#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:41:08 +0100 (vie 25 de mar de 2016) $
#$Revision: 179759 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005508.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_7005508
loop_
_publ_author_name
'Macías, Ramón'
'Bould, Jonathan'
'Holub, Josef'
'Kennedy, John D.'
'Stíbr, Bohumil'
'Thornton-Pett, Mark'
_publ_section_title
;
 Polyhedral metallaheteroborane chemistry. Synthesis, spectroscopy,
 structure and dynamics of eleven-vertex {RhNB(9)} and {PtCB(9)}
 metallaheteroboranes.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2885
_journal_page_last               2897
_journal_paper_doi               10.1039/b702767b
_journal_year                    2007
_chemical_formula_moiety         'C18 H35 B9 O P2 Pt'
_chemical_formula_sum            'C18 H35 B9 O P2 Pt'
_chemical_formula_weight         621.78
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_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                 99.890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.217(2)
_cell_length_b                   13.785(2)
_cell_length_c                   20.778(4)
_cell_measurement_reflns_used    60
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.0
_cell_volume                     5140.3(14)
_computing_cell_refinement       'STAD14 (STOE, 1995)'
_computing_data_collection       'STAD14 (STOE, 1995)'
_computing_data_reduction        'X-RED (STOE, 1995)'
_computing_molecular_graphics
'ORTEP3 for Windows (Farrugia, 1997) Xseed (Barbour, 2001)'
_computing_publication_material  'enCIFer (CCDC 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe STADI4 4-circle diffractometer'
_diffrn_measurement_method       'omega two theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9459
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.02
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        10
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.594
_exptl_absorpt_correction_T_max  0.4008
_exptl_absorpt_correction_T_min  0.1807
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2432
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.984
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     605
_refine_ls_number_reflns         9034
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0202
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0319P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0505
_reflns_number_gt                7155
_reflns_number_total             9034
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702767b.txt
_cod_data_source_block           '[9-(OMe)-8,8-(PMe2Ph)-nido-8,7-PtCB9H10]'
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               7005508
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
P1 P 0.23977(5) 0.29007(6) 0.18431(4) 0.02340(19) Uani 1 1 d . . .
P2 P 0.38354(5) 0.30831(7) 0.09729(5) 0.0254(2) Uani 1 1 d . . .
P3 P 0.22288(5) 0.24795(6) 0.67220(4) 0.02233(19) Uani 1 1 d . . .
P4 P 0.36635(5) 0.22076(6) 0.58481(5) 0.02300(19) Uani 1 1 d . . .
C11 C 0.1493(2) 0.2575(3) 0.20322(19) 0.0323(9) Uani 1 1 d . . .
H11G H 0.1344 0.1940 0.1842 0.048 Uiso 1 1 calc R . .
H11I H 0.1125 0.3063 0.1849 0.048 Uiso 1 1 calc R . .
H11H H 0.1523 0.2547 0.2507 0.048 Uiso 1 1 calc R . .
C12 C 0.2569(2) 0.4049(3) 0.22606(18) 0.0311(8) Uani 1 1 d . . .
H12E H 0.2453 0.3993 0.2702 0.047 Uiso 1 1 calc R . .
H12F H 0.2253 0.4550 0.2019 0.047 Uiso 1 1 calc R . .
H12D H 0.3094 0.4228 0.2287 0.047 Uiso 1 1 calc R . .
C21 C 0.43945(19) 0.1991(3) 0.1121(2) 0.0389(10) Uani 1 1 d . . .
H20A H 0.4923 0.2157 0.1152 0.058 Uiso 1 1 calc R . .
H20B H 0.4249 0.1534 0.0760 0.058 Uiso 1 1 calc R . .
H20C H 0.4314 0.1692 0.1531 0.058 Uiso 1 1 calc R . .
C22 C 0.4176(2) 0.3645(3) 0.02858(19) 0.0425(10) Uani 1 1 d . . .
H24A H 0.4707 0.3795 0.0412 0.064 Uiso 1 1 calc R . .
H24B H 0.3899 0.4244 0.0162 0.064 Uiso 1 1 calc R . .
H24C H 0.4106 0.3197 -0.0086 0.064 Uiso 1 1 calc R . .
C31 C 0.13190(19) 0.2801(3) 0.69035(18) 0.0303(8) Uani 1 1 d . . .
H31A H 0.0951 0.2319 0.6710 0.045 Uiso 1 1 calc R . .
H31B H 0.1175 0.3442 0.6721 0.045 Uiso 1 1 calc R . .
H31C H 0.1341 0.2815 0.7378 0.045 Uiso 1 1 calc R . .
C32 C 0.2403(2) 0.1342(2) 0.71492(18) 0.0302(8) Uani 1 1 d . . .
H32A H 0.2931 0.1174 0.7188 0.045 Uiso 1 1 calc R . .
H32B H 0.2099 0.0832 0.6906 0.045 Uiso 1 1 calc R . .
H32C H 0.2273 0.1401 0.7586 0.045 Uiso 1 1 calc R . .
C41 C 0.3932(2) 0.1450(3) 0.52122(19) 0.0343(9) Uani 1 1 d . . .
H41A H 0.4473 0.1352 0.5299 0.051 Uiso 1 1 calc R . .
H41B H 0.3787 0.1768 0.4788 0.051 Uiso 1 1 calc R . .
H41C H 0.3680 0.0821 0.5207 0.051 Uiso 1 1 calc R . .
C42 C 0.42195(19) 0.3297(3) 0.58290(19) 0.0335(9) Uani 1 1 d . . .
H17A H 0.4122 0.3745 0.6171 0.050 Uiso 1 1 calc R . .
H17B H 0.4087 0.3611 0.5402 0.050 Uiso 1 1 calc R . .
H17C H 0.4749 0.3125 0.5904 0.050 Uiso 1 1 calc R . .
H89 H 0.181(2) 0.122(2) 0.4906(19) 0.038(11) Uiso 1 1 d . . .
H101 H 0.203(2) 0.417(3) 0.0092(19) 0.040(11) Uiso 1 1 d . . .
C131 C 0.30125(19) 0.2019(3) 0.23141(18) 0.0289(8) Uani 1 1 d . . .
C132 C 0.3434(2) 0.2223(3) 0.29184(19) 0.0391(10) Uani 1 1 d . . .
H132 H 0.3407 0.2848 0.3105 0.047 Uiso 1 1 calc R . .
C133 C 0.3896(2) 0.1518(4) 0.3255(2) 0.0526(12) Uani 1 1 d . . .
H133 H 0.4189 0.1666 0.3667 0.063 Uiso 1 1 calc R . .
C134 C 0.3928(2) 0.0612(4) 0.2991(3) 0.0549(13) Uani 1 1 d . . .
H134 H 0.4244 0.0133 0.3222 0.066 Uiso 1 1 calc R . .
C135 C 0.3505(3) 0.0388(3) 0.2392(3) 0.0530(13) Uani 1 1 d . . .
H135 H 0.3525 -0.0244 0.2213 0.064 Uiso 1 1 calc R . .
C136 C 0.3050(2) 0.1097(3) 0.2053(2) 0.0397(10) Uani 1 1 d . . .
H136 H 0.2762 0.0948 0.1639 0.048 Uiso 1 1 calc R . .
C231 C 0.41878(17) 0.3911(2) 0.16407(17) 0.0226(7) Uani 1 1 d . . .
C232 C 0.40380(19) 0.4899(2) 0.15434(18) 0.0286(8) Uani 1 1 d . . .
H232 H 0.3801 0.5123 0.1127 0.034 Uiso 1 1 calc R . .
C233 C 0.4231(2) 0.5555(3) 0.20482(19) 0.0324(9) Uani 1 1 d . . .
H233 H 0.4140 0.6227 0.1975 0.039 Uiso 1 1 calc R . .
C234 C 0.4558(2) 0.5229(3) 0.26594(19) 0.0335(9) Uani 1 1 d . . .
H234 H 0.4670 0.5674 0.3012 0.040 Uiso 1 1 calc R . .
C235 C 0.4720(2) 0.4254(3) 0.27577(19) 0.0334(9) Uani 1 1 d . . .
H235 H 0.4953 0.4034 0.3176 0.040 Uiso 1 1 calc R . .
C236 C 0.45456(18) 0.3596(2) 0.22490(17) 0.0274(8) Uani 1 1 d . . .
H236 H 0.4671 0.2930 0.2317 0.033 Uiso 1 1 calc R . .
C331 C 0.28363(18) 0.3378(2) 0.71874(17) 0.0252(8) Uani 1 1 d . . .
C332 C 0.2952(2) 0.4255(2) 0.68845(19) 0.0305(8) Uani 1 1 d . . .
H332 H 0.2712 0.4374 0.6449 0.037 Uiso 1 1 calc R . .
C333 C 0.3417(2) 0.4951(3) 0.7219(2) 0.0365(9) Uani 1 1 d . . .
H333 H 0.3496 0.5546 0.7011 0.044 Uiso 1 1 calc R . .
C334 C 0.3764(2) 0.4783(3) 0.7854(2) 0.0381(10) Uani 1 1 d . . .
H334 H 0.4087 0.5258 0.8082 0.046 Uiso 1 1 calc R . .
C335 C 0.3641(2) 0.3926(3) 0.81515(19) 0.0414(10) Uani 1 1 d . . .
H335 H 0.3881 0.3810 0.8588 0.050 Uiso 1 1 calc R . .
C336 C 0.3173(2) 0.3229(3) 0.78258(18) 0.0338(9) Uani 1 1 d . . .
H336 H 0.3084 0.2645 0.8043 0.041 Uiso 1 1 calc R . .
C431 C 0.40757(18) 0.1594(2) 0.65930(18) 0.0274(8) Uani 1 1 d . . .
C432 C 0.4401(2) 0.2103(3) 0.71463(19) 0.0365(9) Uani 1 1 d . . .
H432 H 0.4433 0.2791 0.7132 0.044 Uiso 1 1 calc R . .
C433 C 0.4679(2) 0.1616(4) 0.7718(2) 0.0527(12) Uani 1 1 d . . .
H433 H 0.4895 0.1968 0.8097 0.063 Uiso 1 1 calc R . .
C434 C 0.4642(3) 0.0620(4) 0.7736(3) 0.0632(15) Uani 1 1 d . . .
H434 H 0.4842 0.0284 0.8126 0.076 Uiso 1 1 calc R . .
C435 C 0.4318(3) 0.0107(3) 0.7196(3) 0.0548(13) Uani 1 1 d . . .
H435 H 0.4287 -0.0580 0.7216 0.066 Uiso 1 1 calc R . .
C436 C 0.4037(2) 0.0590(3) 0.6622(2) 0.0388(10) Uani 1 1 d . . .
H436 H 0.3816 0.0233 0.6247 0.047 Uiso 1 1 calc R . .
B1A B 0.1152(2) 0.2086(4) -0.0449(2) 0.0413(11) Uani 1 1 d . . .
H1A H 0.0708 0.1540 -0.0626 0.050 Uiso 1 1 calc R . .
B2A B 0.1348(2) 0.2405(3) 0.0392(2) 0.0307(10) Uani 1 1 d . . .
H2A H 0.1073 0.2031 0.0765 0.037 Uiso 1 1 calc R . .
B3A B 0.2022(2) 0.1715(3) -0.0014(2) 0.0346(10) Uani 1 1 d . . .
H3A H 0.2153 0.0934 0.0102 0.042 Uiso 1 1 calc R . .
B4A B 0.1947(3) 0.2160(4) -0.0815(2) 0.0502(14) Uani 1 1 d . . .
H4A H 0.2000 0.1699 -0.1249 0.060 Uiso 1 1 calc R . .
B5A B 0.1358(3) 0.3159(4) -0.0892(2) 0.0491(13) Uani 1 1 d . . .
H5A H 0.1079 0.3363 -0.1396 0.059 Uiso 1 1 calc R . .
B6A B 0.0883(2) 0.3237(4) -0.0199(2) 0.0411(11) Uani 1 1 d . . .
H6A H 0.0275 0.3409 -0.0249 0.049 Uiso 1 1 calc R . .
Pt7A Pt 0.254471(7) 0.279232(9) 0.078158(6) 0.02095(4) Uani 1 1 d . . .
C8A C 0.2640(2) 0.2473(3) -0.0218(2) 0.0357(9) Uani 1 1 d . . .
H8A H 0.315(2) 0.222(3) -0.026(2) 0.042(11) Uiso 1 1 d . . .
B9A B 0.2318(3) 0.3368(4) -0.0657(2) 0.0435(12) Uani 1 1 d . . .
H9A H 0.2690(19) 0.377(2) -0.0952(18) 0.031(10) Uiso 1 1 d . . .
B10A B 0.1548(3) 0.4130(4) -0.0340(3) 0.0409(11) Uani 1 1 d . . .
H10A H 0.143(2) 0.484(3) -0.054(2) 0.057(13) Uiso 1 1 d . . .
O11A O 0.13191(14) 0.42965(17) 0.09651(13) 0.0361(6) Uani 1 1 d . . .
C11A C 0.1247(3) 0.5322(3) 0.0854(3) 0.0762(18) Uani 1 1 d . . .
H11F H 0.1676 0.5559 0.0672 0.114 Uiso 1 1 calc R . .
H11E H 0.1229 0.5653 0.1268 0.114 Uiso 1 1 calc R . .
H11D H 0.0788 0.5455 0.0546 0.114 Uiso 1 1 calc R . .
B11A B 0.1477(2) 0.3707(3) 0.0473(2) 0.0300(9) Uani 1 1 d . . .
B1B B 0.1027(2) 0.3364(3) 0.4434(2) 0.0301(9) Uani 1 1 d . . .
H1B H 0.0610 0.3948 0.4268 0.036 Uiso 1 1 calc R . .
B2B B 0.1206(2) 0.3007(3) 0.5269(2) 0.0255(9) Uani 1 1 d . . .
H2B H 0.090(2) 0.337(3) 0.5614(19) 0.043(11) Uiso 1 1 d . . .
B3B B 0.0710(2) 0.2224(3) 0.4664(2) 0.0298(9) Uani 1 1 d . . .
H3B H 0.0097 0.2088 0.4617 0.036 Uiso 1 1 calc R . .
B4B B 0.1173(3) 0.2300(3) 0.3969(2) 0.0341(10) Uani 1 1 d . . .
H4B H 0.0873 0.2137 0.3464 0.041 Uiso 1 1 calc R . .
B5B B 0.1814(2) 0.3252(3) 0.4064(2) 0.0307(9) Uani 1 1 d . . .
H5B H 0.1888 0.3728 0.3643 0.037 Uiso 1 1 calc R . .
B6B B 0.1916(2) 0.3657(3) 0.4880(2) 0.0268(9) Uani 1 1 d . . .
H6B H 0.2088 0.4421 0.5013 0.032 Uiso 1 1 calc R . .
Pt7B Pt 0.238399(7) 0.255645(9) 0.565970(6) 0.01938(4) Uani 1 1 d . . .
O8B O 0.11276(13) 0.11061(16) 0.58168(12) 0.0278(5) Uani 1 1 d . . .
C8B C 0.1061(3) 0.0083(3) 0.5713(2) 0.0547(13) Uani 1 1 d . . .
H30A H 0.0612 -0.0055 0.5393 0.082 Uiso 1 1 calc R . .
H30B H 0.1025 -0.0240 0.6126 0.082 Uiso 1 1 calc R . .
H30C H 0.1500 -0.0157 0.5549 0.082 Uiso 1 1 calc R . .
B8B B 0.1298(2) 0.1703(3) 0.5325(2) 0.0250(9) Uani 1 1 d . . .
B9B B 0.1342(2) 0.1296(3) 0.4497(2) 0.0303(9) Uani 1 1 d . . .
H9B H 0.1153(18) 0.060(2) 0.4275(17) 0.028(9) Uiso 1 1 d . . .
B10B B 0.2128(3) 0.2016(3) 0.4180(2) 0.0326(10) Uani 1 1 d . . .
H10B H 0.2438(19) 0.160(3) 0.3885(18) 0.035(10) Uiso 1 1 d . . .
C11B C 0.2492(2) 0.2856(3) 0.46559(18) 0.0295(8) Uani 1 1 d . . .
H11B H 0.2990(18) 0.308(2) 0.4631(16) 0.018(8) Uiso 1 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'
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'
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
C12 P1 C11 101.60(17) . . ?
C12 P1 C131 106.70(17) . . ?
C11 P1 C131 102.48(16) . . ?
C12 P1 Pt7A 118.98(13) . . ?
C11 P1 Pt7A 117.18(13) . . ?
C131 P1 Pt7A 108.29(12) . . ?
C21 P2 C22 103.2(2) . . ?
C21 P2 C231 106.01(17) . . ?
C22 P2 C231 101.95(17) . . ?
C21 P2 Pt7A 113.78(12) . . ?
C22 P2 Pt7A 113.89(13) . . ?
C231 P2 Pt7A 116.49(11) . . ?
C32 P3 C31 101.50(17) . . ?
C32 P3 C331 106.87(17) . . ?
C31 P3 C331 102.50(16) . . ?
C32 P3 Pt7B 118.53(13) . . ?
C31 P3 Pt7B 117.38(13) . . ?
C331 P3 Pt7B 108.51(12) . . ?
C431 P4 C41 103.27(17) . . ?
C431 P4 C42 104.71(17) . . ?
C41 P4 C42 103.85(18) . . ?
C431 P4 Pt7B 119.53(11) . . ?
C41 P4 Pt7B 112.35(13) . . ?
C42 P4 Pt7B 111.64(12) . . ?
P1 C11 H11G 109.5 . . ?
P1 C11 H11I 109.5 . . ?
H11G C11 H11I 109.5 . . ?
P1 C11 H11H 109.5 . . ?
H11G C11 H11H 109.5 . . ?
H11I C11 H11H 109.5 . . ?
P1 C12 H12E 109.5 . . ?
P1 C12 H12F 109.5 . . ?
H12E C12 H12F 109.5 . . ?
P1 C12 H12D 109.5 . . ?
H12E C12 H12D 109.5 . . ?
H12F C12 H12D 109.5 . . ?
P2 C21 H20A 109.5 . . ?
P2 C21 H20B 109.5 . . ?
H20A C21 H20B 109.5 . . ?
P2 C21 H20C 109.5 . . ?
H20A C21 H20C 109.5 . . ?
H20B C21 H20C 109.5 . . ?
P2 C22 H24A 109.5 . . ?
P2 C22 H24B 109.5 . . ?
H24A C22 H24B 109.5 . . ?
P2 C22 H24C 109.5 . . ?
H24A C22 H24C 109.5 . . ?
H24B C22 H24C 109.5 . . ?
P3 C31 H31A 109.5 . . ?
P3 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
P3 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
P3 C32 H32A 109.5 . . ?
P3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
P3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
P4 C41 H41A 109.5 . . ?
P4 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
P4 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
P4 C42 H17A 109.5 . . ?
P4 C42 H17B 109.5 . . ?
H17A C42 H17B 109.5 . . ?
P4 C42 H17C 109.5 . . ?
H17A C42 H17C 109.5 . . ?
H17B C42 H17C 109.5 . . ?
C132 C131 C136 118.9(4) . . ?
C132 C131 P1 123.1(3) . . ?
C136 C131 P1 117.9(3) . . ?
C131 C132 C133 120.5(4) . . ?
C131 C132 H132 119.8 . . ?
C133 C132 H132 119.8 . . ?
C134 C133 C132 119.9(4) . . ?
C134 C133 H133 120.0 . . ?
C132 C133 H133 120.0 . . ?
C133 C134 C135 120.6(4) . . ?
C133 C134 H134 119.7 . . ?
C135 C134 H134 119.7 . . ?
C134 C135 C136 119.4(4) . . ?
C134 C135 H135 120.3 . . ?
C136 C135 H135 120.3 . . ?
C131 C136 C135 120.7(4) . . ?
C131 C136 H136 119.7 . . ?
C135 C136 H136 119.7 . . ?
C236 C231 C232 119.1(3) . . ?
C236 C231 P2 123.0(3) . . ?
C232 C231 P2 117.7(3) . . ?
C233 C232 C231 120.6(3) . . ?
C233 C232 H232 119.7 . . ?
C231 C232 H232 119.7 . . ?
C234 C233 C232 119.9(3) . . ?
C234 C233 H233 120.1 . . ?
C232 C233 H233 120.1 . . ?
C233 C234 C235 119.9(3) . . ?
C233 C234 H234 120.0 . . ?
C235 C234 H234 120.0 . . ?
C234 C235 C236 120.5(4) . . ?
C234 C235 H235 119.7 . . ?
C236 C235 H235 119.7 . . ?
C235 C236 C231 119.9(3) . . ?
C235 C236 H236 120.0 . . ?
C231 C236 H236 120.0 . . ?
C336 C331 C332 119.1(3) . . ?
C336 C331 P3 122.6(3) . . ?
C332 C331 P3 118.3(3) . . ?
C333 C332 C331 120.0(4) . . ?
C333 C332 H332 120.0 . . ?
C331 C332 H332 120.0 . . ?
C334 C333 C332 120.2(4) . . ?
C334 C333 H333 119.9 . . ?
C332 C333 H333 119.9 . . ?
C335 C334 C333 119.5(3) . . ?
C335 C334 H334 120.3 . . ?
C333 C334 H334 120.3 . . ?
C334 C335 C336 120.9(4) . . ?
C334 C335 H335 119.5 . . ?
C336 C335 H335 119.5 . . ?
C331 C336 C335 120.2(4) . . ?
C331 C336 H336 119.9 . . ?
C335 C336 H336 119.9 . . ?
C436 C431 C432 119.0(4) . . ?
C436 C431 P4 119.1(3) . . ?
C432 C431 P4 121.8(3) . . ?
C433 C432 C431 120.5(4) . . ?
C433 C432 H432 119.8 . . ?
C431 C432 H432 119.8 . . ?
C434 C433 C432 119.7(4) . . ?
C434 C433 H433 120.2 . . ?
C432 C433 H433 120.2 . . ?
C435 C434 C433 120.6(4) . . ?
C435 C434 H434 119.7 . . ?
C433 C434 H434 119.7 . . ?
C434 C435 C436 120.1(4) . . ?
C434 C435 H435 120.0 . . ?
C436 C435 H435 120.0 . . ?
C435 C436 C431 120.2(4) . . ?
C435 C436 H436 119.9 . . ?
C431 C436 H436 119.9 . . ?
B4A B1A B3A 60.0(3) . . ?
B4A B1A B6A 111.6(4) . . ?
B3A B1A B6A 112.5(3) . . ?
B4A B1A B2A 111.8(3) . . ?
B3A B1A B2A 63.7(3) . . ?
B6A B1A B2A 60.5(3) . . ?
B4A B1A B5A 58.3(3) . . ?
B3A B1A B5A 104.5(3) . . ?
B6A B1A B5A 60.5(3) . . ?
B2A B1A B5A 105.8(3) . . ?
B4A B1A H1A 120.0 . . ?
B3A B1A H1A 120.6 . . ?
B6A B1A H1A 118.7 . . ?
B2A B1A H1A 120.1 . . ?
B5A B1A H1A 125.5 . . ?
B1A B2A B6A 59.4(3) . . ?
B1A B2A B11A 109.7(3) . . ?
B6A B2A B11A 57.8(2) . . ?
B1A B2A B3A 57.7(2) . . ?
B6A B2A B3A 106.8(3) . . ?
B11A B2A B3A 117.5(3) . . ?
B1A B2A Pt7A 115.5(3) . . ?
B6A B2A Pt7A 114.2(3) . . ?
B11A B2A Pt7A 68.31(18) . . ?
B3A B2A Pt7A 67.21(18) . . ?
B1A B2A H2A 121.9 . . ?
B6A B2A H2A 123.9 . . ?
B11A B2A H2A 117.2 . . ?
B3A B2A H2A 119.1 . . ?
Pt7A B2A H2A 112.3 . . ?
C8A B3A B4A 58.7(3) . . ?
C8A B3A B1A 106.2(4) . . ?
B4A B3A B1A 59.7(3) . . ?
C8A B3A B2A 109.0(3) . . ?
B4A B3A B2A 107.4(3) . . ?
B1A B3A B2A 58.6(2) . . ?
C8A B3A Pt7A 63.74(19) . . ?
B4A B3A Pt7A 114.2(3) . . ?
B1A B3A Pt7A 113.9(3) . . ?
B2A B3A Pt7A 64.47(18) . . ?
C8A B3A H3A 122.5 . . ?
B4A B3A H3A 121.3 . . ?
B1A B3A H3A 122.0 . . ?
B2A B3A H3A 121.7 . . ?
Pt7A B3A H3A 114.7 . . ?
C8A B4A B5A 103.9(4) . . ?
C8A B4A B1A 105.6(3) . . ?
B5A B4A B1A 62.7(3) . . ?
C8A B4A B3A 57.3(3) . . ?
B5A B4A B3A 108.1(4) . . ?
B1A B4A B3A 60.2(3) . . ?
C8A B4A B9A 54.2(3) . . ?
B5A B4A B9A 59.5(3) . . ?
B1A B4A B9A 106.6(4) . . ?
B3A B4A B9A 100.6(3) . . ?
C8A B4A H4A 125.9 . . ?
B5A B4A H4A 120.9 . . ?
B1A B4A H4A 120.5 . . ?
B3A B4A H4A 124.0 . . ?
B9A B4A H4A 126.1 . . ?
B4A B5A B10A 119.6(4) . . ?
B4A B5A B9A 62.2(3) . . ?
B10A B5A B9A 67.6(3) . . ?
B4A B5A B6A 110.4(4) . . ?
B10A B5A B6A 60.2(3) . . ?
B9A B5A B6A 111.1(3) . . ?
B4A B5A B1A 59.0(3) . . ?
B10A B5A B1A 109.0(3) . . ?
B9A B5A B1A 106.0(4) . . ?
B6A B5A B1A 58.4(3) . . ?
B4A B5A H5A 117.3 . . ?
B10A B5A H5A 115.3 . . ?
B9A B5A H5A 119.2 . . ?
B6A B5A H5A 122.0 . . ?
B1A B5A H5A 125.4 . . ?
B11A B6A B1A 113.9(3) . . ?
B11A B6A B2A 61.9(2) . . ?
B1A B6A B2A 60.1(3) . . ?
B11A B6A B10A 61.9(3) . . ?
B1A B6A B10A 109.9(3) . . ?
B2A B6A B10A 107.5(3) . . ?
B11A B6A B5A 110.2(3) . . ?
B1A B6A B5A 61.1(3) . . ?
B2A B6A B5A 105.9(3) . . ?
B10A B6A B5A 58.6(3) . . ?
B11A B6A H6A 117.7 . . ?
B1A B6A H6A 118.9 . . ?
B2A B6A H6A 123.0 . . ?
B10A B6A H6A 121.8 . . ?
B5A B6A H6A 122.7 . . ?
C8A Pt7A B2A 80.73(16) . . ?
C8A Pt7A P1 171.74(11) . . ?
B2A Pt7A P1 95.53(12) . . ?
C8A Pt7A B3A 43.07(15) . . ?
B2A Pt7A B3A 48.31(15) . . ?
P1 Pt7A B3A 129.52(12) . . ?
C8A Pt7A B11A 92.75(16) . . ?
B2A Pt7A B11A 46.76(14) . . ?
P1 Pt7A B11A 89.96(12) . . ?
B3A Pt7A B11A 85.91(15) . . ?
C8A Pt7A P2 87.35(11) . . ?
B2A Pt7A P2 167.98(12) . . ?
P1 Pt7A P2 96.08(3) . . ?
B3A Pt7A P2 120.61(11) . . ?
B11A Pt7A P2 136.27(11) . . ?
B9A C8A B3A 116.1(3) . . ?
B9A C8A B4A 67.3(3) . . ?
B3A C8A B4A 64.1(3) . . ?
B9A C8A Pt7A 108.2(3) . . ?
B3A C8A Pt7A 73.2(2) . . ?
B4A C8A Pt7A 126.4(3) . . ?
B9A C8A H8A 118(2) . . ?
B3A C8A H8A 119(2) . . ?
B4A C8A H8A 116(2) . . ?
Pt7A C8A H8A 112(2) . . ?
C8A B9A B5A 106.5(4) . . ?
C8A B9A B4A 58.5(3) . . ?
B5A B9A B4A 58.3(3) . . ?
C8A B9A B10A 116.1(3) . . ?
B5A B9A B10A 56.2(3) . . ?
B4A B9A B10A 106.8(3) . . ?
C8A B9A H9A 119.6(18) . . ?
B5A B9A H9A 126.1(18) . . ?
B4A B9A H9A 126.2(18) . . ?
B10A B9A H9A 116.8(18) . . ?
B5A B10A B6A 61.2(3) . . ?
B5A B10A B11A 109.0(3) . . ?
B6A B10A B11A 57.8(3) . . ?
B5A B10A B9A 56.2(3) . . ?
B6A B10A B9A 103.4(3) . . ?
B11A B10A B9A 108.1(3) . . ?
B5A B10A H101 126.2(18) . . ?
B6A B10A H101 111.1(18) . . ?
B11A B10A H101 56.9(18) . . ?
B9A B10A H101 78.1(18) . . ?
B5A B10A H10A 116(2) . . ?
B6A B10A H10A 126(2) . . ?
B11A B10A H10A 128(2) . . ?
B9A B10A H10A 118(2) . . ?
H101 B10A H10A 110(3) . . ?
B11A O11A C11A 119.2(3) . . ?
O11A C11A H11F 109.5 . . ?
O11A C11A H11E 109.5 . . ?
H11F C11A H11E 109.5 . . ?
O11A C11A H11D 109.5 . . ?
H11F C11A H11D 109.5 . . ?
H11E C11A H11D 109.5 . . ?
O11A B11A B6A 129.5(3) . . ?
O11A B11A B2A 127.9(3) . . ?
B6A B11A B2A 60.3(2) . . ?
O11A B11A B10A 124.1(3) . . ?
B6A B11A B10A 60.3(3) . . ?
B2A B11A B10A 105.1(3) . . ?
O11A B11A Pt7A 113.0(3) . . ?
B6A B11A Pt7A 113.4(3) . . ?
B2A B11A Pt7A 64.93(18) . . ?
B10A B11A Pt7A 104.0(2) . . ?
O11A B11A H101 112.2(14) . . ?
B6A B11A H101 96.6(15) . . ?
B2A B11A H101 117.0(14) . . ?
B10A B11A H101 38.9(14) . . ?
Pt7A B11A H101 77.0(14) . . ?
B5B B1B B6B 60.2(2) . . ?
B5B B1B B3B 111.8(3) . . ?
B6B B1B B3B 111.9(3) . . ?
B5B B1B B2B 112.2(3) . . ?
B6B B1B B2B 63.5(2) . . ?
B3B B1B B2B 60.3(2) . . ?
B5B B1B B4B 58.9(2) . . ?
B6B B1B B4B 105.1(3) . . ?
B3B B1B B4B 60.4(2) . . ?
B2B B1B B4B 106.2(3) . . ?
B5B B1B H1B 119.5 . . ?
B6B B1B H1B 120.7 . . ?
B3B B1B H1B 119.0 . . ?
B2B B1B H1B 120.1 . . ?
B4B B1B H1B 125.0 . . ?
B1B B2B B3B 59.6(2) . . ?
B1B B2B B8B 109.7(3) . . ?
B3B B2B B8B 58.2(2) . . ?
B1B B2B B6B 58.0(2) . . ?
B3B B2B B6B 106.9(3) . . ?
B8B B2B B6B 116.2(3) . . ?
B1B B2B Pt7B 115.7(2) . . ?
B3B B2B Pt7B 115.1(2) . . ?
B8B B2B Pt7B 68.25(17) . . ?
B6B B2B Pt7B 66.42(17) . . ?
B1B B2B H2B 118.6(19) . . ?
B3B B2B H2B 118.7(19) . . ?
B8B B2B H2B 117.5(19) . . ?
B6B B2B H2B 122.0(19) . . ?
Pt7B B2B H2B 116.8(19) . . ?
B8B B3B B1B 113.2(3) . . ?
B8B B3B B2B 61.7(2) . . ?
B1B B3B B2B 60.1(2) . . ?
B8B B3B B9B 62.0(2) . . ?
B1B B3B B9B 109.3(3) . . ?
B2B B3B B9B 107.7(3) . . ?
B8B B3B B4B 110.3(3) . . ?
B1B B3B B4B 60.7(2) . . ?
B2B B3B B4B 106.2(3) . . ?
B9B B3B B4B 58.7(2) . . ?
B8B B3B H3B 117.9 . . ?
B1B B3B H3B 119.5 . . ?
B2B B3B H3B 122.8 . . ?
B9B B3B H3B 121.8 . . ?
B4B B3B H3B 122.6 . . ?
B5B B4B B9B 118.6(3) . . ?
B5B B4B B10B 61.8(3) . . ?
B9B B4B B10B 67.1(3) . . ?
B5B B4B B3B 110.5(3) . . ?
B9B B4B B3B 60.6(2) . . ?
B10B B4B B3B 111.5(3) . . ?
B5B B4B B1B 59.0(2) . . ?
B9B B4B B1B 109.4(3) . . ?
B10B B4B B1B 106.1(3) . . ?
B3B B4B B1B 58.9(2) . . ?
B5B B4B H4B 117.8 . . ?
B9B B4B H4B 115.5 . . ?
B10B B4B H4B 119.4 . . ?
B3B B4B H4B 121.3 . . ?
B1B B4B H4B 125.0 . . ?
C11B B5B B4B 103.4(3) . . ?
C11B B5B B1B 105.2(3) . . ?
B4B B5B B1B 62.1(2) . . ?
C11B B5B B6B 57.0(2) . . ?
B4B B5B B6B 107.7(3) . . ?
B1B B5B B6B 60.5(2) . . ?
C11B B5B B10B 54.3(2) . . ?
B4B B5B B10B 59.6(2) . . ?
B1B B5B B10B 106.9(3) . . ?
B6B B5B B10B 101.1(3) . . ?
C11B B5B H5B 126.3 . . ?
B4B B5B H5B 121.4 . . ?
B1B B5B H5B 120.6 . . ?
B6B B5B H5B 123.9 . . ?
B10B B5B H5B 125.6 . . ?
C11B B6B B5B 58.9(2) . . ?
C11B B6B B1B 105.7(3) . . ?
B5B B6B B1B 59.3(2) . . ?
C11B B6B B2B 108.9(3) . . ?
B5B B6B B2B 107.3(3) . . ?
B1B B6B B2B 58.5(2) . . ?
C11B B6B Pt7B 64.83(18) . . ?
B5B B6B Pt7B 116.0(2) . . ?
B1B B6B Pt7B 114.7(2) . . ?
B2B B6B Pt7B 64.82(17) . . ?
C11B B6B H6B 122.5 . . ?
B5B B6B H6B 121.0 . . ?
B1B B6B H6B 122.4 . . ?
B2B B6B H6B 121.9 . . ?
Pt7B B6B H6B 113.3 . . ?
C11B Pt7B B2B 80.69(15) . . ?
C11B Pt7B P3 171.52(10) . . ?
B2B Pt7B P3 95.38(11) . . ?
C11B Pt7B B6B 43.34(14) . . ?
B2B Pt7B B6B 48.76(14) . . ?
P3 Pt7B B6B 128.93(11) . . ?
C11B Pt7B B8B 91.24(14) . . ?
B2B Pt7B B8B 46.80(14) . . ?
P3 Pt7B B8B 91.49(11) . . ?
B6B Pt7B B8B 85.89(14) . . ?
C11B Pt7B P4 87.01(10) . . ?
B2B Pt7B P4 167.53(11) . . ?
P3 Pt7B P4 96.55(3) . . ?
B6B Pt7B P4 119.68(10) . . ?
B8B Pt7B P4 136.25(10) . . ?
B8B O8B C8B 119.8(3) . . ?
O8B C8B H30A 109.5 . . ?
O8B C8B H30B 109.5 . . ?
H30A C8B H30B 109.5 . . ?
O8B C8B H30C 109.5 . . ?
H30A C8B H30C 109.5 . . ?
H30B C8B H30C 109.5 . . ?
O8B B8B B3B 129.6(3) . . ?
O8B B8B B2B 127.3(3) . . ?
B3B B8B B2B 60.1(2) . . ?
O8B B8B B9B 124.3(3) . . ?
B3B B8B B9B 60.3(2) . . ?
B2B B8B B9B 105.3(3) . . ?
O8B B8B Pt7B 111.7(2) . . ?
B3B B8B Pt7B 114.0(2) . . ?
B2B B8B Pt7B 64.95(17) . . ?
B9B B8B Pt7B 105.6(2) . . ?
O8B B8B H89 113.3(14) . . ?
B3B B8B H89 94.9(14) . . ?
B2B B8B H89 117.0(13) . . ?
B9B B8B H89 37.2(14) . . ?
Pt7B B8B H89 79.4(14) . . ?
B4B B9B B3B 60.7(2) . . ?
B4B B9B B8B 108.3(3) . . ?
B3B B9B B8B 57.6(2) . . ?
B4B B9B B10B 56.5(2) . . ?
B3B B9B B10B 103.6(3) . . ?
B8B B9B B10B 108.4(3) . . ?
B4B B9B H89 125.7(18) . . ?
B3B B9B H89 111.0(19) . . ?
B8B B9B H89 57.1(19) . . ?
B10B B9B H89 77.8(19) . . ?
B4B B9B H9B 114.9(18) . . ?
B3B B9B H9B 122.9(18) . . ?
B8B B9B H9B 127.2(18) . . ?
B10B B9B H9B 120.1(18) . . ?
H89 B9B H9B 113(2) . . ?
C11B B10B B4B 106.3(3) . . ?
C11B B10B B5B 58.9(2) . . ?
B4B B10B B5B 58.6(2) . . ?
C11B B10B B9B 114.4(3) . . ?
B4B B10B B9B 56.4(2) . . ?
B5B B10B B9B 107.0(3) . . ?
C11B B10B H10B 122.8(19) . . ?
B4B B10B H10B 124.9(19) . . ?
B5B B10B H10B 128(2) . . ?
B9B B10B H10B 114.3(19) . . ?
B10B C11B B6B 116.5(3) . . ?
B10B C11B B5B 66.8(3) . . ?
B6B C11B B5B 64.1(2) . . ?
B10B C11B Pt7B 111.2(2) . . ?
B6B C11B Pt7B 71.8(2) . . ?
B5B C11B Pt7B 126.2(3) . . ?
B10B C11B H11B 119(2) . . ?
B6B C11B H11B 117.0(19) . . ?
B5B C11B H11B 116.0(19) . . ?
Pt7B C11B H11B 111(2) . . ?
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
P1 C12 1.806(3) . ?
P1 C11 1.815(4) . ?
P1 C131 1.820(4) . ?
P1 Pt7A 2.2719(10) . ?
P2 C21 1.814(4) . ?
P2 C22 1.824(4) . ?
P2 C231 1.826(3) . ?
P2 Pt7A 2.3508(9) . ?
P3 C32 1.803(3) . ?
P3 C31 1.817(3) . ?
P3 C331 1.824(3) . ?
P3 Pt7B 2.2753(10) . ?
P4 C431 1.810(4) . ?
P4 C41 1.816(4) . ?
P4 C42 1.816(3) . ?
P4 Pt7B 2.3461(9) . ?
C11 H11G 0.9800 . ?
C11 H11I 0.9800 . ?
C11 H11H 0.9800 . ?
C12 H12E 0.9800 . ?
C12 H12F 0.9800 . ?
C12 H12D 0.9800 . ?
C21 H20A 0.9800 . ?
C21 H20B 0.9800 . ?
C21 H20C 0.9800 . ?
C22 H24A 0.9800 . ?
C22 H24B 0.9800 . ?
C22 H24C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H17A 0.9800 . ?
C42 H17B 0.9800 . ?
C42 H17C 0.9800 . ?
C131 C132 1.383(5) . ?
C131 C136 1.388(5) . ?
C132 C133 1.393(5) . ?
C132 H132 0.9500 . ?
C133 C134 1.369(7) . ?
C133 H133 0.9500 . ?
C134 C135 1.381(7) . ?
C134 H134 0.9500 . ?
C135 C136 1.392(5) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
C231 C236 1.389(5) . ?
C231 C232 1.397(5) . ?
C232 C233 1.383(5) . ?
C232 H232 0.9500 . ?
C233 C234 1.381(5) . ?
C233 H233 0.9500 . ?
C234 C235 1.384(5) . ?
C234 H234 0.9500 . ?
C235 C236 1.388(5) . ?
C235 H235 0.9500 . ?
C236 H236 0.9500 . ?
C331 C336 1.378(5) . ?
C331 C332 1.395(5) . ?
C332 C333 1.385(5) . ?
C332 H332 0.9500 . ?
C333 C334 1.382(6) . ?
C333 H333 0.9500 . ?
C334 C335 1.369(5) . ?
C334 H334 0.9500 . ?
C335 C336 1.383(5) . ?
C335 H335 0.9500 . ?
C336 H336 0.9500 . ?
C431 C436 1.389(5) . ?
C431 C432 1.390(5) . ?
C432 C433 1.383(6) . ?
C432 H432 0.9500 . ?
C433 C434 1.376(7) . ?
C433 H433 0.9500 . ?
C434 C435 1.371(7) . ?
C434 H434 0.9500 . ?
C435 C436 1.385(6) . ?
C435 H435 0.9500 . ?
C436 H436 0.9500 . ?
B1A B4A 1.751(7) . ?
B1A B3A 1.760(6) . ?
B1A B6A 1.765(7) . ?
B1A B2A 1.777(6) . ?
B1A B5A 1.815(8) . ?
B1A H1A 1.1200 . ?
B2A B6A 1.785(6) . ?
B2A B11A 1.814(6) . ?
B2A B3A 1.866(6) . ?
B2A Pt7A 2.255(4) . ?
B2A H2A 1.1200 . ?
B3A C8A 1.643(6) . ?
B3A B4A 1.757(7) . ?
B3A Pt7A 2.304(4) . ?
B3A H3A 1.1200 . ?
B4A C8A 1.669(6) . ?
B4A B5A 1.737(8) . ?
B4A B9A 1.806(7) . ?
B4A H4A 1.1200 . ?
B5A B10A 1.757(7) . ?
B5A B9A 1.758(6) . ?
B5A B6A 1.804(7) . ?
B5A H5A 1.1200 . ?
B6A B11A 1.739(6) . ?
B6A B10A 1.785(7) . ?
B6A H6A 1.1200 . ?
Pt7A C8A 2.158(4) . ?
Pt7A B11A 2.313(4) . ?
C8A B9A 1.586(7) . ?
C8A H8A 1.01(4) . ?
B9A B10A 1.955(7) . ?
B9A H9A 1.13(4) . ?
B10A B11A 1.814(7) . ?
B10A H101 1.15(4) . ?
B10A H10A 1.07(4) . ?
O11A B11A 1.374(5) . ?
O11A C11A 1.435(5) . ?
C11A H11F 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11D 0.9800 . ?
B11A H101 1.53(4) . ?
B1B B5B 1.746(6) . ?
B1B B6B 1.768(6) . ?
B1B B3B 1.769(6) . ?
B1B B2B 1.778(6) . ?
B1B B4B 1.802(6) . ?
B1B H1B 1.1200 . ?
B2B B3B 1.781(6) . ?
B2B B8B 1.808(5) . ?
B2B B6B 1.867(6) . ?
B2B Pt7B 2.247(4) . ?
B2B H2B 1.11(4) . ?
B3B B8B 1.745(6) . ?
B3B B9B 1.794(6) . ?
B3B B4B 1.797(6) . ?
B3B H3B 1.1200 . ?
B4B B5B 1.745(6) . ?
B4B B9B 1.760(6) . ?
B4B B10B 1.763(6) . ?
B4B H4B 1.1200 . ?
B5B C11B 1.678(5) . ?
B5B B6B 1.763(6) . ?
B5B B10B 1.800(6) . ?
B5B H5B 1.1200 . ?
B6B C11B 1.644(5) . ?
B6B Pt7B 2.276(4) . ?
B6B H6B 1.1200 . ?
Pt7B C11B 2.168(4) . ?
Pt7B B8B 2.304(4) . ?
O8B B8B 1.388(5) . ?
O8B C8B 1.429(4) . ?
C8B H30A 0.9800 . ?
C8B H30B 0.9800 . ?
C8B H30C 0.9800 . ?
B8B B9B 1.824(6) . ?
B8B H89 1.54(4) . ?
B9B B10B 1.947(6) . ?
B9B H89 1.11(4) . ?
B9B H9B 1.10(3) . ?
B10B C11B 1.592(6) . ?
B10B H10B 1.07(4) . ?
C11B H11B 0.97(3) . ?
