#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:31:10 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179752 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/48/7004866.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_7004866
loop_
_publ_author_name
'Charmant, Jonathan P. H.'
'Fan, Cheng'
'Norman, Nicholas C.'
'Pringle, Paul G.'
_publ_section_title
;
 Synthesis and reactivity of dichloroboryl complexes of platinum(II).
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              114
_journal_page_last               123
_journal_paper_doi               10.1039/b612039n
_journal_year                    2007
_chemical_formula_moiety         'C36 H30 B Cl3 P2 Pt'
_chemical_formula_sum            'C36 H30 B Cl3 P2 Pt'
_chemical_formula_weight         836.79
_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                 100.45(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.471(6)
_cell_length_b                   11.886(2)
_cell_length_c                   19.635(4)
_cell_measurement_reflns_used    21676
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.482
_cell_measurement_theta_min      2.205
_cell_volume                     6534(2)
_computing_cell_refinement       'SMART v5.628 (Bruker-AXS, 1997-2002)'
_computing_data_collection       'SMART v5.628 (Bruker-AXS, 1997-2002)'
_computing_data_reduction
;
SAINT v7.06A (Bruker-AXS, 1997-2003) & SHELXTL v6.14 (Bruker-AXS, 2003)
;
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXTL (Bruker, 2001)'
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.366
_diffrn_detector_type            'Bruker-AXS SMART APEX'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      'frames, 0.3° width'
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker-AXS D8'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'glass fibre'
_diffrn_radiation_collimation    monocap
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71074
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            36654
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.45
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           40
_diffrn_source_power             2
_diffrn_source_target            Mo
_diffrn_source_voltage           50
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    4.664
_exptl_absorpt_correction_T_max  0.393
_exptl_absorpt_correction_T_min  0.315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.1 (BUCKER AXS, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    none
_exptl_crystal_description       Block
_exptl_crystal_F_000             3280
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.504
_refine_diff_density_min         -0.916
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         7502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.0182
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0195P)²+14.9407P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0439
_refine_ls_wR_factor_ref         0.0446
_reflns_number_gt                7166
_reflns_number_total             7502
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b612039n.txt
_cod_data_source_block           2
_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.

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7004866
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
Pt1 Pt 0.129701(3) 0.828043(6) 0.327922(4) 0.01055(3) Uani 1 1 d . . .
Cl1 Cl 0.18159(2) 0.85401(5) 0.24319(3) 0.01773(10) Uani 1 1 d . . .
P1 P 0.129084(18) 1.01871(4) 0.34789(3) 0.01044(10) Uani 1 1 d . . .
P2 P 0.14473(2) 0.63964(5) 0.31795(3) 0.01323(11) Uani 1 1 d . . .
C7 C 0.10715(8) 1.06443(17) 0.42538(10) 0.0119(4) Uani 1 1 d . . .
C19 C 0.20827(8) 0.62347(18) 0.34808(11) 0.0153(4) Uani 1 1 d . . .
C11 C 0.04202(8) 1.10602(18) 0.48474(11) 0.0156(4) Uani 1 1 d . . .
H11 H 0.0088 1.1156 0.4839 0.019 Uiso 1 1 calc R . .
C23 C 0.28870(9) 0.6108(2) 0.32644(12) 0.0236(5) Uani 1 1 d . . .
H23 H 0.3101 0.5997 0.2951 0.028 Uiso 1 1 calc R . .
C2 C 0.22771(8) 1.0067(2) 0.38895(11) 0.0194(5) Uani 1 1 d . . .
H2 H 0.2226 0.9286 0.3948 0.023 Uiso 1 1 calc R . .
C8 C 0.13944(8) 1.07914(18) 0.48777(11) 0.0144(4) Uani 1 1 d . . .
H8 H 0.1727 1.0703 0.4889 0.017 Uiso 1 1 calc R . .
C17 C 0.06599(8) 1.1155(2) 0.15408(11) 0.0169(4) Uani 1 1 d . . .
H17 H 0.0619 1.0845 0.1088 0.020 Uiso 1 1 calc R . .
C9 C 0.12271(8) 1.10672(18) 0.54798(11) 0.0160(4) Uani 1 1 d . . .
H9 H 0.1446 1.1160 0.5903 0.019 Uiso 1 1 calc R . .
C25 C 0.13013(8) 0.58055(19) 0.23123(11) 0.0164(4) Uani 1 1 d . . .
C13 C 0.09509(7) 1.09879(17) 0.27670(10) 0.0118(4) Uani 1 1 d . . .
C24 C 0.23995(8) 0.6077(2) 0.30225(11) 0.0194(5) Uani 1 1 d . . .
H24 H 0.2280 0.5949 0.2545 0.023 Uiso 1 1 calc R . .
C4 C 0.28130(9) 1.1638(3) 0.39645(14) 0.0308(6) Uani 1 1 d . . .
H4 H 0.3127 1.1934 0.4079 0.037 Uiso 1 1 calc R . .
C10 C 0.07441(8) 1.12066(18) 0.54632(11) 0.0157(4) Uani 1 1 d . . .
H10 H 0.0632 1.1404 0.5874 0.019 Uiso 1 1 calc R . .
C28 C 0.09990(10) 0.4833(2) 0.10216(12) 0.0267(5) Uani 1 1 d . . .
H28 H 0.0896 0.4501 0.0580 0.032 Uiso 1 1 calc R . .
C22 C 0.30665(9) 0.6297(2) 0.39558(12) 0.0223(5) Uani 1 1 d . . .
H22 H 0.3402 0.6321 0.4117 0.027 Uiso 1 1 calc R . .
C18 C 0.08826(8) 1.05289(18) 0.21012(11) 0.0143(4) Uani 1 1 d . . .
H18 H 0.0989 0.9787 0.2033 0.017 Uiso 1 1 calc R . .
C1 C 0.18938(7) 1.07674(19) 0.36267(10) 0.0144(4) Uani 1 1 d . . .
C14 C 0.07852(8) 1.20744(19) 0.28605(11) 0.0153(4) Uani 1 1 d . . .
H14 H 0.0828 1.2393 0.3311 0.018 Uiso 1 1 calc R . .
C30 C 0.09873(9) 0.6381(2) 0.18070(12) 0.0199(5) Uani 1 1 d . . .
H30 H 0.0877 0.7109 0.1901 0.024 Uiso 1 1 calc R . .
C29 C 0.08345(9) 0.5885(2) 0.11621(12) 0.0250(5) Uani 1 1 d . . .
H29 H 0.0616 0.6272 0.0818 0.030 Uiso 1 1 calc R . .
C20 C 0.22655(9) 0.6429(2) 0.41835(12) 0.0205(5) Uani 1 1 d . . .
H20 H 0.2054 0.6544 0.4500 0.025 Uiso 1 1 calc R . .
C21 C 0.27549(9) 0.6452(2) 0.44156(12) 0.0234(5) Uani 1 1 d . . .
H21 H 0.2878 0.6575 0.4893 0.028 Uiso 1 1 calc R . .
C12 C 0.05843(8) 1.07735(18) 0.42450(11) 0.0143(4) Uani 1 1 d . . .
H12 H 0.0363 1.0665 0.3826 0.017 Uiso 1 1 calc R . .
C15 C 0.05585(8) 1.26865(19) 0.22941(12) 0.0180(4) Uani 1 1 d . . .
H15 H 0.0445 1.3423 0.2358 0.022 Uiso 1 1 calc R . .
C5 C 0.24357(10) 1.2339(2) 0.36957(14) 0.0300(6) Uani 1 1 d . . .
H5 H 0.2492 1.3113 0.3622 0.036 Uiso 1 1 calc R . .
C26 C 0.14639(9) 0.47408(19) 0.21712(12) 0.0203(5) Uani 1 1 d . . .
H26 H 0.1677 0.4343 0.2517 0.024 Uiso 1 1 calc R . .
C3 C 0.27328(9) 1.0516(2) 0.40659(12) 0.0263(5) Uani 1 1 d . . .
H3 H 0.2992 1.0043 0.4259 0.032 Uiso 1 1 calc R . .
C6 C 0.19749(9) 1.1907(2) 0.35333(12) 0.0211(5) Uani 1 1 d . . .
H6 H 0.1715 1.2390 0.3358 0.025 Uiso 1 1 calc R . .
C27 C 0.13134(10) 0.4263(2) 0.15216(13) 0.0250(5) Uani 1 1 d . . .
H27 H 0.1427 0.3542 0.1422 0.030 Uiso 1 1 calc R . .
Cl2 Cl 0.01919(2) 0.81869(5) 0.35035(4) 0.02734(13) Uani 1 1 d . . .
Cl3 Cl 0.09180(2) 0.77042(5) 0.47639(3) 0.02787(13) Uani 1 1 d . . .
C31 C 0.11446(8) 0.53897(18) 0.36520(11) 0.0163(4) Uani 1 1 d . . .
C16 C 0.04967(8) 1.22280(19) 0.16339(11) 0.0173(4) Uani 1 1 d . . .
H16 H 0.0343 1.2651 0.1247 0.021 Uiso 1 1 calc R . .
C36 C 0.13787(9) 0.46112(19) 0.41265(11) 0.0198(5) Uani 1 1 d . . .
H36 H 0.1718 0.4587 0.4226 0.024 Uiso 1 1 calc R . .
C32 C 0.06462(9) 0.54010(19) 0.35049(12) 0.0200(5) Uani 1 1 d . . .
H32 H 0.0485 0.5920 0.3175 0.024 Uiso 1 1 calc R . .
B1 B 0.08131(9) 0.8050(2) 0.38679(13) 0.0156(5) Uani 1 1 d . . .
C33 C 0.03839(9) 0.4661(2) 0.38359(13) 0.0235(5) Uani 1 1 d . . .
H33 H 0.0045 0.4676 0.3735 0.028 Uiso 1 1 calc R . .
C35 C 0.11134(10) 0.3867(2) 0.44550(12) 0.0255(5) Uani 1 1 d . . .
H35 H 0.1272 0.3335 0.4777 0.031 Uiso 1 1 calc R . .
C34 C 0.06207(10) 0.3903(2) 0.43138(12) 0.0259(5) Uani 1 1 d . . .
H34 H 0.0443 0.3402 0.4546 0.031 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
B1 Pt1 P2 94.33(7) . . ?
B1 Pt1 P1 90.52(7) . . ?
P2 Pt1 P1 169.45(2) . . ?
B1 Pt1 Cl1 173.03(8) . . ?
P2 Pt1 Cl1 85.40(2) . . ?
P1 Pt1 Cl1 90.91(4) . . ?
C13 P1 C1 106.19(10) . . ?
C13 P1 C7 105.64(10) . . ?
C1 P1 C7 102.05(10) . . ?
C13 P1 Pt1 113.84(7) . . ?
C1 P1 Pt1 111.32(8) . . ?
C7 P1 Pt1 116.67(7) . . ?
C19 P2 C25 108.09(11) . . ?
C19 P2 C31 107.51(10) . . ?
C25 P2 C31 100.02(10) . . ?
C19 P2 Pt1 105.47(7) . . ?
C25 P2 Pt1 116.24(8) . . ?
C31 P2 Pt1 118.96(7) . . ?
C12 C7 C8 119.37(19) . . ?
C12 C7 P1 120.80(16) . . ?
C8 C7 P1 119.67(16) . . ?
C24 C19 C20 119.2(2) . . ?
C24 C19 P2 121.85(17) . . ?
C20 C19 P2 118.36(17) . . ?
C12 C11 C10 119.8(2) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C22 C23 C24 120.8(2) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C3 C2 C1 119.7(2) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C9 C8 C7 120.0(2) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C16 C17 C18 120.6(2) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C10 C9 C8 120.1(2) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C30 C25 C26 120.0(2) . . ?
C30 C25 P2 119.12(17) . . ?
C26 C25 P2 120.62(17) . . ?
C18 C13 C14 119.36(19) . . ?
C18 C13 P1 118.64(16) . . ?
C14 C13 P1 121.86(16) . . ?
C23 C24 C19 120.0(2) . . ?
C23 C24 H24 120.0 . . ?
C19 C24 H24 120.0 . . ?
C3 C4 C5 120.1(2) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C9 C10 C11 120.4(2) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C29 C28 C27 120.1(2) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C23 C22 C21 119.7(2) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C17 C18 C13 120.0(2) . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C6 C1 C2 119.5(2) . . ?
C6 C1 P1 121.39(17) . . ?
C2 C1 P1 118.94(17) . . ?
C15 C14 C13 119.9(2) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C25 C30 C29 119.7(2) . . ?
C25 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C28 C29 C30 120.3(2) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C21 C20 C19 119.9(2) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.4(2) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C11 C12 C7 120.3(2) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
C14 C15 C16 120.3(2) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C27 C26 C25 119.7(2) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C4 C3 C2 120.7(2) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C6 C1 120.1(2) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C28 C27 C26 120.3(2) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C36 C31 C32 119.3(2) . . ?
C36 C31 P2 124.26(18) . . ?
C32 C31 P2 116.41(17) . . ?
C17 C16 C15 119.9(2) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C31 C36 C35 119.8(2) . . ?
C31 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C33 C32 C31 120.6(2) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
Cl3 B1 Cl2 113.12(14) . . ?
Cl3 B1 Pt1 127.03(15) . . ?
Cl2 B1 Pt1 119.85(14) . . ?
C34 C33 C32 119.5(2) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C34 C35 C36 120.3(2) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C35 C34 C33 120.5(2) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
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
Pt1 B1 1.972(3) . ?
Pt1 P2 2.2950(7) . ?
Pt1 P1 2.3005(7) . ?
Pt1 Cl1 2.4368(8) . ?
P1 C13 1.818(2) . ?
P1 C1 1.824(2) . ?
P1 C7 1.829(2) . ?
P2 C19 1.809(2) . ?
P2 C25 1.819(2) . ?
P2 C31 1.824(2) . ?
C7 C12 1.393(3) . ?
C7 C8 1.403(3) . ?
C19 C24 1.398(3) . ?
C19 C20 1.403(3) . ?
C11 C12 1.391(3) . ?
C11 C10 1.392(3) . ?
C11 H11 0.9500 . ?
C23 C22 1.380(3) . ?
C23 C24 1.384(3) . ?
C23 H23 0.9500 . ?
C2 C3 1.387(3) . ?
C2 C1 1.395(3) . ?
C2 H2 0.9500 . ?
C8 C9 1.391(3) . ?
C8 H8 0.9500 . ?
C17 C16 1.380(3) . ?
C17 C18 1.384(3) . ?
C17 H17 0.9500 . ?
C9 C10 1.380(3) . ?
C9 H9 0.9500 . ?
C25 C30 1.389(3) . ?
C25 C26 1.392(3) . ?
C13 C18 1.397(3) . ?
C13 C14 1.398(3) . ?
C24 H24 0.9500 . ?
C4 C3 1.373(4) . ?
C4 C5 1.386(4) . ?
C4 H4 0.9500 . ?
C10 H10 0.9500 . ?
C28 C29 1.380(4) . ?
C28 C27 1.380(4) . ?
C28 H28 0.9500 . ?
C22 C21 1.388(4) . ?
C22 H22 0.9500 . ?
C18 H18 0.9500 . ?
C1 C6 1.391(3) . ?
C14 C15 1.386(3) . ?
C14 H14 0.9500 . ?
C30 C29 1.393(3) . ?
C30 H30 0.9500 . ?
C29 H29 0.9500 . ?
C20 C21 1.385(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C12 H12 0.9500 . ?
C15 C16 1.388(3) . ?
C15 H15 0.9500 . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
C26 C27 1.391(3) . ?
C26 H26 0.9500 . ?
C3 H3 0.9500 . ?
C6 H6 0.9500 . ?
C27 H27 0.9500 . ?
Cl2 B1 1.791(3) . ?
Cl3 B1 1.779(3) . ?
C31 C36 1.394(3) . ?
C31 C32 1.396(3) . ?
C16 H16 0.9500 . ?
C36 C35 1.394(3) . ?
C36 H36 0.9500 . ?
C32 C33 1.389(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.385(4) . ?
C33 H33 0.9500 . ?
C35 C34 1.380(4) . ?
C35 H35 0.9500 . ?
C34 H34 0.9500 . ?
