 1 d . . .
H43A H 0.6833 0.2443 0.6386 0.072 Uiso 1 1 calc R . .
C44A C 0.7589(4) 0.3151(4) 0.61616(16) 0.056(2) Uani 1 1 d . . .
H44A H 0.7294 0.3042 0.6022 0.067 Uiso 1 1 calc R . .
C45A C 0.8291(4) 0.3670(4) 0.61502(15) 0.0513(18) Uani 1 1 d . . .
H45A H 0.8475 0.3934 0.6004 0.062 Uiso 1 1 calc R . .
C46A C 0.8730(4) 0.3809(4) 0.63503(15) 0.0501(18) Uani 1 1 d . . .
H46A H 0.9217 0.4156 0.6339 0.060 Uiso 1 1 calc R . .
C47A C 0.9791(4) 0.7482(3) 0.68419(13) 0.0434(16) Uani 1 1 d . . .
C48A C 1.0141(4) 0.7829(4) 0.70545(15) 0.0548(19) Uani 1 1 d . . .
H48A H 1.0446 0.7701 0.7135 0.066 Uiso 1 1 calc R . .
C49A C 1.0038(5) 0.8382(4) 0.71509(18) 0.068(2) Uani 1 1 d . . .
H49A H 1.0277 0.8628 0.7295 0.081 Uiso 1 1 calc R . .
C50A C 0.9591(5) 0.8552(5) 0.70328(18) 0.067(2) Uani 1 1 d . . .
H50A H 0.9520 0.8917 0.7095 0.080 Uiso 1 1 calc R . .
C51A C 0.9246(5) 0.8200(5) 0.6825(2) 0.079(3) Uani 1 1 d . . .
H51A H 0.8935 0.8325 0.6747 0.095 Uiso 1 1 calc R . .
C52A C 0.9335(4) 0.7665(4) 0.67251(16) 0.057(2) Uani 1 1 d . . .
H52A H 0.9092 0.7429 0.6580 0.069 Uiso 1 1 calc R . .
B1 B 1.0000 0.0000 0.9162(2) 0.075(5) Uani 1 3 d SD . .
F1 F 1.0000 0.0000 0.8910(2) 0.124(4) Uani 1 3 d SD . .
F2 F 0.9901(4) 0.0537(3) 0.92467(15) 0.122(2) Uani 1 1 d D . .
B2 B 0.6667 0.3333 0.72906(17) 0.044(3) Uani 1 3 d SD . .
F3 F 0.7345(2) 0.3824(2) 0.73686(11) 0.0772(15) Uani 1 1 d D . .
F4 F 0.6667 0.3333 0.70399(16) 0.115(4) Uani 1 3 d SD . .
B3 B 0.0000 1.0000 0.76133(16) 0.047(3) Uani 1 3 d SD . .
F5 F 0.0350(3) 0.9661(3) 0.75318(10) 0.0934(17) Uani 1 1 d D . .
F6 F 0.0000 1.0000 0.78648(14) 0.073(2) Uani 1 3 d SD . .
B4 B 0.3333 0.6667 0.7390(3) 0.128(13) Uani 1 3 d SD . .
F7 F 0.3333 0.6667 0.7640(3) 0.271(13) Uani 1 3 d SD . .
F8 F 0.2969(5) 0.5991(4) 0.7305(2) 0.186(4) Uani 1 1 d D . .
B5 B 0.6667 0.3333 0.8809(2) 0.057(4) Uani 1 3 d SD . .
F9 F 0.6667 0.3333 0.85588(19) 0.186(7) Uani 1 3 d SD . .
F10 F 0.6320(4) 0.3662(4) 0.88953(16) 0.138(3) Uani 1 1 d D . .
B6 B 0.3333 0.6667 0.8865(4) 0.200 Uiso 1 3 d SD . .
F11 F 0.3333 0.6667 0.8587(3) 0.200 Uiso 1 3 d SD A .
F12 F 0.3710(14) 0.6243(14) 0.8884(3) 0.200 Uiso 0.50 1 d PD A 1
F12A F 0.2904(14) 0.5868(7) 0.8888(3) 0.200 Uiso 0.50 1 d PD A 2
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
O O 0.0106 0.0060 '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
C1 Pt1 N12 79.2(2) . .
C1 Pt1 P2 97.63(19) . .
N12 Pt1 P2 176.05(17) . .
C1 Pt1 P1 175.27(18) . .
N12 Pt1 P1 98.08(15) . .
P2 Pt1 P1 85.27(6) . .
C47 Se1 C20 97.0(3) . .
C23 P1 C29 107.6(3) . .
C23 P1 C16 105.1(3) . .
C29 P1 C16 101.5(3) . .
C23 P1 Pt1 119.6(2) . .
C29 P1 Pt1 116.1(2) . .
C16 P1 Pt1 104.6(2) . .
C41 P2 C35 107.1(3) . .
C41 P2 C17 106.0(3) . .
C35 P2 C17 102.7(3) . .
C41 P2 Pt1 114.8(2) . .
C35 P2 Pt1 112.8(2) . .
C17 P2 Pt1 112.5(2) . .
C16 O22 C19 96.4(5) . .
C15 N12 C14 107.3(6) . .
C15 N12 C11 109.3(5) . .
C14 N12 C11 108.8(6) . .
C15 N12 Pt1 108.3(4) . .
C14 N12 Pt1 115.6(4) . .
C11 N12 Pt1 107.4(4) . .
C10 C1 C2 118.6(6) . .
C10 C1 Pt1 113.7(5) . .
C2 C1 Pt1 127.3(5) . .
C3 C2 C1 119.7(7) . .
C2 C3 C4 122.6(7) . .
C3 C4 C5 122.4(7) . .
C3 C4 C9 118.2(6) . .
C5 C4 C9 119.4(7) . .
C6 C5 C4 121.6(8) . .
C5 C6 C7 119.5(8) . .
C8 C7 C6 121.4(8) . .
C7 C8 C9 120.3(7) . .
C4 C9 C8 117.8(6) . .
C4 C9 C10 119.0(6) . .
C8 C9 C10 123.2(6) . .
C1 C10 C9 121.8(6) . .
C1 C10 C11 117.7(6) . .
C9 C10 C11 120.5(6) . .
C13 C11 C10 110.0(6) . .
C13 C11 N12 113.0(6) . .
C10 C11 N12 105.8(6) . .
O22 C16 C21 101.9(5) . .
O22 C16 C17 99.6(5) . .
C21 C16 C17 110.4(6) . .
O22 C16 P1 111.2(4) . .
C21 C16 P1 119.9(5) . .
C17 C16 P1 111.6(5) . .
C18 C17 C16 99.2(6) . .
C18 C17 P2 115.9(5) . .
C16 C17 P2 107.6(4) . .
C17 C18 C19 102.4(5) . .
O22 C19 C20 101.3(5) . .
O22 C19 C18 104.6(6) . .
C20 C19 C18 108.7(7) . .
C19 C20 C21 99.7(6) . .
C19 C20 Se1 109.7(6) . .
C21 C20 Se1 112.4(5) . .
C20 C21 C16 103.0(6) . .
C20 C21 Cl1 110.3(5) . .
C16 C21 Cl1 115.5(5) . .
C24 C23 C28 118.7(7) . .
C24 C23 P1 118.9(6) . .
C28 C23 P1 122.4(6) . .
C25 C24 C23 121.2(8) . .
C24 C25 C26 119.5(9) . .
C27 C26 C25 120.2(8) . .
C26 C27 C28 120.4(8) . .
C27 C28 C23 120.0(8) . .
C30 C29 C34 118.8(7) . .
C30 C29 P1 117.8(5) . .
C34 C29 P1 123.3(6) . .
C29 C30 C31 119.1(7) . .
C32 C31 C30 121.9(8) . .
C31 C32 C33 120.0(8) . .
C34 C33 C32 119.0(7) . .
C33 C34 C29 121.2(7) . .
C36 C35 C40 119.7(7) . .
C36 C35 P2 119.4(5) . .
C40 C35 P2 120.8(6) . .
C35 C36 C37 119.5(8) . .
C38 C37 C36 120.5(9) . .
C37 C38 C39 120.5(8) . .
C38 C39 C40 119.7(9) . .
C35 C40 C39 120.0(9) . .
C46 C41 C42 119.5(7) . .
C46 C41 P2 118.6(6) . .
C42 C41 P2 121.9(6) . .
C43 C42 C41 119.8(9) . .
C44 C43 C42 120.2(9) . .
C43 C44 C45 121.3(9) . .
C44 C45 C46 119.3(9) . .
C41 C46 C45 119.8(8) . .
C48 C47 C52 119.6(9) . .
C48 C47 Se1 119.5(7) . .
C52 C47 Se1 120.9(8) . .
C47 C48 C49 118.7(10) . .
C50 C49 C48 120.8(11) . .
C51 C50 C49 118.2(12) . .
C50 C51 C52 121.0(11) . .
C47 C52 C51 121.4(11) . .
C1A Pt1A N12A 79.2(2) . .
C1A Pt1A P2A 98.05(19) . .
N12A Pt1A P2A 170.19(19) . .
C1A Pt1A P1A 171.5(2) . .
N12A Pt1A P1A 97.72(16) . .
P2A Pt1A P1A 86.23(6) . .
C47A Se1A C20A 100.4(3) . .
C29A P1A C23A 112.7(4) . .
C29A P1A C16A 103.2(3) . .
C23A P1A C16A 103.7(3) . .
C29A P1A Pt1A 117.2(3) . .
C23A P1A Pt1A 112.1(3) . .
C16A P1A Pt1A 106.4(2) . .
C35A P2A C41A 106.3(3) . .
C35A P2A C17A 103.5(3) . .
C41A P2A C17A 106.0(3) . .
C35A P2A Pt1A 110.4(2) . .
C41A P2A Pt1A 117.7(2) . .
C17A P2A Pt1A 111.9(2) . .
C16A O22A C19A 96.9(5) . .
C15A N12A C14A 109.0(7) . .
C15A N12A C11A 108.2(6) . .
C14A N12A C11A 110.1(6) . .
C15A N12A Pt1A 108.8(5) . .
C14A N12A Pt1A 116.2(5) . .
C11A N12A Pt1A 104.2(4) . .
C2A C1A C10A 117.6(6) . .
C2A C1A Pt1A 129.3(5) . .
C10A C1A Pt1A 112.6(5) . .
C3A C2A C1A 121.5(6) . .
C2A C3A C4A 121.4(7) . .
C5A C4A C9A 119.3(7) . .
C5A C4A C3A 121.9(7) . .
C9A C4A C3A 118.8(6) . .
C6A C5A C4A 119.7(8) . .
C5A C6A C7A 121.5(7) . .
C8A C7A C6A 119.6(7) . .
C7A C8A C9A 121.5(8) . .
C8A C9A C4A 118.3(7) . .
C8A C9A C10A 123.6(7) . .
C4A C9A C10A 118.1(6) . .
C1A C10A C9A 122.4(7) . .
C1A C10A C11A 116.5(6) . .
C9A C10A C11A 121.1(6) . .
C10A C11A C13A 112.8(7) . .
C10A C11A N12A 106.2(6) . .
C13A C11A N12A 111.7(7) . .
O22A C16A C17A 99.6(5) . .
O22A C16A C21A 101.8(5) . .
C17A C16A C21A 113.2(5) . .
O22A C16A P1A 110.5(4) . .
C17A C16A P1A 112.3(4) . .
C21A C16A P1A 117.3(5) . .
C18A C17A C16A 99.5(5) . .
C18A C17A P2A 115.9(5) . .
C16A C17A P2A 107.1(4) . .
C17A C18A C19A 102.3(5) . .
O22A C19A C20A 99.6(5) . .
O22A C19A C18A 103.1(5) . .
C20A C19A C18A 111.2(6) . .
C19A C20A C21A 100.7(5) . .
C19A C20A Se1A 108.8(5) . .
C21A C20A Se1A 110.9(5) . .
C20A C21A C16A 101.4(5) . .
C20A C21A Cl1A 112.4(5) . .
C16A C21A Cl1A 112.8(5) . .
C34A C29A C30A 117.2(9) . .
C34A C29A P1A 126.3(8) . .
C30A C29A P1A 116.5(6) . .
C29A C30A C31A 120.5(10) . .
C32A C31A C30A 120.1(12) . .
C33A C32A C31A 118.4(12) . .
C32A C33A C34A 122.4(12) . .
C33A C34A C29A 121.4(12) . .
C28A C23A C24A 118.8(8) . .
C28A C23A P1A 117.0(6) . .
C24A C23A P1A 123.7(8) . .
C25A C24A C23A 119.9(11) . .
C24A C25A C26A 120.4(11) . .
C27A C26A C25A 120.3(11) . .
C26A C27A C28A 119.4(13) . .
C27A C28A C23A 121.2(10) . .
C40A C35A C36A 117.8(6) . .
C40A C35A P2A 121.3(5) . .
C36A C35A P2A 120.9(5) . .
C37A C36A C35A 121.1(7) . .
C38A C37A C36A 121.1(7) . .
C37A C38A C39A 120.3(7) . .
C38A C39A C40A 119.7(7) . .
C35A C40A C39A 119.9(7) . .
C42A C41A C46A 117.9(7) . .
C42A C41A P2A 122.5(6) . .
C46A C41A P2A 119.6(5) . .
C43A C42A C41A 120.6(8) . .
C44A C43A C42A 121.3(8) . .
C43A C44A C45A 119.4(7) . .
C44A C45A C46A 120.5(8) . .
C45A C46A C41A 120.2(7) . .
C48A C47A C52A 120.2(7) . .
C48A C47A Se1A 120.1(5) . .
C52A C47A Se1A 119.6(6) . .
C47A C48A C49A 119.4(7) . .
C50A C49A C48A 119.2(8) . .
C51A C50A C49A 120.5(8) . .
C50A C51A C52A 122.1(8) . .
C51A C52A C47A 118.6(8) . .
F2 B1 F2 109.2(5) . 2_645
F2 B1 F2 109.2(5) . 3_765
F2 B1 F2 109.2(5) 2_645 3_765
F2 B1 F1 109.8(5) . .
F2 B1 F1 109.8(5) 2_645 .
F2 B1 F1 109.8(5) 3_765 .
F4 B2 F3 107.9(4) . 3_665
F4 B2 F3 107.9(4) . .
F3 B2 F3 111.0(4) 3_665 .
F4 B2 F3 107.9(4) . 2_655
F3 B2 F3 111.0(4) 3_665 2_655
F3 B2 F3 111.0(4) . 2_655
F6 B3 F5 108.9(4) . 2_675
F6 B3 F5 108.9(4) . 3_465
F5 B3 F5 110.1(4) 2_675 3_465
F6 B3 F5 108.9(4) . .
F5 B3 F5 110.1(4) 2_675 .
F5 B3 F5 110.1(4) 3_465 .
F8 B4 F8 108.9(6) 3_565 .
F8 B4 F8 108.9(6) 3_565 2_665
F8 B4 F8 108.9(6) . 2_665
F8 B4 F7 110.1(6) 3_565 .
F8 B4 F7 110.1(6) . .
F8 B4 F7 110.1(6) 2_665 .
F10 B5 F10 108.5(5) 3_665 2_655
F10 B5 F10 108.5(5) 3_665 .
F10 B5 F10 108.5(5) 2_655 .
F10 B5 F9 110.4(5) 3_665 .
F10 B5 F9 110.4(5) 2_655 .
F10 B5 F9 110.4(5) . .
F12A B6 F12A 119.3(3) 3_565 .
F12A B6 F12A 119.3(3) 3_565 2_665
F12A B6 F12A 119.3(3) . 2_665
F12A B6 F12 59.3(10) 3_565 2_665
F12A B6 F12 171.2(19) . 2_665
F12A B6 F12 60.3(10) 2_665 2_665
F12A B6 F12 60.3(10) 3_565 3_565
F12A B6 F12 59.3(10) . 3_565
F12A B6 F12 171.2(19) 2_665 3_565
F12 B6 F12 119.5(3) 2_665 3_565
F12A B6 F12 171.2(19) 3_565 .
F12A B6 F12 60.3(10) . .
F12A B6 F12 59.3(10) 2_665 .
F12 B6 F12 119.5(3) 2_665 .
F12 B6 F12 119.5(3) 3_565 .
F12A B6 F11 94.7(10) 3_565 .
F12A B6 F11 94.7(10) . .
F12A B6 F11 94.7(10) 2_665 .
F12 B6 F11 94.0(10) 2_665 .
F12 B6 F11 94.0(10) 3_565 .
F12 B6 F11 94.0(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 2.075(7) .
Pt1 N12 2.151(5) .
Pt1 P2 2.2488(16) .
Pt1 P1 2.3226(17) .
Se1 C47 1.891(9) .
Se1 C20 2.000(8) .
Cl1 C21 1.794(7) .
P1 C23 1.822(7) .
P1 C29 1.833(7) .
P1 C16 1.843(7) .
P2 C41 1.812(7) .
P2 C35 1.831(7) .
P2 C17 1.862(7) .
O22 C16 1.434(8) .
O22 C19 1.451(8) .
N12 C15 1.483(9) .
N12 C14 1.508(9) .
N12 C11 1.511(9) .
C1 C10 1.373(9) .
C1 C2 1.441(10) .
C2 C3 1.380(10) .
C3 C4 1.404(11) .
C4 C5 1.410(10) .
C4 C9 1.422(10) .
C5 C6 1.357(13) .
C6 C7 1.397(13) .
C7 C8 1.373(11) .
C8 C9 1.425(10) .
C9 C10 1.439(9) .
C10 C11 1.505(10) .
C11 C13 1.494(11) .
C16 C21 1.549(10) .
C16 C17 1.582(9) .
C17 C18 1.533(10) .
C18 C19 1.540(11) .
C19 C20 1.511(11) .
C20 C21 1.532(11) .
C23 C24 1.392(11) .
C23 C28 1.398(10) .
C24 C25 1.366(11) .
C25 C26 1.395(13) .
C26 C27 1.370(14) .
C27 C28 1.384(12) .
C29 C30 1.377(10) .
C29 C34 1.383(9) .
C30 C31 1.385(11) .
C31 C32 1.331(11) .
C32 C33 1.384(12) .
C33 C34 1.372(11) .
C35 C36 1.376(11) .
C35 C40 1.379(10) .
C36 C37 1.384(11) .
C37 C38 1.356(14) .
C38 C39 1.369(14) .
C39 C40 1.382(12) .
C41 C46 1.396(11) .
C41 C42 1.399(10) .
C42 C43 1.379(12) .
C43 C44 1.370(16) .
C44 C45 1.375(15) .
C45 C46 1.397(12) .
C47 C48 1.371(14) .
C47 C52 1.383(13) .
C48 C49 1.437(17) .
C49 C50 1.398(18) .
C50 C51 1.368(17) .
C51 C52 1.386(15) .
Pt1A C1A 2.068(6) .
Pt1A N12A 2.155(5) .
Pt1A P2A 2.2359(16) .
Pt1A P1A 2.2912(18) .
Se1A C47A 1.909(7) .
Se1A C20A 1.955(7) .
Cl1A C21A 1.800(7) .
P1A C29A 1.804(9) .
P1A C23A 1.815(8) .
P1A C16A 1.853(7) .
P2A C35A 1.816(7) .
P2A C41A 1.817(7) .
P2A C17A 1.888(6) .
O22A C16A 1.428(8) .
O22A C19A 1.451(8) .
N12A C15A 1.492(11) .
N12A C14A 1.494(10) .
N12A C11A 1.524(9) .
C1A C2A 1.404(10) .
C1A C10A 1.405(9) .
C2A C3A 1.370(10) .
C3A C4A 1.420(10) .
C4A C5A 1.413(10) .
C4A C9A 1.418(11) .
C5A C6A 1.371(11) .
C6A C7A 1.376(12) .
C7A C8A 1.376(11) .
C8A C9A 1.399(10) .
C9A C10A 1.424(10) .
C10A C11A 1.489(10) .
C11A C13A 1.520(13) .
C16A C17A 1.560(9) .
C16A C21A 1.568(9) .
C17A C18A 1.537(9) .
C18A C19A 1.554(10) .
C19A C20A 1.525(9) .
C20A C21A 1.545(10) .
C29A C34A 1.397(12) .
C29A C30A 1.397(12) .
C30A C31A 1.406(14) .
C31A C32A 1.395(18) .
C32A C33A 1.355(18) .
C33A C34A 1.360(15) .
C23A C28A 1.374(13) .
C23A C24A 1.375(10) .
C24A C25A 1.368(15) .
C25A C26A 1.374(19) .
C26A C27A 1.353(17) .
C27A C28A 1.370(13) .
C35A C40A 1.382(10) .
C35A C36A 1.396(9) .
C36A C37A 1.363(10) .
C37A C38A 1.337(11) .
C38A C39A 1.372(10) .
C39A C40A 1.406(10) .
C41A C42A 1.376(9) .
C41A C46A 1.407(10) .
C42A C43A 1.365(11) .
C43A C44A 1.361(12) .
C44A C45A 1.365(11) .
C45A C46A 1.371(11) .
C47A C48A 1.376(10) .
C47A C52A 1.384(10) .
C48A C49A 1.422(11) .
C49A C50A 1.354(12) .
C50A C51A 1.352(13) .
C51A C52A 1.376(12) .
B1 F2 1.361(5) .
B1 F2 1.361(5) 2_645
B1 F2 1.361(5) 3_765
B1 F1 1.362(7) .
B2 F4 1.357(7) .
B2 F3 1.378(4) 3_665
B2 F3 1.378(4) .
B2 F3 1.378(4) 2_655
B3 F6 1.362(7) .
B3 F5 1.363(4) 2_675
B3 F5 1.363(4) 3_465
B3 F5 1.363(4) .
B4 F8 1.348(6) 3_565
B4 F8 1.348(6) .
B4 F8 1.348(6) 2_665
B4 F7 1.352(8) .
B5 F10 1.349(5) 3_665
B5 F10 1.349(5) 2_655
B5 F10 1.349(5) .
B5 F9 1.352(7) .
B6 F12A 1.502(12) 3_565
B6 F12A 1.502(12) .
B6 F12A 1.502(12) 2_665
B6 F12 1.504(12) 2_665
B6 F12 1.504(12) 3_565
B6 F12 1.504(12) .
B6 F11 1.505(12) .
