#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:05:14 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185151 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/31/1543187.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_1543187
loop_
_publ_author_name
'Kirlikovali, Kent O.'
'Axtell, Jonathan C.'
'Gonzalez, Alejandra'
'Phung, Alice C.'
'Khan, Saeed I.'
'Spokoyny, Alexander M.'
_publ_section_title
;
 Luminescent metal complexes featuring photophysically innocent boron
 cluster ligands
;
_journal_issue                   8
_journal_name_full               'Chem. Sci.'
_journal_page_first              5132
_journal_paper_doi               10.1039/C6SC01146B
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C64 H130 B40 N4 O Pt2'
_chemical_formula_weight         1794.29
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-01-12 deposited with the CCDC.
2016-04-18 downloaded from the CCDC.
;
_cell_angle_alpha                112.7010(10)
_cell_angle_beta                 97.7490(10)
_cell_angle_gamma                94.5410(10)
_cell_formula_units_Z            1
_cell_length_a                   10.8488(11)
_cell_length_b                   13.1236(14)
_cell_length_c                   16.5110(17)
_cell_measurement_reflns_used    9988
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.60
_cell_measurement_theta_min      2.37
_cell_volume                     2126.6(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0206
_diffrn_reflns_av_unetI/netI     0.0257
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.902
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            25618
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.902
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.764
_diffrn_reflns_theta_min         1.914
_diffrn_source                   'Sealed Mo X-Ray Tube'
_exptl_absorpt_coefficient_mu    3.329
_exptl_absorpt_correction_T_max  0.26
_exptl_absorpt_correction_T_min  0.17
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_description       platelet
_exptl_crystal_F_000             906
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.806
_refine_diff_density_min         -4.053
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         9977
_refine_ls_number_restraints     798
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0002P)²+12.4122P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0899
_refine_ls_wR_factor_ref         0.1023
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8261
_reflns_number_total             9977
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6sc01146b2.cif
_cod_data_source_block           switch-alex1523s_a
_cod_depositor_comments
'Adding full bibliography for 1543183--1543188.cif.'
_cod_database_code               1543187
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.51367(2) 0.24470(2) 0.57384(2) 0.04286(8) Uani 1 1 d . U . . .
N1 N 0.5236(4) 0.1219(4) 0.4420(3) 0.0459(11) Uani 1 1 d . U . . .
N2 N 0.3431(4) 0.2367(5) 0.4990(3) 0.0484(12) Uani 1 1 d . U . . .
B1 B 0.6861(6) 0.2098(6) 0.7307(4) 0.0437(13) Uani 1 1 d . U . . .
H1 H 0.5971 0.1757 0.7446 0.052 Uiso 1 1 calc R U . . .
B2 B 0.8081(5) 0.3017(6) 0.8180(4) 0.0417(13) Uani 1 1 d . U . . .
H2 H 0.7994 0.3289 0.8899 0.050 Uiso 1 1 calc R U . . .
B3 B 0.8842(5) 0.3932(6) 0.7786(4) 0.0416(13) Uani 1 1 d . U . . .
H3 H 0.9266 0.4809 0.8241 0.050 Uiso 1 1 calc R U . . .
B4 B 0.8063(5) 0.3572(6) 0.6664(4) 0.0440(13) Uani 1 1 d . U . . .
H4 H 0.7972 0.4211 0.6374 0.053 Uiso 1 1 calc R U . . .
B5 B 0.7538(7) 0.1311(7) 0.6408(4) 0.0533(16) Uani 1 1 d . U . . .
H5 H 0.7107 0.0440 0.5944 0.064 Uiso 1 1 calc R U . . .
B6 B 0.8266(6) 0.2210(7) 0.6015(4) 0.0526(16) Uani 1 1 d . U . . .
H6 H 0.8316 0.1939 0.5289 0.063 Uiso 1 1 calc R U . . .
B7 B 0.9203(7) 0.1690(7) 0.6708(4) 0.0588(17) Uani 1 1 d . U . . .
B8 B 0.9547(6) 0.2764(6) 0.7818(4) 0.0497(15) Uani 1 1 d . U . . .
B9 B 0.8297(7) 0.1643(7) 0.7517(4) 0.0532(15) Uani 1 1 d . U . . .
H9 H 0.8367 0.0995 0.7800 0.064 Uiso 1 1 calc R U . . .
B10 B 0.9507(6) 0.3111(7) 0.6868(4) 0.0523(15) Uani 1 1 d . U . . .
H10 H 1.0386 0.3444 0.6712 0.063 Uiso 1 1 calc R U . . .
B11 B 0.4919(5) 0.3680(6) 0.7907(4) 0.0383(12) Uani 1 1 d . U . . .
H11 H 0.4759 0.2832 0.7918 0.046 Uiso 1 1 calc R U . . .
C4 C 0.5944(4) 0.4796(5) 0.8700(3) 0.0358(10) Uani 1 1 d . U . . .
H12 H 0.6509 0.4665 0.9262 0.043 Uiso 1 1 calc R U . . .
B13 B 0.6662(5) 0.5653(6) 0.8294(4) 0.0396(12) Uani 1 1 d . U . . .
H13 H 0.7651 0.6093 0.8546 0.048 Uiso 1 1 calc R U . . .
B14 B 0.5961(5) 0.5088(6) 0.7142(4) 0.0416(13) Uani 1 1 d . U . . .
H14 H 0.6489 0.5177 0.6630 0.050 Uiso 1 1 calc R U . . .
B15 B 0.4328(6) 0.5144(7) 0.7040(4) 0.0463(14) Uani 1 1 d . U . . .
B16 B 0.3713(5) 0.4276(6) 0.7532(4) 0.0440(13) Uani 1 1 d . U . . .
H16 H 0.2729 0.3823 0.7281 0.053 Uiso 1 1 calc R U . . .
B17 B 0.4384(5) 0.4834(6) 0.8683(4) 0.0412(13) Uani 1 1 d . U . . .
H17 H 0.3869 0.4744 0.9201 0.049 Uiso 1 1 calc R U . . .
B18 B 0.5448(6) 0.6049(6) 0.8927(4) 0.0433(13) Uani 1 1 d . U . . .
H18 H 0.5634 0.6757 0.9601 0.052 Uiso 1 1 calc R U . . .
B19 B 0.5427(6) 0.6251(7) 0.7921(5) 0.0473(14) Uani 1 1 d . U . . .
H19 H 0.5597 0.7107 0.7927 0.057 Uiso 1 1 calc R U . . .
B20 B 0.3989(6) 0.5757(7) 0.8164(4) 0.0477(14) Uani 1 1 d . U . . .
C1 C 0.6865(5) 0.2475(5) 0.6411(3) 0.0413(12) Uani 1 1 d . U . . .
C2 C 0.7266(4) 0.3480(5) 0.7468(3) 0.0357(10) Uani 1 1 d . U . . .
C3 C 0.6260(4) 0.4234(4) 0.7681(3) 0.0340(10) Uani 1 1 d . U . . .
B12 B 0.4932(5) 0.3807(6) 0.6863(4) 0.0403(13) Uani 1 1 d . U . . .
C5 C 1.0063(15) 0.0695(14) 0.6385(9) 0.070(4) Uani 0.645(16) 1 d . U P A 1
H5A H 1.0437 0.0553 0.6906 0.084 Uiso 0.645(16) 1 calc R U P A 1
H5B H 0.9526 0.0001 0.5953 0.084 Uiso 0.645(16) 1 calc R U P A 1
C6 C 1.1101(12) 0.0994(10) 0.5955(7) 0.073(4) Uani 0.645(16) 1 d . U P A 1
H6A H 1.0737 0.1194 0.5470 0.109 Uiso 0.645(16) 1 calc R U P A 1
H6B H 1.1548 0.0353 0.5715 0.109 Uiso 0.645(16) 1 calc R U P A 1
H6C H 1.1689 0.1629 0.6402 0.109 Uiso 0.645(16) 1 calc R U P A 1
C5A C 1.028(2) 0.106(2) 0.6249(17) 0.055(5) Uani 0.355(16) 1 d . U P A 2
H5A1 H 1.0153 0.0908 0.5607 0.067 Uiso 0.355(16) 1 calc R U P A 2
H5A2 H 1.1121 0.1491 0.6543 0.067 Uiso 0.355(16) 1 calc R U P A 2
C6A C 1.013(2) 0.002(2) 0.6380(16) 0.074(6) Uani 0.355(16) 1 d . U P A 2
H6A1 H 1.0336 0.0184 0.7018 0.111 Uiso 0.355(16) 1 calc R U P A 2
H6A2 H 1.0706 -0.0472 0.6064 0.111 Uiso 0.355(16) 1 calc R U P A 2
H6A3 H 0.9266 -0.0353 0.6145 0.111 Uiso 0.355(16) 1 calc R U P A 2
C7 C 1.0824(6) 0.2895(6) 0.8482(4) 0.0593(18) Uani 1 1 d . U . . .
H7A H 1.1032 0.2139 0.8380 0.071 Uiso 1 1 calc R U . . .
H7B H 1.1505 0.3286 0.8321 0.071 Uiso 1 1 calc R U . . .
C8 C 1.0821(7) 0.3499(8) 0.9447(4) 0.081(3) Uani 1 1 d . U . . .
H8A H 1.0642 0.4259 0.9565 0.121 Uiso 1 1 calc R U . . .
H8B H 1.1646 0.3532 0.9789 0.121 Uiso 1 1 calc R U . . .
H8C H 1.0173 0.3107 0.9625 0.121 Uiso 1 1 calc R U . . .
C9 C 0.2888(6) 0.6492(7) 0.8409(5) 0.0667(19) Uani 1 1 d . U . . .
H9A H 0.3269 0.7287 0.8695 0.080 Uiso 1 1 calc R U . . .
H9B H 0.2338 0.6385 0.7844 0.080 Uiso 1 1 calc R U . . .
C10 C 0.2092(7) 0.6282(7) 0.8993(6) 0.080(2) Uani 1 1 d . U . . .
H10A H 0.1629 0.5524 0.8694 0.119 Uiso 1 1 calc R U . . .
H10B H 0.1495 0.6822 0.9126 0.119 Uiso 1 1 calc R U . . .
H10C H 0.2619 0.6359 0.9550 0.119 Uiso 1 1 calc R U . . .
C11 C 0.3578(6) 0.5374(8) 0.6245(5) 0.075(2) Uani 1 1 d . U . . .
H11A H 0.3601 0.4726 0.5686 0.090 Uiso 0.629(15) 1 calc R U P B 1
H11B H 0.2689 0.5366 0.6324 0.090 Uiso 0.629(15) 1 calc R U P B 1
H11C H 0.2911 0.4729 0.5909 0.090 Uiso 0.371(15) 1 calc R U P B 2
H11D H 0.3152 0.6033 0.6514 0.090 Uiso 0.371(15) 1 calc R U P B 2
C12 C 0.3906(11) 0.6300(12) 0.6107(8) 0.073(4) Uani 0.629(15) 1 d . U P B 1
H12A H 0.3852 0.6963 0.6638 0.109 Uiso 0.629(15) 1 calc R U P B 1
H12B H 0.3334 0.6292 0.5591 0.109 Uiso 0.629(15) 1 calc R U P B 1
H12C H 0.4769 0.6317 0.5993 0.109 Uiso 0.629(15) 1 calc R U P B 1
C12A C 0.4281(14) 0.5572(14) 0.5582(9) 0.041(4) Uani 0.371(15) 1 d . U P B 2
H12D H 0.5099 0.6022 0.5893 0.062 Uiso 0.371(15) 1 calc R U P B 2
H12E H 0.3795 0.5969 0.5285 0.062 Uiso 0.371(15) 1 calc R U P B 2
H12F H 0.4407 0.4855 0.5136 0.062 Uiso 0.371(15) 1 calc R U P B 2
C13 C 0.6099(6) 0.0555(5) 0.4158(4) 0.0561(16) Uani 1 1 d . U . . .
H13A H 0.6659 0.0445 0.4602 0.067 Uiso 1 1 calc R U . . .
C14 C 0.6229(6) 0.0012(5) 0.3273(4) 0.0543(15) Uani 1 1 d . U . . .
H14A H 0.6853 -0.0463 0.3122 0.065 Uiso 1 1 calc R U . . .
C15 C 0.5439(5) 0.0171(5) 0.2609(3) 0.0432(12) Uani 1 1 d . U . . .
C16 C 0.4498(5) 0.0827(4) 0.2881(3) 0.0389(11) Uani 1 1 d . U . . .
H16A H 0.3915 0.0934 0.2447 0.047 Uiso 1 1 calc R U . . .
C17 C 0.4401(5) 0.1322(5) 0.3771(3) 0.0389(11) Uani 1 1 d . U . . .
C18 C 0.3360(5) 0.1930(5) 0.4090(3) 0.0388(11) Uani 1 1 d . U . . .
C19 C 0.2321(5) 0.2009(5) 0.3532(3) 0.0429(12) Uani 1 1 d . U . . .
H19A H 0.2312 0.1733 0.2907 0.051 Uiso 1 1 calc R U . . .
C20 C 0.1306(5) 0.2478(6) 0.3864(4) 0.0535(15) Uani 1 1 d . U . . .
C21 C 0.1361(5) 0.2826(8) 0.4779(4) 0.079(3) Uani 1 1 d . U . . .
H21 H 0.0663 0.3105 0.5039 0.095 Uiso 1 1 calc R U . . .
C22 C 0.2417(5) 0.2768(8) 0.5307(4) 0.077(2) Uani 1 1 d . U . . .
H22 H 0.2432 0.3026 0.5932 0.092 Uiso 1 1 calc R U . . .
C23 C 0.5585(6) -0.0331(5) 0.1629(3) 0.0450(12) Uani 1 1 d . U . . .
C24 C 0.6654(6) -0.1042(5) 0.1485(4) 0.0548(15) Uani 1 1 d . U . . .
H24A H 0.6703 -0.1368 0.0849 0.082 Uiso 1 1 calc R U . . .
H24B H 0.6492 -0.1641 0.1689 0.082 Uiso 1 1 calc R U . . .
H24C H 0.7451 -0.0573 0.1826 0.082 Uiso 1 1 calc R U . . .
C25 C 0.5881(6) 0.0626(5) 0.1347(4) 0.0493(13) Uani 1 1 d . U . . .
H25A H 0.5179 0.1060 0.1400 0.074 Uiso 1 1 calc R U . . .
H25B H 0.6009 0.0324 0.0726 0.074 Uiso 1 1 calc R U . . .
H25C H 0.6647 0.1110 0.1733 0.074 Uiso 1 1 calc R U . . .
C26 C 0.4361(6) -0.1061(5) 0.1040(3) 0.0486(14) Uani 1 1 d . U . . .
H26A H 0.3670 -0.0614 0.1124 0.073 Uiso 1 1 calc R U . . .
H26B H 0.4176 -0.1689 0.1208 0.073 Uiso 1 1 calc R U . . .
H26C H 0.4456 -0.1347 0.0413 0.073 Uiso 1 1 calc R U . . .
C27 C 0.0186(5) 0.2648(6) 0.3290(4) 0.0685(18) Uani 1 1 d D U . . .
C28A C -0.0972(15) 0.1887(18) 0.3118(15) 0.099(7) Uani 0.390(14) 1 d D U P C 2
H28A H -0.1636 0.2054 0.2743 0.149 Uiso 0.390(14) 1 calc R U P C 2
H28B H -0.1232 0.1981 0.3685 0.149 Uiso 0.390(14) 1 calc R U P C 2
H28C H -0.0822 0.1115 0.2811 0.149 Uiso 0.390(14) 1 calc R U P C 2
C29A C 0.0586(13) 0.2720(18) 0.2461(9) 0.067(5) Uani 0.390(14) 1 d D U P C 2
H29A H 0.1382 0.3223 0.2634 0.100 Uiso 0.390(14) 1 calc R U P C 2
H29B H -0.0062 0.3007 0.2169 0.100 Uiso 0.390(14) 1 calc R U P C 2
H29C H 0.0696 0.1975 0.2048 0.100 Uiso 0.390(14) 1 calc R U P C 2
C30A C 0.0007(19) 0.3864(12) 0.3859(12) 0.088(5) Uani 0.390(14) 1 d D U P C 2
H30A H 0.0785 0.4366 0.3963 0.132 Uiso 0.390(14) 1 calc R U P C 2
H30B H -0.0194 0.3912 0.4432 0.132 Uiso 0.390(14) 1 calc R U P C 2
H30C H -0.0681 0.4082 0.3540 0.132 Uiso 0.390(14) 1 calc R U P C 2
C28 C -0.1042(8) 0.2401(11) 0.3596(7) 0.061(3) Uani 0.610(14) 1 d D U P C 1
H28D H -0.1116 0.1646 0.3583 0.092 Uiso 0.610(14) 1 calc R U P C 1
H28E H -0.1760 0.2458 0.3195 0.092 Uiso 0.610(14) 1 calc R U P C 1
H28F H -0.1030 0.2943 0.4206 0.092 Uiso 0.610(14) 1 calc R U P C 1
C29 C -0.0005(11) 0.1790(14) 0.2316(6) 0.103(5) Uani 0.610(14) 1 d D U P C 1
H29D H -0.0063 0.1035 0.2303 0.155 Uiso 0.610(14) 1 calc R U P C 1
H29E H 0.0710 0.1922 0.2046 0.155 Uiso 0.610(14) 1 calc R U P C 1
H29F H -0.0781 0.1868 0.1979 0.155 Uiso 0.610(14) 1 calc R U P C 1
C30 C 0.0273(14) 0.3808(10) 0.3327(11) 0.107(5) Uani 0.610(14) 1 d D U P C 1
H30D H -0.0469 0.3871 0.2948 0.160 Uiso 0.610(14) 1 calc R U P C 1
H30E H 0.1032 0.3975 0.3113 0.160 Uiso 0.610(14) 1 calc R U P C 1
H30F H 0.0312 0.4339 0.3943 0.160 Uiso 0.610(14) 1 calc R U P C 1
O1 O 0.0000 0.0000 0.0000 0.273(10) Uiso 1 2 d S . P . .
C31 C 0.1312(14) -0.0020(13) 0.0262(11) 0.088(5) Uiso 0.593(15) 1 d . . P D 1
H31A H 0.1402 -0.0304 0.0739 0.106 Uiso 0.593(15) 1 calc R U P D 1
H31B H 0.1611 -0.0559 -0.0255 0.106 Uiso 0.593(15) 1 calc R U P D 1
C32 C 0.2112(11) 0.1021(10) 0.0574(8) 0.124(4) Uiso 1 1 d . . . . .
H32A H 0.2155 0.1417 0.1219 0.186 Uiso 0.593(15) 1 calc R U P D 1
H32B H 0.1773 0.1475 0.0269 0.186 Uiso 0.593(15) 1 calc R U P D 1
H32C H 0.2956 0.0888 0.0450 0.186 Uiso 0.593(15) 1 calc R U P D 1
H32D H 0.2602 0.1761 0.0766 0.186 Uiso 0.407(15) 1 calc R U P D 2
H32E H 0.2541 0.0456 0.0176 0.186 Uiso 0.407(15) 1 calc R U P D 2
H32F H 0.2029 0.0859 0.1098 0.186 Uiso 0.407(15) 1 calc R U P D 2
C31A C 0.0809(18) 0.1001(16) 0.0082(13) 0.072(6) Uiso 0.407(15) 1 d . . P D 2
H31C H 0.0454 0.1680 0.0417 0.087 Uiso 0.407(15) 1 calc R U P D 2
H31D H 0.0865 0.0981 -0.0518 0.087 Uiso 0.407(15) 1 calc R U P D 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'
O O 0.0106 0.0060 '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
C1 Pt1 N2 176.6(2) .
C1 Pt1 B12 87.0(2) .
N2 Pt1 B12 96.2(2) .
C1 Pt1 N1 100.17(19) .
N2 Pt1 N1 76.48(18) .
B12 Pt1 N1 168.8(2) .
C13 N1 C17 117.3(5) .
C13 N1 Pt1 129.8(3) .
C17 N1 Pt1 111.8(4) .
C22 N2 C18 117.5(5) .
C22 N2 Pt1 126.1(4) .
C18 N2 Pt1 116.3(4) .
C1 B1 C2 58.8(3) .
C1 B1 B5 60.2(4) .
C2 B1 B5 105.4(5) .
C1 B1 B9 108.4(5) .
C2 B1 B9 104.6(5) .
B5 B1 B9 60.9(4) .
C1 B1 B2 107.1(5) .
C2 B1 B2 57.7(3) .
B5 B1 B2 108.5(5) .
B9 B1 B2 59.9(4) .
C1 B1 H1 121.7 .
C2 B1 H1 124.9 .
B5 B1 H1 121.5 .
B9 B1 H1 122.0 .
B2 B1 H1 122.1 .
C2 B2 B9 105.6(4) .
C2 B2 B3 58.8(3) .
B9 B2 B3 108.0(5) .
C2 B2 B1 59.8(3) .
B9 B2 B1 59.2(4) .
B3 B2 B1 108.2(4) .
C2 B2 B8 105.9(4) .
B9 B2 B8 60.4(4) .
B3 B2 B8 60.1(4) .
B1 B2 B8 108.1(4) .
C2 B2 H2 123.7 .
B9 B2 H2 122.4 .
B3 B2 H2 121.5 .
B1 B2 H2 121.5 .
B8 B2 H2 121.9 .
C2 B3 B2 58.5(3) .
C2 B3 B10 104.8(4) .
B2 B3 B10 107.7(5) .
C2 B3 B8 105.8(5) .
B2 B3 B8 60.3(4) .
B10 B3 B8 60.5(4) .
C2 B3 B4 58.7(3) .
B2 B3 B4 106.9(4) .
B10 B3 B4 59.2(3) .
B8 B3 B4 107.9(4) .
C2 B3 H3 124.3 .
B2 B3 H3 122.0 .
B10 B3 H3 122.5 .
B8 B3 H3 121.6 .
B4 B3 H3 122.2 .
C2 B4 C1 59.0(3) .
C2 B4 B6 105.9(5) .
C1 B4 B6 60.0(4) .
C2 B4 B10 104.9(5) .
C1 B4 B10 108.1(5) .
B6 B4 B10 60.8(4) .
C2 B4 B3 58.2(3) .
C1 B4 B3 107.3(5) .
B6 B4 B3 108.6(5) .
B10 B4 B3 59.9(3) .
C2 B4 H4 124.4 .
C1 B4 H4 121.7 .
B6 B4 H4 121.5 .
B10 B4 H4 122.1 .
B3 B4 H4 121.9 .
B6 B5 C1 60.1(4) .
B6 B5 B1 108.5(5) .
C1 B5 B1 59.6(4) .
B6 B5 B9 108.5(5) .
C1 B5 B9 107.0(5) .
B1 B5 B9 59.7(4) .
B6 B5 B7 61.1(4) .
C1 B5 B7 108.6(6) .
B1 B5 B7 108.6(4) .
B9 B5 B7 60.0(4) .
B6 B5 H5 121.0 .
C1 B5 H5 122.2 .
B1 B5 H5 121.7 .
B9 B5 H5 122.2 .
B7 B5 H5 120.9 .
B5 B6 C1 60.1(4) .
B5 B6 B4 108.7(5) .
C1 B6 B4 59.9(4) .
B5 B6 B10 108.2(5) .
C1 B6 B10 107.4(4) .
B4 B6 B10 60.0(4) .
B5 B6 B7 60.7(4) .
C1 B6 B7 108.2(5) .
B4 B6 B7 108.5(4) .
B10 B6 B7 59.7(4) .
B5 B6 H6 121.1 .
C1 B6 H6 122.0 .
B4 B6 H6 121.4 .
B10 B6 H6 122.1 .
B7 B6 H6 121.4 .
C5A B7 B10 108.5(11) .
C5 B7 B10 130.1(9) .
C5A B7 B9 136.9(11) .
C5 B7 B9 115.0(8) .
B10 B7 B9 106.9(5) .
C5A B7 B5 129.4(11) .
C5 B7 B5 117.5(8) .
B10 B7 B5 106.2(5) .
B9 B7 B5 59.7(4) .
C5A B7 B6 112.9(10) .
C5 B7 B6 126.9(7) .
B10 B7 B6 59.6(4) .
B9 B7 B6 105.9(5) .
B5 B7 B6 58.2(4) .
C5A B7 B8 121.2(10) .
C5 B7 B8 121.5(7) .
B10 B7 B8 60.1(4) .
B9 B7 B8 60.0(4) .
B5 B7 B8 107.7(5) .
B6 B7 B8 107.6(5) .
C7 B8 B3 122.6(5) .
C7 B8 B2 123.1(5) .
B3 B8 B2 59.6(4) .
C7 B8 B9 122.7(6) .
B3 B8 B9 106.7(4) .
B2 B8 B9 59.3(4) .
C7 B8 B10 122.6(6) .
B3 B8 B10 59.5(4) .
B2 B8 B10 106.4(4) .
B9 B8 B10 106.0(4) .
C7 B8 B7 121.3(5) .
B3 B8 B7 107.4(5) .
B2 B8 B7 107.1(5) .
B9 B8 B7 59.5(4) .
B10 B8 B7 59.4(4) .
B1 B9 B2 60.9(4) .
B1 B9 B5 59.3(4) .
B2 B9 B5 108.0(5) .
B1 B9 B7 108.5(5) .
B2 B9 B7 108.7(6) .
B5 B9 B7 60.3(4) .
B1 B9 B8 109.4(5) .
B2 B9 B8 60.3(4) .
B5 B9 B8 108.6(6) .
B7 B9 B8 60.5(4) .
B1 B9 H9 121.2 .
B2 B9 H9 121.3 .
B5 B9 H9 122.0 .
B7 B9 H9 121.3 .
B8 B9 H9 120.9 .
B4 B10 B3 60.9(3) .
B4 B10 B6 59.1(4) .
B3 B10 B6 108.1(4) .
B4 B10 B7 108.5(5) .
B3 B10 B7 108.7(5) .
B6 B10 B7 60.6(4) .
B4 B10 B8 108.9(5) .
B3 B10 B8 60.0(4) .
B6 B10 B8 108.6(6) .
B7 B10 B8 60.5(4) .
B4 B10 H10 121.4 .
B3 B10 H10 121.3 .
B6 B10 H10 121.8 .
B7 B10 H10 121.1 .
B8 B10 H10 121.2 .
C4 B11 C3 57.3(3) .
C4 B11 B16 104.7(5) .
C3 B11 B16 105.1(4) .
C4 B11 B17 58.1(3) .
C3 B11 B17 104.9(4) .
B16 B11 B17 60.8(4) .
C4 B11 B12 106.3(4) .
C3 B11 B12 58.7(3) .
B16 B11 B12 62.3(3) .
B17 B11 B12 111.7(5) .
C4 B11 H11 124.8 .
C3 B11 H11 125.0 .
B16 B11 H11 122.3 .
B17 B11 H11 121.1 .
B12 B11 H11 119.7 .
C3 C4 B18 112.6(4) .
C3 C4 B17 111.6(4) .
B18 C4 B17 63.0(4) .
C3 C4 B13 61.9(3) .
B18 C4 B13 63.2(4) .
B17 C4 B13 115.0(4) .
C3 C4 B11 61.4(3) .
B18 C4 B11 114.7(4) .
B17 C4 B11 62.2(3) .
B13 C4 B11 114.6(4) .
C3 C4 H12 120.3 .
B18 C4 H12 117.7 .
B17 C4 H12 118.4 .
B13 C4 H12 117.2 .
B11 C4 H12 117.9 .
C4 B13 C3 57.6(3) .
C4 B13 B19 104.2(4) .
C3 B13 B19 104.9(4) .
C4 B13 B18 58.0(3) .
C3 B13 B18 105.0(4) .
B19 B13 B18 60.3(4) .
C4 B13 B14 103.8(4) .
C3 B13 B14 58.1(3) .
B19 B13 B14 60.0(4) .
B18 B13 B14 107.8(4) .
C4 B13 H13 125.1 .
C3 B13 H13 124.3 .
B19 B13 H13 122.9 .
B18 B13 H13 122.1 .
B14 B13 H13 122.6 .
C3 B14 B15 106.3(4) .
C3 B14 B19 105.3(4) .
B15 B14 B19 61.5(4) .
C3 B14 B13 59.3(3) .
B15 B14 B13 109.4(4) .
B19 B14 B13 59.4(4) .
C3 B14 B12 58.9(3) .
B15 B14 B12 62.5(4) .
B19 B14 B12 111.9(4) .
B13 B14 B12 110.2(4) .
C3 B14 H14 124.7 .
B15 B14 H14 120.6 .
B19 B14 H14 121.3 .
B13 B14 H14 121.1 .
B12 B14 H14 119.0 .
C11 B15 B14 121.3(5) .
C11 B15 B16 125.1(5) .
B14 B15 B16 106.4(4) .
C11 B15 B19 120.0(6) .
B14 B15 B19 59.4(4) .
B16 B15 B19 106.3(4) .
C11 B15 B20 121.3(5) .
B14 B15 B20 107.2(4) .
B16 B15 B20 59.9(4) .
B19 B15 B20 59.3(4) .
C11 B15 B12 122.4(6) .
B14 B15 B12 59.7(4) .
B16 B15 B12 60.6(4) .
B19 B15 B12 108.0(4) .
B20 B15 B12 109.4(4) .
B11 B16 B17 60.3(3) .
B11 B16 B15 109.4(4) .
B17 B16 B15 109.0(5) .
B11 B16 B20 109.2(4) .
B17 B16 B20 59.9(4) .
B15 B16 B20 61.3(4) .
B11 B16 B12 60.4(3) .
B17 B16 B12 109.7(4) .
B15 B16 B12 61.8(4) .
B20 B16 B12 111.5(5) .
B11 B16 H16 121.4 .
B17 B16 H16 121.5 .
B15 B16 H16 120.5 .
B20 B16 H16 120.3 .
B12 B16 H16 119.6 .
C4 B17 B11 59.7(3) .
C4 B17 B18 58.4(3) .
B11 B17 B18 108.8(4) .
C4 B17 B16 104.4(4) .
B11 B17 B16 58.9(3) .
B18 B17 B16 108.6(4) .
C4 B17 B20 105.5(4) .
B11 B17 B20 108.6(4) .
B18 B17 B20 60.9(4) .
B16 B17 B20 60.6(4) .
C4 B17 H17 124.6 .
B11 B17 H17 121.2 .
B18 B17 H17 121.0 .
B16 B17 H17 122.7 .
B20 B17 H17 121.5 .
C4 B18 B17 58.6(4) .
C4 B18 B13 58.8(3) .
B17 B18 B13 107.9(5) .
C4 B18 B19 104.2(4) .
B17 B18 B19 107.5(5) .
B13 B18 B19 59.5(4) .
C4 B18 B20 104.9(5) .
B17 B18 B20 59.9(4) .
B13 B18 B20 108.2(4) .
B19 B18 B20 60.3(4) .
C4 B18 H18 124.8 .
B17 B18 H18 121.7 .
B13 B18 H18 121.5 .
B19 B18 H18 122.8 .
B20 B18 H18 122.0 .
B13 B19 B14 60.6(4) .
B13 B19 B18 60.3(3) .
B14 B19 B18 108.2(5) .
B13 B19 B20 109.0(5) .
B14 B19 B20 107.8(5) .
B18 B19 B20 60.4(4) .
B13 B19 B15 108.4(5) .
B14 B19 B15 59.1(4) .
B18 B19 B15 108.6(5) .
B20 B19 B15 60.6(4) .
B13 B19 H19 121.0 .
B14 B19 H19 122.1 .
B18 B19 H19 121.4 .
B20 B19 H19 121.2 .
B15 B19 H19 121.7 .
C9 B20 B17 121.9(5) .
C9 B20 B16 123.1(6) .
B17 B20 B16 59.5(4) .
C9 B20 B19 123.1(6) .
B17 B20 B19 106.2(4) .
B16 B20 B19 106.1(5) .
C9 B20 B18 121.8(6) .
B17 B20 B18 59.2(4) .
B16 B20 B18 106.4(5) .
B19 B20 B18 59.3(4) .
C9 B20 B15 122.9(5) .
B17 B20 B15 106.8(5) .
B16 B20 B15 58.9(4) .
B19 B20 B15 60.1(4) .
B18 B20 B15 107.4(4) .
C2 C1 B1 60.8(3) .
C2 C1 B4 59.7(3) .
B1 C1 B4 110.4(4) .
C2 C1 B6 106.4(4) .
B1 C1 B6 108.9(4) .
B4 C1 B6 60.1(4) .
C2 C1 B5 107.1(4) .
B1 C1 B5 60.3(4) .
B4 C1 B5 108.6(4) .
B6 C1 B5 59.8(4) .
C2 C1 Pt1 115.8(3) .
B1 C1 Pt1 115.3(4) .
B4 C1 Pt1 120.7(4) .
B6 C1 Pt1 129.4(3) .
B5 C1 Pt1 125.9(4) .
C3 C2 B2 125.8(4) .
C3 C2 C1 110.8(4) .
B2 C2 C1 112.3(4) .
C3 C2 B3 124.4(4) .
B2 C2 B3 62.7(4) .
C1 C2 B3 113.2(4) .
C3 C2 B4 114.9(4) .
B2 C2 B4 113.9(4) .
C1 C2 B4 61.2(3) .
B3 C2 B4 63.1(3) .
C3 C2 B1 117.1(4) .
B2 C2 B1 62.4(3) .
C1 C2 B1 60.4(3) .
B3 C2 B1 113.5(4) .
B4 C2 B1 111.3(4) .
C2 C3 C4 121.5(4) .
C2 C3 B14 121.4(4) .
C4 C3 B14 109.7(4) .
C2 C3 B11 115.6(5) .
C4 C3 B11 61.3(3) .
B14 C3 B11 112.7(4) .
C2 C3 B12 114.1(4) .
C4 C3 B12 112.9(4) .
B14 C3 B12 63.4(4) .
B11 C3 B12 62.8(3) .
C2 C3 B13 120.8(4) .
C4 C3 B13 60.5(3) .
B14 C3 B13 62.6(4) .
B11 C3 B13 113.3(4) .
B12 C3 B13 116.7(4) .
C3 B12 B11 58.6(3) .
C3 B12 B14 57.7(3) .
B11 B12 B14 104.9(4) .
C3 B12 B16 101.2(4) .
B11 B12 B16 57.3(3) .
B14 B12 B16 102.6(5) .
C3 B12 B15 101.8(4) .
B11 B12 B15 103.6(4) .
B14 B12 B15 57.8(4) .
B16 B12 B15 57.6(4) .
C3 B12 Pt1 112.0(4) .
B11 B12 Pt1 120.5(4) .
B14 B12 Pt1 117.0(4) .
B16 B12 Pt1 137.6(4) .
B15 B12 Pt1 133.8(4) .
C6 C5 B7 111.4(12) .
C6 C5 H5A 109.4 .
B7 C5 H5A 109.4 .
C6 C5 H5B 109.4 .
B7 C5 H5B 109.4 .
H5A C5 H5B 108.0 .
C5 C6 H6A 109.5 .
C5 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
C5 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C6A C5A B7 103.0(19) .
C6A C5A H5A1 111.2 .
B7 C5A H5A1 111.2 .
C6A C5A H5A2 111.2 .
B7 C5A H5A2 111.2 .
H5A1 C5A H5A2 109.1 .
C5A C6A H6A1 109.5 .
C5A C6A H6A2 109.5 .
H6A1 C6A H6A2 109.5 .
C5A C6A H6A3 109.5 .
H6A1 C6A H6A3 109.5 .
H6A2 C6A H6A3 109.5 .
C8 C7 B8 116.4(5) .
C8 C7 H7A 108.2 .
B8 C7 H7A 108.2 .
C8 C7 H7B 108.2 .
B8 C7 H7B 108.2 .
H7A C7 H7B 107.3 .
C7 C8 H8A 109.5 .
C7 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C7 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C10 C9 B20 117.7(6) .
C10 C9 H9A 107.9 .
B20 C9 H9A 107.9 .
C10 C9 H9B 107.9 .
B20 C9 H9B 107.9 .
H9A C9 H9B 107.2 .
C9 C10 H10A 109.5 .
C9 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C9 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
C12 C11 B15 121.6(8) .
C12A C11 B15 119.2(7) .
C12 C11 H11A 106.9 .
B15 C11 H11A 106.9 .
C12 C11 H11B 106.9 .
B15 C11 H11B 106.9 .
H11A C11 H11B 106.7 .
C12A C11 H11C 107.5 .
B15 C11 H11C 107.5 .
C12A C11 H11D 107.5 .
B15 C11 H11D 107.5 .
H11C C11 H11D 107.0 .
C11 C12 H12A 109.5 .
C11 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C11 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C11 C12A H12D 109.5 .
C11 C12A H12E 109.5 .
H12D C12A H12E 109.5 .
C11 C12A H12F 109.5 .
H12D C12A H12F 109.5 .
H12E C12A H12F 109.5 .
N1 C13 C14 123.8(5) .
N1 C13 H13A 118.1 .
C14 C13 H13A 118.1 .
C13 C14 C15 119.5(6) .
C13 C14 H14A 120.3 .
C15 C14 H14A 120.3 .
C14 C15 C16 116.6(5) .
C14 C15 C23 122.4(5) .
C16 C15 C23 121.0(5) .
C17 C16 C15 121.0(5) .
C17 C16 H16A 119.5 .
C15 C16 H16A 119.5 .
N1 C17 C16 121.6(5) .
N1 C17 C18 114.7(5) .
C16 C17 C18 123.6(5) .
N2 C18 C19 120.7(5) .
N2 C18 C17 115.1(4) .
C19 C18 C17 124.1(5) .
C20 C19 C18 121.6(5) .
C20 C19 H19A 119.2 .
C18 C19 H19A 119.2 .
C19 C20 C21 116.1(5) .
C19 C20 C27 123.5(5) .
C21 C20 C27 120.3(6) .
C22 C21 C20 120.3(6) .
C22 C21 H21 119.8 .
C20 C21 H21 119.8 .
N2 C22 C21 123.4(5) .
N2 C22 H22 118.3 .
C21 C22 H22 118.3 .
C25 C23 C15 108.1(4) .
C25 C23 C24 108.7(5) .
C15 C23 C24 111.8(5) .
C25 C23 C26 109.1(5) .
C15 C23 C26 110.5(5) .
C24 C23 C26 108.7(5) .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
C23 C25 H25A 109.5 .
C23 C25 H25B 109.5 .
H25A C25 H25B 109.5 .
C23 C25 H25C 109.5 .
H25A C25 H25C 109.5 .
H25B C25 H25C 109.5 .
C23 C26 H26A 109.5 .
C23 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C23 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C28A C27 C29A 114.9(8) .
C28A C27 C20 115.2(10) .
C30 C27 C20 112.9(7) .
C29A C27 C20 109.5(7) .
C30 C27 C29 110.5(8) .
C20 C27 C29 111.4(7) .
C30 C27 C28 108.0(8) .
C20 C27 C28 110.1(6) .
C29 C27 C28 103.5(6) .
C28A C27 C30A 110.2(9) .
C29A C27 C30A 103.6(8) .
C20 C27 C30A 101.9(9) .
C27 C28A H28A 109.5 .
C27 C28A H28B 109.5 .
H28A C28A H28B 109.5 .
C27 C28A H28C 109.5 .
H28A C28A H28C 109.5 .
H28B C28A H28C 109.5 .
C27 C29A H29A 109.5 .
C27 C29A H29B 109.5 .
H29A C29A H29B 109.5 .
C27 C29A H29C 109.5 .
H29A C29A H29C 109.5 .
H29B C29A H29C 109.5 .
C27 C30A H30A 109.5 .
C27 C30A H30B 109.5 .
H30A C30A H30B 109.5 .
C27 C30A H30C 109.5 .
H30A C30A H30C 109.5 .
H30B C30A H30C 109.5 .
C27 C28 H28D 109.5 .
C27 C28 H28E 109.5 .
H28D C28 H28E 109.5 .
C27 C28 H28F 109.5 .
H28D C28 H28F 109.5 .
H28E C28 H28F 109.5 .
C27 C29 H29D 109.5 .
C27 C29 H29E 109.5 .
H29D C29 H29E 109.5 .
C27 C29 H29F 109.5 .
H29D C29 H29F 109.5 .
H29E C29 H29F 109.5 .
C27 C30 H30D 109.5 .
C27 C30 H30E 109.5 .
H30D C30 H30E 109.5 .
C27 C30 H30F 109.5 .
H30D C30 H30F 109.5 .
H30E C30 H30F 109.5 .
C31 O1 C31 180.0(4) 2
C31A O1 C31A 180.0 2
C32 C31 O1 116.0(12) .
C32 C31 H31A 108.3 .
O1 C31 H31A 108.3 .
C32 C31 H31B 108.3 .
O1 C31 H31B 108.3 .
H31A C31 H31B 107.4 .
C31 C32 H32A 109.5 .
C31 C32 H32B 109.5 .
H32A C32 H32B 109.5 .
C31 C32 H32C 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
C31A C32 H32D 109.5 .
C31A C32 H32E 109.5 .
H32D C32 H32E 109.5 .
C31A C32 H32F 109.5 .
H32D C32 H32F 109.5 .
H32E C32 H32F 109.5 .
O1 C31A C32 108.2(13) .
O1 C31A H31C 110.1 .
C32 C31A H31C 110.1 .
O1 C31A H31D 110.1 .
C32 C31A H31D 110.1 .
H31C C31A H31D 108.4 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C1 2.037(5) .
Pt1 N2 2.053(4) .
Pt1 B12 2.073(6) .
Pt1 N1 2.175(5) .
N1 C13 1.332(8) .
N1 C17 1.362(6) .
N2 C22 1.340(8) .
N2 C18 1.358(6) .
B1 C1 1.732(8) .
B1 C2 1.738(9) .
B1 B5 1.744(9) .
B1 B9 1.751(9) .
B1 B2 1.782(8) .
B1 H1 1.1200 .
B2 C2 1.700(8) .
B2 B9 1.766(10) .
B2 B3 1.772(10) .
B2 B8 1.784(9) .
B2 H2 1.1200 .
B3 C2 1.705(7) .
B3 B10 1.772(8) .
B3 B8 1.781(10) .
B3 B4 1.791(8) .
B3 H3 1.1200 .
B4 C2 1.715(8) .
B4 C1 1.741(9) .
B4 B6 1.744(10) .
B4 B10 1.760(9) .
B4 H4 1.1200 .
B5 B6 1.738(12) .
B5 C1 1.743(9) .
B5 B9 1.773(9) .
B5 B7 1.784(10) .
B5 H5 1.1200 .
B6 C1 1.742(9) .
B6 B10 1.774(9) .
B6 B7 1.791(10) .
B6 H6 1.1200 .
B7 C5A 1.59(3) .
B7 C5 1.628(17) .
B7 B10 1.776(12) .
B7 B9 1.778(11) .
B7 B8 1.795(9) .
B8 C7 1.600(8) .
B8 B9 1.785(11) .
B8 B10 1.789(10) .
B9 H9 1.1200 .
B10 H10 1.1200 .
B11 C4 1.722(8) .
B11 C3 1.724(7) .
B11 B16 1.739(9) .
B11 B17 1.765(9) .
B11 B12 1.797(8) .
B11 H11 1.1200 .
C4 C3 1.652(6) .
C4 B18 1.689(9) .
C4 B17 1.693(7) .
C4 B13 1.704(8) .
C4 H12 1.1200 .
B13 C3 1.727(8) .
B13 B19 1.762(9) .
B13 B18 1.777(9) .
B13 B14 1.783(8) .
B13 H13 1.1200 .
B14 C3 1.704(8) .
B14 B15 1.767(8) .
B14 B19 1.773(10) .
B14 B12 1.802(9) .
B14 H14 1.1200 .
B15 C11 1.591(8) .
B15 B16 1.774(9) .
B15 B19 1.809(10) .
B15 B20 1.818(9) .
B15 B12 1.853(10) .
B16 B17 1.773(8) .
B16 B20 1.793(11) .
B16 B12 1.830(8) .
B16 H16 1.1200 .
B17 B18 1.767(10) .
B17 B20 1.780(9) .
B17 H17 1.1200 .
B18 B19 1.777(9) .
B18 B20 1.798(9) .
B18 H18 1.1200 .
B19 B20 1.795(9) .
B19 H19 1.1200 .
B20 C9 1.592(9) .
C1 C2 1.703(7) .
C2 C3 1.516(7) .
C3 B12 1.726(7) .
C5 C6 1.51(2) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C5A C6A 1.46(4) .
C5A H5A1 0.9900 .
C5A H5A2 0.9900 .
C6A H6A1 0.9800 .
C6A H6A2 0.9800 .
C6A H6A3 0.9800 .
C7 C8 1.480(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.465(9) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.350(14) .
C11 C12A 1.505(14) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C11 H11C 0.9900 .
C11 H11D 0.9900 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C12A H12D 0.9800 .
C12A H12E 0.9800 .
C12A H12F 0.9800 .
C13 C14 1.389(8) .
C13 H13A 0.9500 .
C14 C15 1.389(7) .
C14 H14A 0.9500 .
C15 C16 1.395(8) .
C15 C23 1.530(7) .
C16 C17 1.381(7) .
C16 H16A 0.9500 .
C17 C18 1.472(8) .
C18 C19 1.395(7) .
C19 C20 1.379(8) .
C19 H19A 0.9500 .
C20 C21 1.390(8) .
C20 C27 1.524(8) .
C21 C22 1.369(8) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C23 C25 1.525(8) .
C23 C24 1.532(8) .
C23 C26 1.535(7) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28A 1.464(10) .
C27 C30 1.495(10) .
C27 C29A 1.523(10) .
C27 C29 1.540(9) .
C27 C28 1.541(9) .
C27 C30A 1.551(11) .
C28A H28A 0.9800 .
C28A H28B 0.9800 .
C28A H28C 0.9800 .
C29A H29A 0.9800 .
C29A H29B 0.9800 .
C29A H29C 0.9800 .
C30A H30A 0.9800 .
C30A H30B 0.9800 .
C30A H30C 0.9800 .
C28 H28D 0.9800 .
C28 H28E 0.9800 .
C28 H28F 0.9800 .
C29 H29D 0.9800 .
C29 H29E 0.9800 .
C29 H29F 0.9800 .
C30 H30D 0.9800 .
C30 H30E 0.9800 .
C30 H30F 0.9800 .
O1 C31 1.436(15) 2
O1 C31 1.436(15) .
O1 C31A 1.471(19) 2
O1 C31A 1.471(19) .
C31 C32 1.426(17) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C31A 1.53(2) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C32 H32D 0.9800 .
C32 H32E 0.9800 .
C32 H32F 0.9800 .
C31A H31C 0.9900 .
C31A H31D 0.9900 .
