#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:05:41 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178594 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/05/4070508.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_4070508
loop_
_publ_author_name
'Carr, Michael J.'
'McGrath, Thomas D.'
'Stone, F. Gordon A.'
_publ_section_title
;
 Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2099
_journal_paper_doi               10.1021/om7012056
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         '2(C8 H20 N), C3 H12 B8 N2 Pt'
_chemical_formula_sum            'C19 H52 B8 N4 Pt'
_chemical_formula_weight         618.22
_chemical_name_systematic
;
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 109.609(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.728(8)
_cell_length_b                   11.472(3)
_cell_length_c                   17.010(5)
_cell_measurement_reflns_used    8789
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      29.86
_cell_measurement_theta_min      2.41
_cell_volume                     5832(3)
_computing_cell_refinement
;
  Bruker APEX2 (Bruker, 2003)
;
_computing_data_collection
;
  Bruker APEX2 (Bruker, 2003)
;
_computing_data_reduction
;
  Bruker APEX2 (Bruker, 2003)
;
_computing_molecular_graphics
;
  ORTEP3 for Windows (Farrugia, 1997)
  XSeed (Barbour, 2001)
;
_computing_publication_material
;
  enCIFer (CCDC, 2002)
;
_computing_structure_refinement
;
  SHELXL-97 (Sheldrick, 1986)
;
_computing_structure_solution
;
  SHELXS-97 (Sheldrick, 1986)
;
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker-Nonius X8 APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36026
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    4.826
_exptl_absorpt_correction_T_max  0.5727
_exptl_absorpt_correction_T_min  0.3668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.483
_refine_diff_density_min         -1.519
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         7221
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0220P)²+20.5524P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                6147
_reflns_number_total             7221
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cif.cif
_cod_data_source_block           8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        5833(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4070508
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Pt9 Pt 0.140672(5) 0.088803(11) 0.238553(9) 0.02038(5) Uani 1 1 d . . .
C91 C 0.12926(12) -0.0749(3) 0.2702(2) 0.0225(7) Uani 1 1 d . . .
C93 C 0.19530(14) 0.1003(3) 0.3406(3) 0.0294(8) Uani 1 1 d . . .
B8 B 0.07518(14) 0.0935(4) 0.1372(3) 0.0234(8) Uani 1 1 d . . .
N20 N 0.14467(10) -0.2436(2) 0.06141(18) 0.0231(6) Uani 1 1 d . . .
C22 C 0.18389(17) -0.4029(4) 0.1683(3) 0.0406(11) Uani 1 1 d . . .
H22A H 0.2088 -0.3547 0.2025 0.061 Uiso 1 1 calc R . .
H22B H 0.1936 -0.4843 0.1709 0.061 Uiso 1 1 calc R . .
H22C H 0.1588 -0.3967 0.1896 0.061 Uiso 1 1 calc R . .
N94 N 0.22514(12) 0.1078(3) 0.4024(2) 0.0375(8) Uani 1 1 d . . .
C27 C 0.10039(13) -0.2521(3) 0.0775(2) 0.0295(8) Uani 1 1 d . . .
H27A H 0.1066 -0.2739 0.1366 0.035 Uiso 1 1 calc R . .
H27B H 0.0862 -0.1741 0.0690 0.035 Uiso 1 1 calc R . .
C21 C 0.16881(14) -0.3602(3) 0.0769(3) 0.0285(8) Uani 1 1 d . . .
H21A H 0.1955 -0.3541 0.0593 0.034 Uiso 1 1 calc R . .
H21B H 0.1488 -0.4197 0.0411 0.034 Uiso 1 1 calc R . .
N92 N 0.12425(11) -0.1690(3) 0.2874(2) 0.0285(7) Uani 1 1 d . . .
C6 C 0.05967(14) 0.2967(4) 0.2395(3) 0.0289(9) Uani 1 1 d . . .
C25 C 0.13777(14) -0.2112(3) -0.0282(2) 0.0276(8) Uani 1 1 d . . .
H25A H 0.1216 -0.2755 -0.0648 0.033 Uiso 1 1 calc R . .
H25B H 0.1674 -0.2037 -0.0352 0.033 Uiso 1 1 calc R . .
B7 B 0.03473(15) 0.2001(4) 0.1577(3) 0.0262(9) Uani 1 1 d . . .
B1 B 0.10418(16) 0.3336(4) 0.1237(3) 0.0290(10) Uani 1 1 d . . .
H1 H 0.1131 0.3994 0.0832 0.035 Uiso 1 1 calc R . .
B5 B 0.10423(15) 0.3721(4) 0.2262(3) 0.0269(9) Uani 1 1 d . . .
C26 C 0.11195(15) -0.0991(4) -0.0570(3) 0.0361(10) Uani 1 1 d . . .
H26A H 0.0810 -0.1095 -0.0587 0.054 Uiso 1 1 calc R . .
H26B H 0.1121 -0.0792 -0.1129 0.054 Uiso 1 1 calc R . .
H26C H 0.1260 -0.0362 -0.0182 0.054 Uiso 1 1 calc R . .
B3 B 0.06115(16) 0.2283(4) 0.0815(3) 0.0278(9) Uani 1 1 d . . .
H3 H 0.0415 0.2250 0.0132 0.033 Uiso 1 1 calc R . .
C24 C 0.21744(15) -0.1278(4) 0.1141(3) 0.0381(10) Uani 1 1 d . . .
H24A H 0.2350 -0.2000 0.1244 0.057 Uiso 1 1 calc R . .
H24B H 0.2330 -0.0691 0.1555 0.057 Uiso 1 1 calc R . .
H24C H 0.2139 -0.0989 0.0580 0.057 Uiso 1 1 calc R . .
C23 C 0.17198(14) -0.1515(3) 0.1208(2) 0.0301(9) Uani 1 1 d . . .
H23A H 0.1547 -0.0778 0.1104 0.036 Uiso 1 1 calc R . .
H23B H 0.1760 -0.1761 0.1787 0.036 Uiso 1 1 calc R . .
C28 C 0.06746(14) -0.3386(4) 0.0230(3) 0.0331(9) Uani 1 1 d . . .
H28A H 0.0620 -0.3203 -0.0358 0.050 Uiso 1 1 calc R . .
H28B H 0.0392 -0.3341 0.0345 0.050 Uiso 1 1 calc R . .
H28C H 0.0798 -0.4175 0.0351 0.050 Uiso 1 1 calc R . .
B2 B 0.05425(16) 0.3410(4) 0.1444(3) 0.0292(10) Uani 1 1 d . . .
H2 H 0.0300 0.4126 0.1154 0.035 Uiso 1 1 calc R . .
B4 B 0.11774(16) 0.1834(4) 0.1231(3) 0.0267(9) Uani 1 1 d . . .
H4 H 0.1354 0.1510 0.0804 0.032 Uiso 1 1 calc R . .
B10 B 0.14827(16) 0.2743(4) 0.2100(3) 0.0266(9) Uani 1 1 d . . .
N30 N 0.0000 -0.2720(3) 0.2500 0.0204(8) Uani 1 2 d S . .
N40 N 0.2500 -0.2500 0.5000 0.0239(9) Uani 1 2 d S . .
C34 C -0.04832(14) -0.4188(3) 0.1430(2) 0.0289(8) Uani 1 1 d . . .
H34A H -0.0538 -0.3666 0.0950 0.043 Uiso 1 1 calc R . .
H34B H -0.0740 -0.4710 0.1337 0.043 Uiso 1 1 calc R . .
H34C H -0.0214 -0.4651 0.1498 0.043 Uiso 1 1 calc R . .
C31 C -0.00422(12) -0.1963(3) 0.3204(2) 0.0222(7) Uani 1 1 d . . .
H31A H -0.0329 -0.1532 0.2997 0.027 Uiso 1 1 calc R . .
H31B H -0.0056 -0.2478 0.3662 0.027 Uiso 1 1 calc R . .
C33 C -0.04183(12) -0.3472(3) 0.2211(2) 0.0230(7) Uani 1 1 d . . .
H33A H -0.0412 -0.4010 0.2670 0.028 Uiso 1 1 calc R . .
H33B H -0.0682 -0.2959 0.2112 0.028 Uiso 1 1 calc R . .
C32 C 0.03309(14) -0.1096(3) 0.3557(2) 0.0285(8) Uani 1 1 d . . .
H32A H 0.0619 -0.1506 0.3738 0.043 Uiso 1 1 calc R . .
H32B H 0.0290 -0.0697 0.4036 0.043 Uiso 1 1 calc R . .
H32C H 0.0327 -0.0523 0.3128 0.043 Uiso 1 1 calc R . .
C41 C 0.2682(3) -0.3382(6) 0.5671(5) 0.0271(16) Uani 0.50 1 d P A 1
H41A H 0.2569 -0.4158 0.5440 0.033 Uiso 0.50 1 calc PR A 1
H41B H 0.3012 -0.3396 0.5819 0.033 Uiso 0.50 1 calc PR A 1
C45 C 0.2627(3) -0.2833(7) 0.4247(5) 0.0296(17) Uani 0.50 1 d P A 2
H45A H 0.2958 -0.2837 0.4421 0.036 Uiso 0.50 1 calc PR A 2
H45B H 0.2525 -0.3643 0.4093 0.036 Uiso 0.50 1 calc PR A 2
C43 C 0.2293(4) -0.3723(8) 0.4693(6) 0.054(3) Uani 0.50 1 d P A 1
H43A H 0.2401 -0.3982 0.4239 0.065 Uiso 0.50 1 calc PR A 1
H43B H 0.2409 -0.4282 0.5160 0.065 Uiso 0.50 1 calc PR A 1
C47 C 0.2996(3) -0.2673(11) 0.5219(6) 0.059(3) Uani 0.50 1 d P A 2
H47A H 0.3058 -0.3003 0.4732 0.071 Uiso 0.50 1 calc PR A 2
H47B H 0.3101 -0.3240 0.5683 0.071 Uiso 0.50 1 calc PR A 2
C42 C 0.2578(9) -0.3217(15) 0.6438(12) 0.030(4) Uani 0.50 1 d P A 1
H42A H 0.2696 -0.2464 0.6687 0.045 Uiso 0.50 1 calc PR A 1
H42B H 0.2716 -0.3844 0.6832 0.045 Uiso 0.50 1 calc PR A 1
H42C H 0.2253 -0.3234 0.6309 0.045 Uiso 0.50 1 calc PR A 1
C44 C 0.1814(10) -0.379(3) 0.440(2) 0.148(17) Uani 0.50 1 d P A 1
H44A H 0.1691 -0.3175 0.3985 0.222 Uiso 0.50 1 calc PR A 1
H44B H 0.1703 -0.3696 0.4865 0.222 Uiso 0.50 1 calc PR A 1
H44C H 0.1720 -0.4554 0.4135 0.222 Uiso 0.50 1 calc PR A 1
H10 H 0.1787(13) 0.310(3) 0.222(2) 0.021(10) Uiso 1 1 d . . .
H7 H 0.0020(13) 0.186(3) 0.144(2) 0.018(9) Uiso 1 1 d . . .
H8 H 0.0600(13) 0.018(3) 0.101(2) 0.022(10) Uiso 1 1 d . . .
H5 H 0.1125(13) 0.464(4) 0.253(2) 0.028(11) Uiso 1 1 d . . .
H6A H 0.0399(14) 0.339(4) 0.259(3) 0.032(11) Uiso 1 1 d . . .
H6B H 0.0781(14) 0.251(4) 0.270(2) 0.024(11) Uiso 1 1 d . . .
H78 H 0.0572(16) 0.109(4) 0.193(3) 0.046(14) Uiso 1 1 d . . .
H51 H 0.1338(14) 0.304(4) 0.268(3) 0.033(11) Uiso 1 1 d . . .
C48 C 0.3257(6) -0.152(3) 0.5480(14) 0.076(8) Uani 0.50 1 d P A 2
H48A H 0.3228 -0.1054 0.4982 0.114 Uiso 0.50 1 calc PR A 2
H48B H 0.3574 -0.1694 0.5772 0.114 Uiso 0.50 1 calc PR A 2
H48C H 0.3136 -0.1086 0.5852 0.114 Uiso 0.50 1 calc PR A 2
C46 C 0.2455(8) -0.2100(14) 0.3477(13) 0.031(3) Uani 0.50 1 d P A 2
H46A H 0.2128 -0.2162 0.3250 0.046 Uiso 0.50 1 calc PR A 2
H46B H 0.2583 -0.2374 0.3061 0.046 Uiso 0.50 1 calc PR A 2
H46C H 0.2540 -0.1286 0.3617 0.046 Uiso 0.50 1 calc PR 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'
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
C93 Pt9 C91 90.62(15) . .
C93 Pt9 B4 133.52(16) . .
C91 Pt9 B4 132.69(16) . .
C93 Pt9 B8 170.84(15) . .
C91 Pt9 B8 91.42(15) . .
B4 Pt9 B8 48.13(17) . .
C93 Pt9 B10 90.02(16) . .
C91 Pt9 B10 174.15(15) . .
B4 Pt9 B10 48.83(17) . .
B8 Pt9 B10 87.06(17) . .
N92 C91 Pt9 177.3(3) . .
N94 C93 Pt9 175.8(4) . .
B4 B8 B3 59.5(3) . .
B4 B8 B7 104.1(3) . .
B3 B8 B7 58.3(2) . .
B4 B8 Pt9 64.0(2) . .
B3 B8 Pt9 115.8(3) . .
B7 B8 Pt9 113.0(2) . .
B4 B8 H8 127(2) . .
B3 B8 H8 114(2) . .
B7 B8 H8 115(2) . .
Pt9 B8 H8 123(2) . .
B4 B8 H78 125(2) . .
B3 B8 H78 100(2) . .
B7 B8 H78 43(2) . .
Pt9 B8 H78 88(2) . .
H8 B8 H78 109(3) . .
C25 N20 C23 110.9(3) . .
C25 N20 C21 106.5(3) . .
C23 N20 C21 110.8(3) . .
C25 N20 C27 111.5(3) . .
C23 N20 C27 106.3(3) . .
C21 N20 C27 110.8(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C28 C27 N20 115.0(3) . .
C28 C27 H27A 108.5 . .
N20 C27 H27A 108.5 . .
C28 C27 H27B 108.5 . .
N20 C27 H27B 108.5 . .
H27A C27 H27B 107.5 . .
N20 C21 C22 114.9(3) . .
N20 C21 H21A 108.6 . .
C22 C21 H21A 108.6 . .
N20 C21 H21B 108.6 . .
C22 C21 H21B 108.6 . .
H21A C21 H21B 107.5 . .
B2 C6 B5 62.6(3) . .
B2 C6 B7 62.9(3) . .
B5 C6 B7 112.6(3) . .
B2 C6 H6A 110(3) . .
B5 C6 H6A 118(3) . .
B7 C6 H6A 116(3) . .
B2 C6 H6B 129(3) . .
B5 C6 H6B 88(3) . .
B7 C6 H6B 98(3) . .
H6A C6 H6B 121(4) . .
N20 C25 C26 114.5(3) . .
N20 C25 H25A 108.6 . .
C26 C25 H25A 108.6 . .
N20 C25 H25B 108.6 . .
C26 C25 H25B 108.6 . .
H25A C25 H25B 107.6 . .
C6 B7 B2 55.9(2) . .
C6 B7 B3 105.3(3) . .
B2 B7 B3 58.3(2) . .
C6 B7 B8 113.8(3) . .
B2 B7 B8 106.2(3) . .
B3 B7 B8 58.1(2) . .
C6 B7 H7 117(2) . .
B2 B7 H7 120(2) . .
B3 B7 H7 124(2) . .
B8 B7 H7 124(2) . .
C6 B7 H78 96(2) . .
B2 B7 H78 129(2) . .
B3 B7 H78 100(2) . .
B8 B7 H78 43(2) . .
H7 B7 H78 110(3) . .
B2 B1 B4 106.7(3) . .
B2 B1 B3 59.2(3) . .
B4 B1 B3 59.6(3) . .
B2 B1 B10 111.6(3) . .
B4 B1 B10 60.7(2) . .
B3 B1 B10 110.8(3) . .
B2 B1 B5 59.7(3) . .
B4 B1 B5 108.8(3) . .
B3 B1 B5 108.0(3) . .
B10 B1 B5 63.4(3) . .
B2 B1 H1 121.9 . .
B4 B1 H1 122.5 . .
B3 B1 H1 121.7 . .
B10 B1 H1 118.1 . .
B5 B1 H1 120.9 . .
C6 B5 B2 56.3(3) . .
C6 B5 B1 105.5(3) . .
B2 B5 B1 58.4(3) . .
C6 B5 B10 113.5(3) . .
B2 B5 B10 106.2(3) . .
B1 B5 B10 58.1(2) . .
C6 B5 H5 120(2) . .
B2 B5 H5 122(2) . .
B1 B5 H5 123(2) . .
B10 B5 H5 122(2) . .
C6 B5 H51 96(2) . .
B2 B5 H51 129(2) . .
B1 B5 H51 99(2) . .
B10 B5 H51 41.6(19) . .
H5 B5 H51 109(3) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
B2 B3 B4 106.9(3) . .
B2 B3 B1 59.0(3) . .
B4 B3 B1 60.0(3) . .
B2 B3 B8 112.2(3) . .
B4 B3 B8 59.9(2) . .
B1 B3 B8 110.6(3) . .
B2 B3 B7 60.2(3) . .
B4 B3 B7 108.4(3) . .
B1 B3 B7 108.1(3) . .
B8 B3 B7 63.6(2) . .
B2 B3 H3 121.5 . .
B4 B3 H3 122.9 . .
B1 B3 H3 121.7 . .
B8 B3 H3 118.2 . .
B7 B3 H3 120.7 . .
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 . .
C24 C23 N20 114.9(3) . .
C24 C23 H23A 108.5 . .
N20 C23 H23A 108.5 . .
C24 C23 H23B 108.5 . .
N20 C23 H23B 108.5 . .
H23A C23 H23B 107.5 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C6 B2 B1 112.4(3) . .
C6 B2 B3 112.4(3) . .
B1 B2 B3 61.8(3) . .
C6 B2 B5 61.1(3) . .
B1 B2 B5 61.9(3) . .
B3 B2 B5 111.8(3) . .
C6 B2 B7 61.3(3) . .
B1 B2 B7 111.3(3) . .
B3 B2 B7 61.4(3) . .
B5 B2 B7 110.1(3) . .
C6 B2 H2 119.1 . .
B1 B2 H2 119.1 . .
B3 B2 H2 119.0 . .
B5 B2 H2 120.1 . .
B7 B2 H2 120.5 . .
B3 B4 B8 60.6(2) . .
B3 B4 B1 60.4(3) . .
B8 B4 B1 111.4(3) . .
B3 B4 B10 110.7(3) . .
B8 B4 B10 116.7(3) . .
B1 B4 B10 59.9(2) . .
B3 B4 Pt9 120.0(3) . .
B8 B4 Pt9 67.9(2) . .
B1 B4 Pt9 119.6(3) . .
B10 B4 Pt9 67.5(2) . .
B3 B4 H4 119.9 . .
B8 B4 H4 117.6 . .
B1 B4 H4 120.0 . .
B10 B4 H4 118.4 . .
Pt9 B4 H4 109.7 . .
B1 B10 B4 59.3(2) . .
B1 B10 B5 58.6(2) . .
B4 B10 B5 104.1(3) . .
B1 B10 Pt9 115.7(3) . .
B4 B10 Pt9 63.62(19) . .
B5 B10 Pt9 113.6(3) . .
B1 B10 H10 116(2) . .
B4 B10 H10 128(2) . .
B5 B10 H10 116(2) . .
Pt9 B10 H10 121(2) . .
B1 B10 H51 98.4(19) . .
B4 B10 H51 124.0(19) . .
B5 B10 H51 40.8(19) . .
Pt9 B10 H51 89.8(19) . .
H10 B10 H51 108(3) . .
C33 N30 C33 110.8(4) 2 .
C33 N30 C31 111.6(2) 2 .
C33 N30 C31 106.28(19) . .
C33 N30 C31 106.28(19) 2 2
C33 N30 C31 111.6(2) . 2
C31 N30 C31 110.3(4) . 2
C41 N40 C41 180.0(6) . 7_546
C41 N40 C47 67.4(5) . .
C41 N40 C47 112.6(5) 7_546 .
C41 N40 C47 112.6(5) . 7_546
C41 N40 C47 67.4(5) 7_546 7_546
C47 N40 C47 180.00(19) . 7_546
C41 N40 C45 70.6(4) . 7_546
C41 N40 C45 109.4(4) 7_546 7_546
C47 N40 C45 112.2(5) . 7_546
C47 N40 C45 67.8(5) 7_546 7_546
C41 N40 C45 109.4(4) . .
C41 N40 C45 70.6(4) 7_546 .
C47 N40 C45 67.8(5) . .
C47 N40 C45 112.2(5) 7_546 .
C45 N40 C45 180.0(5) 7_546 .
C41 N40 C43 70.0(5) . .
C41 N40 C43 110.0(5) 7_546 .
C47 N40 C43 104.6(7) . .
C47 N40 C43 75.4(7) 7_546 .
C45 N40 C43 107.9(5) 7_546 .
C45 N40 C43 72.1(5) . .
C41 N40 C43 110.0(5) . 7_546
C41 N40 C43 70.0(5) 7_546 7_546
C47 N40 C43 75.4(7) . 7_546
C47 N40 C43 104.6(7) 7_546 7_546
C45 N40 C43 72.1(5) 7_546 7_546
C45 N40 C43 107.9(5) . 7_546
C43 N40 C43 180.0(14) . 7_546
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C32 C31 N30 115.2(3) . .
C32 C31 H31A 108.5 . .
N30 C31 H31A 108.5 . .
C32 C31 H31B 108.5 . .
N30 C31 H31B 108.5 . .
H31A C31 H31B 107.5 . .
C34 C33 N30 115.9(3) . .
C34 C33 H33A 108.3 . .
N30 C33 H33A 108.3 . .
C34 C33 H33B 108.3 . .
N30 C33 H33B 108.3 . .
H33A C33 H33B 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 . .
C42 C41 N40 116.8(8) . .
C42 C41 H41A 108.1 . .
N40 C41 H41A 108.1 . .
C42 C41 H41B 108.1 . .
N40 C41 H41B 108.1 . .
H41A C41 H41B 107.3 . .
C46 C45 N40 118.3(8) . .
C46 C45 H45A 107.7 . .
N40 C45 H45A 107.7 . .
C46 C45 H45B 107.7 . .
N40 C45 H45B 107.7 . .
H45A C45 H45B 107.1 . .
C44 C43 N40 116.4(18) . .
C44 C43 H43A 108.2 . .
N40 C43 H43A 108.2 . .
C44 C43 H43B 108.2 . .
N40 C43 H43B 108.2 . .
H43A C43 H43B 107.3 . .
N40 C47 C48 112.0(12) . .
N40 C47 H47A 109.2 . .
C48 C47 H47A 109.2 . .
N40 C47 H47B 109.2 . .
C48 C47 H47B 109.2 . .
H47A C47 H47B 107.9 . .
C47 C48 H48A 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C47 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt9 C93 2.004(4) .
Pt9 C91 2.019(4) .
Pt9 B4 2.145(4) .
Pt9 B8 2.211(4) .
Pt9 B10 2.213(4) .
C91 N92 1.143(4) .
C93 N94 1.157(5) .
B8 B4 1.778(6) .
B8 B3 1.790(6) .
B8 B7 1.888(6) .
B8 H8 1.08(4) .
B8 H78 1.28(5) .
N20 C25 1.512(4) .
N20 C23 1.517(5) .
N20 C21 1.520(4) .
N20 C27 1.522(5) .
C22 C21 1.546(6) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C27 C28 1.511(6) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C6 B2 1.649(6) .
C6 B5 1.735(6) .
C6 B7 1.747(6) .
C6 H6A 0.94(4) .
C6 H6B 0.83(4) .
C25 C26 1.515(5) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
B7 B2 1.773(6) .
B7 B3 1.794(6) .
B7 H7 1.00(4) .
B7 H78 1.29(5) .
B1 B2 1.736(7) .
B1 B4 1.778(6) .
B1 B3 1.784(7) .
B1 B10 1.788(7) .
B1 B5 1.798(6) .
B1 H1 1.1200 .
B5 B2 1.760(7) .
B5 B10 1.883(6) .
B5 H5 1.15(4) .
B5 H51 1.24(4) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
B3 B2 1.738(6) .
B3 B4 1.771(7) .
B3 H3 1.1200 .
C24 C23 1.509(6) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
B2 H2 1.1200 .
B4 B10 1.803(6) .
B4 H4 1.1200 .
B10 H10 1.01(4) .
B10 H51 1.26(4) .
N30 C33 1.520(4) 2
N30 C33 1.520(4) .
N30 C31 1.522(4) .
N30 C31 1.522(4) 2
N40 C41 1.489(7) .
N40 C41 1.489(7) 7_546
N40 C47 1.504(9) .
N40 C47 1.504(9) 7_546
N40 C45 1.516(7) 7_546
N40 C45 1.516(7) .
N40 C43 1.564(10) .
N40 C43 1.564(10) 7_546
C34 C33 1.517(5) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C31 C32 1.507(5) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C41 C42 1.460(19) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C45 C46 1.50(2) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C43 C44 1.43(3) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C47 C48 1.54(3) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
