#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:14:33 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179833 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/29/7012950.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_7012950
loop_
_publ_author_name
'Lassahn, Paul-Gerhard'
'Lozan, Vasile'
'Wu, Biao'
'Weller, Andrew S.'
'Janiak, Christoph'
_publ_section_title
;
 Dihalogeno(diphosphane)metal(ii) complexes (metal = Co, Ni, Pd) as
 pre-catalysts for the vinyl/addition polymerization of norbornene ?
 elucidation of the activation process with B(C6F5)3/AlEt3 or
 Ag[closo-1-CB11H12] and evidence for the in situ formation of ?naked?
 Pd2+ as a highly active speciesElectronic supplementary information
 (ESI) available: Full 1H, 19F and 31P NMR data of compounds 5 and 6 in
 combination with different amounts of B(C6F5)3/AlEt3. See
 http://www.rsc.org/suppdata/dt/b3/b302937a/
;
_journal_issue                   23
_journal_name_full               'Dalton Transactions'
_journal_page_first              4437
_journal_paper_doi               10.1039/b302937a
_journal_year                    2003
_chemical_formula_moiety         'Pd{Ph2P(CH2)2PPh2}2, 2[CB11H11Cl], 3CH2Cl2'
_chemical_formula_sum            'C57 H75 B22 Cl8 P4 Pd'
_chemical_formula_weight         1511.89
_chemical_name_systematic
; 
[Bis(1,2-(diphenylphosphino)ethane)palladium(II)]-
di(chloro-1-carbadodecaboranyl)-tris methylene chloride  
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 119.1590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.7500(15)
_cell_length_b                   16.0288(12)
_cell_length_c                   13.7704(11)
_cell_measurement_temperature    213(2)
_cell_volume                     3806.8(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker AXS CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0277
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11893
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    0.645
_exptl_absorpt_correction_T_max  0.9383
_exptl_absorpt_correction_T_min  0.8928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       isometric
_exptl_crystal_F_000             1538
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         4726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0418
_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)+(0.0815P)²+0.3305P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1181
_refine_ls_wR_factor_ref         0.1274
_reflns_number_gt                3808
_reflns_number_total             4726
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b302937a.txt
_cod_data_source_block           lassb
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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      C2/m
_cod_database_code               7012950
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -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
Pd Pd 0.0000 0.0000 0.0000 0.03800(12) Uani 1 4 d S . .
P P -0.03716(4) 0.09583(4) -0.14584(5) 0.05094(18) Uani 1 1 d . . .
C1 C -0.0223(3) 0.0416(2) -0.2516(3) 0.1119(18) Uani 1 1 d . . .
H1A H -0.0629 0.0603 -0.3248 0.134 Uiso 1 1 calc R . .
H1B H 0.0274 0.0603 -0.2436 0.134 Uiso 1 1 calc R . .
C3 C 0.01282(15) 0.19501(18) -0.1248(2) 0.0549(6) Uani 1 1 d . . .
C4 C 0.0890(2) 0.1948(3) -0.1026(3) 0.0889(11) Uani 1 1 d . . .
H4A H 0.1143 0.1443 -0.0992 0.107 Uiso 1 1 calc R . .
C5 C 0.1279(2) 0.2714(4) -0.0852(4) 0.1132(17) Uani 1 1 d . . .
H5A H 0.1802 0.2721 -0.0681 0.136 Uiso 1 1 calc R . .
C6 C 0.0910(2) 0.3444(3) -0.0929(3) 0.0971(13) Uani 1 1 d . . .
H6A H 0.1173 0.3953 -0.0824 0.116 Uiso 1 1 calc R . .
C7 C 0.0159(2) 0.3438(2) -0.1159(3) 0.0828(10) Uani 1 1 d . . .
H7A H -0.0098 0.3944 -0.1218 0.098(13) Uiso 1 1 calc R . .
C8 C -0.02311(18) 0.26930(18) -0.1307(2) 0.0643(7) Uani 1 1 d . . .
H8A H -0.0747 0.2696 -0.1449 0.077 Uiso 1 1 calc R . .
C9 C -0.13901(16) 0.11956(16) -0.2132(2) 0.0568(6) Uani 1 1 d . . .
C10 C -0.18245(18) 0.1034(2) -0.1612(3) 0.0757(9) Uani 1 1 d . . .
H10A H -0.1584 0.0806 -0.0892 0.091 Uiso 1 1 calc R . .
C11 C -0.2604(2) 0.1206(3) -0.2143(4) 0.1032(14) Uani 1 1 d . . .
H11A H -0.2890 0.1116 -0.1771 0.124 Uiso 1 1 calc R . .
C12 C -0.2969(3) 0.1506(3) -0.3207(4) 0.1135(16) Uani 1 1 d . . .
H12A H -0.3507 0.1599 -0.3578 0.136 Uiso 1 1 calc R . .
C13 C -0.2546(3) 0.1670(3) -0.3728(4) 0.1173(18) Uani 1 1 d . . .
H13A H -0.2795 0.1890 -0.4453 0.141 Uiso 1 1 calc R . .
C14 C -0.1765(2) 0.1519(2) -0.3210(3) 0.0910(11) Uani 1 1 d . . .
H14A H -0.1482 0.1633 -0.3580 0.109 Uiso 1 1 calc R . .
C1B C -0.2350(3) 0.0000 -0.5850(4) 0.0782(13) Uani 1 2 d S . .
H1 H -0.2367 0.0000 -0.5056 0.094 Uiso 1 2 calc SR . .
B2 B -0.2063(3) 0.0878(3) -0.6264(4) 0.0858(12) Uani 1 1 d . . .
H2 H -0.1875 0.1459 -0.5762 0.103 Uiso 1 1 calc R . .
B3 B -0.1476(3) 0.0000 -0.5854(5) 0.0896(19) Uani 1 2 d S . .
H3 H -0.0904 0.0000 -0.5085 0.107 Uiso 1 2 calc SR . .
B6 B -0.3031(2) 0.0547(3) -0.6952(3) 0.0850(12) Uani 1 1 d . . .
H6 H -0.3493 0.0914 -0.6911 0.102 Uiso 1 1 calc R . .
B7 B -0.1638(2) 0.0543(3) -0.7051(3) 0.0893(13) Uani 1 1 d . . .
H7 H -0.1172 0.0904 -0.7088 0.107 Uiso 1 1 calc R . .
B9 B -0.2612(3) -0.0899(3) -0.7738(3) 0.0802(11) Uani 1 1 d . . .
H9 H -0.2791 -0.1490 -0.8217 0.096 Uiso 1 1 calc R . .
B10 B -0.3216(3) 0.0000 -0.8169(5) 0.0797(16) Uani 1 2 d S . .
H10 H -0.3791 0.0000 -0.8933 0.096 Uiso 1 2 calc SR . .
B12 B -0.2343(3) 0.0000 -0.8206(4) 0.0565(10) Uani 1 2 d S . .
Cl1 Cl -0.23121(6) 0.0000 -0.95172(8) 0.0740(3) Uani 1 2 d S . .
Cl2 Cl -0.01929(8) 0.25526(9) -0.41101(10) 0.1199(4) Uani 1 1 d . . .
C27 C 0.0000 0.1969(4) -0.5000 0.115(2) Uani 1 2 d S . .
H27A H -0.0446 0.1608 -0.5444 0.138 Uiso 0.50 1 calc PR . .
H27B H 0.0446 0.1608 -0.4556 0.138 Uiso 0.50 1 calc PR . .
Cl3 Cl -0.5277(6) 0.0000 -0.6725(10) 0.283(4) Uiso 0.50 2 d SP . .
C28 C -0.4329(15) 0.0000 -0.546(2) 0.167(8) Uani 0.50 2 d SP . .
H28A H -0.3987 -0.0316 -0.5424 0.201 Uiso 0.13 1 d P . .
H28B H -0.4143 0.0678 -0.5543 0.201 Uiso 0.13 1 d P . .
Cl4 Cl -0.4936(11) 0.0000 -0.4484(13) 0.364(7) Uiso 0.50 2 d SP . .
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'
Cl Cl 0.1484 0.1585 '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'
Pd Pd -0.9988 1.0072 '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
P Pd P 180.00(3) 2 6 ?
P Pd P 81.88(3) 2 5 ?
P Pd P 98.12(3) 6 5 ?
P Pd P 98.12(3) 2 . ?
P Pd P 81.88(3) 6 . ?
P Pd P 180.00(3) 5 . ?
C9 P C3 106.34(12) . . ?
C9 P C1 105.1(2) . . ?
C3 P C1 104.82(17) . . ?
C9 P Pd 112.67(9) . . ?
C3 P Pd 121.17(8) . . ?
C1 P Pd 105.34(11) . . ?
C1 C1 P 118.23(11) 6 . ?
C1 C1 H1A 107.8 6 . ?
P C1 H1A 107.8 . . ?
C1 C1 H1B 107.8 6 . ?
P C1 H1B 107.8 . . ?
H1A C1 H1B 107.1 . . ?
C8 C3 C4 119.5(3) . . ?
C8 C3 P 121.7(2) . . ?
C4 C3 P 118.7(3) . . ?
C3 C4 C5 118.8(4) . . ?
C3 C4 H4A 120.6 . . ?
C5 C4 H4A 120.6 . . ?
C6 C5 C4 120.7(3) . . ?
C6 C5 H5A 119.6 . . ?
C4 C5 H5A 119.6 . . ?
C5 C6 C7 119.9(4) . . ?
C5 C6 H6A 120.1 . . ?
C7 C6 H6A 120.1 . . ?
C6 C7 C8 120.5(4) . . ?
C6 C7 H7A 119.7 . . ?
C8 C7 H7A 119.7 . . ?
C3 C8 C7 120.5(3) . . ?
C3 C8 H8A 119.7 . . ?
C7 C8 H8A 119.7 . . ?
C10 C9 C14 118.6(3) . . ?
C10 C9 P 120.9(2) . . ?
C14 C9 P 120.5(3) . . ?
C11 C10 C9 120.3(3) . . ?
C11 C10 H10A 119.8 . . ?
C9 C10 H10A 119.8 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11A 119.7 . . ?
C10 C11 H11A 119.7 . . ?
C13 C12 C11 119.6(4) . . ?
C13 C12 H12A 120.2 . . ?
C11 C12 H12A 120.2 . . ?
C12 C13 C14 121.0(4) . . ?
C12 C13 H13A 119.5 . . ?
C14 C13 H13A 119.5 . . ?
C13 C14 C9 119.9(4) . . ?
C13 C14 H14A 120.0 . . ?
C9 C14 H14A 120.0 . . ?
B6 C1B B6 62.0(4) 6 . ?
B6 C1B B2 61.7(3) 6 6 ?
B6 C1B B2 111.9(3) . 6 ?
B6 C1B B2 111.9(3) 6 . ?
B6 C1B B2 61.7(3) . . ?
B2 C1B B2 110.3(4) 6 . ?
B6 C1B B3 110.8(3) 6 . ?
B6 C1B B3 110.8(3) . . ?
B2 C1B B3 60.5(2) 6 . ?
B2 C1B B3 60.5(2) . . ?
B6 C1B H1 119.2 6 . ?
B6 C1B H1 119.2 . . ?
B2 C1B H1 120.1 6 . ?
B2 C1B H1 120.1 . . ?
B3 C1B H1 120.9 . . ?
C1B B2 B3 60.2(3) . . ?
C1B B2 B7 106.9(3) . . ?
B3 B2 B7 60.4(3) . . ?
C1B B2 B6 58.8(3) . . ?
B3 B2 B6 108.1(3) . . ?
B7 B2 B6 107.4(3) . . ?
C1B B2 B9 106.2(3) . 6 ?
B3 B2 B9 109.1(3) . 6 ?
B7 B2 B9 60.5(2) . 6 ?
B6 B2 B9 59.3(3) . 6 ?
C1B B2 H2 123.1 . . ?
B3 B2 H2 120.7 . . ?
B7 B2 H2 121.8 . . ?
B6 B2 H2 122.4 . . ?
B9 B2 H2 121.9 6 . ?
C1B B3 B2 59.4(2) . 6 ?
C1B B3 B2 59.4(2) . . ?
B2 B3 B2 108.5(4) 6 . ?
C1B B3 B7 106.2(3) . . ?
B2 B3 B7 108.1(3) 6 . ?
B2 B3 B7 60.2(2) . . ?
C1B B3 B7 106.2(3) . 6 ?
B2 B3 B7 60.2(2) 6 6 ?
B2 B3 B7 108.1(3) . 6 ?
B7 B3 B7 59.7(4) . 6 ?
C1B B3 H3 123.4 . . ?
B2 B3 H3 121.3 6 . ?
B2 B3 H3 121.3 . . ?
B7 B3 H3 122.2 . . ?
B7 B3 H3 122.2 6 . ?
C1B B6 B9 108.1(3) . 6 ?
C1B B6 B2 59.5(2) . . ?
B9 B6 B2 61.0(3) 6 . ?
C1B B6 B6 58.98(19) . 6 ?
B9 B6 B6 108.8(2) 6 6 ?
B2 B6 B6 107.6(2) . 6 ?
C1B B6 B10 107.4(3) . . ?
B9 B6 B10 60.9(2) 6 . ?
B2 B6 B10 109.3(3) . . ?
B6 B6 B10 60.21(18) 6 . ?
C1B B6 H6 122.7 . . ?
B9 B6 H6 120.7 6 . ?
B2 B6 H6 121.3 . . ?
B6 B6 H6 122.0 6 . ?
B10 B6 H6 121.2 . . ?
B7 B7 B2 107.9(2) 6 . ?
B7 B7 B3 60.17(18) 6 . ?
B2 B7 B3 59.4(2) . . ?
B7 B7 B12 60.19(19) 6 . ?
B2 B7 B12 107.9(3) . . ?
B3 B7 B12 107.9(3) . . ?
B7 B7 B9 108.7(2) 6 6 ?
B2 B7 B9 60.5(3) . 6 ?
B3 B7 B9 108.3(3) . 6 ?
B12 B7 B9 60.0(2) . 6 ?
B7 B7 H7 121.4 6 . ?
B2 B7 H7 121.9 . . ?
B3 B7 H7 121.9 . . ?
B12 B7 H7 121.8 . . ?
B9 B7 H7 121.1 6 . ?
B6 B9 B12 106.4(3) 6 . ?
B6 B9 B7 106.5(3) 6 6 ?
B12 B9 B7 59.4(2) . 6 ?
B6 B9 B2 59.7(2) 6 6 ?
B12 B9 B2 106.1(3) . 6 ?
B7 B9 B2 59.0(2) 6 6 ?
B6 B9 B10 60.1(3) 6 . ?
B12 B9 B10 59.3(2) . . ?
B7 B9 B10 107.1(3) 6 . ?
B2 B9 B10 107.7(3) 6 . ?
B6 B9 H9 122.4 6 . ?
B12 B9 H9 123.0 . . ?
B7 B9 H9 122.6 6 . ?
B2 B9 H9 122.4 6 . ?
B10 B9 H9 121.8 . . ?
B12 B10 B6 106.1(3) . 6 ?
B12 B10 B6 106.1(3) . . ?
B6 B10 B6 59.6(4) 6 . ?
B12 B10 B9 60.0(2) . 6 ?
B6 B10 B9 106.9(3) 6 6 ?
B6 B10 B9 59.0(2) . 6 ?
B12 B10 B9 60.0(2) . . ?
B6 B10 B9 59.0(2) 6 . ?
B6 B10 B9 106.9(3) . . ?
B9 B10 B9 108.2(4) 6 . ?
B12 B10 H10 122.7 . . ?
B6 B10 H10 122.9 6 . ?
B6 B10 H10 122.9 . . ?
B9 B10 H10 121.8 6 . ?
B9 B10 H10 121.8 . . ?
B10 B12 B7 109.4(3) . 6 ?
B10 B12 B7 109.4(3) . . ?
B7 B12 B7 59.6(4) 6 . ?
B10 B12 B9 60.8(2) . . ?
B7 B12 B9 60.6(3) 6 . ?
B7 B12 B9 108.8(3) . . ?
B10 B12 B9 60.8(2) . 6 ?
B7 B12 B9 108.8(3) 6 6 ?
B7 B12 B9 60.6(3) . 6 ?
B9 B12 B9 109.6(4) . 6 ?
B10 B12 Cl1 122.3(3) . . ?
B7 B12 Cl1 120.0(3) 6 . ?
B7 B12 Cl1 120.0(3) . . ?
B9 B12 Cl1 121.35(19) . . ?
B9 B12 Cl1 121.35(19) 6 . ?
Cl2 C27 Cl2 114.3(4) . 2_554 ?
Cl2 C27 H27A 108.7 . . ?
Cl2 C27 H27A 108.7 2_554 . ?
Cl2 C27 H27B 108.7 . . ?
Cl2 C27 H27B 108.7 2_554 . ?
H27A C27 H27B 107.6 . . ?
Cl4 Cl3 C28 49.1(9) 5_454 . ?
Cl4 C28 Cl3 53.4(11) 5_454 . ?
Cl4 C28 H28A 142.1 5_454 . ?
Cl3 C28 H28A 119.3 . . ?
Cl4 C28 H28B 110.8 5_454 . ?
Cl3 C28 H28B 97.7 . . ?
H28A C28 H28B 107.0 . . ?
Cl4 Cl4 C28 107(2) 5_454 5_454 ?
Cl4 Cl4 Cl3 175(3) 5_454 5_454 ?
C28 Cl4 Cl3 77.5(14) 5_454 5_454 ?
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
Pd P 2.3442(6) 2 ?
Pd P 2.3442(6) 6 ?
Pd P 2.3442(6) 5 ?
Pd P 2.3442(6) . ?
P C9 1.798(3) . ?
P C3 1.818(3) . ?
P C1 1.837(3) . ?
C1 C1 1.334(7) 6 ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C3 C8 1.368(4) . ?
C3 C4 1.381(4) . ?
C4 C5 1.407(6) . ?
C4 H4A 0.9400 . ?
C5 C6 1.355(6) . ?
C5 H5A 0.9400 . ?
C6 C7 1.358(6) . ?
C6 H6A 0.9400 . ?
C7 C8 1.380(4) . ?
C7 H7A 0.9400 . ?
C8 H8A 0.9400 . ?
C9 C10 1.384(4) . ?
C9 C14 1.396(4) . ?
C10 C11 1.373(5) . ?
C10 H10A 0.9400 . ?
C11 C12 1.368(6) . ?
C11 H11A 0.9400 . ?
C12 C13 1.365(7) . ?
C12 H12A 0.9400 . ?
C13 C14 1.369(6) . ?
C13 H13A 0.9400 . ?
C14 H14A 0.9400 . ?
C1B B6 1.701(6) 6 ?
C1B B6 1.701(6) . ?
C1B B2 1.714(5) 6 ?
C1B B2 1.714(5) . ?
C1B B3 1.728(8) . ?
C1B H1 1.1100 . ?
B2 B3 1.733(6) . ?
B2 B7 1.748(6) . ?
B2 B6 1.752(7) . ?
B2 B9 1.775(6) 6 ?
B2 H2 1.1100 . ?
B3 B2 1.733(6) 6 ?
B3 B7 1.751(6) . ?
B3 B7 1.751(6) 6 ?
B3 H3 1.1100 . ?
B6 B9 1.745(6) 6 ?
B6 B6 1.753(10) 6 ?
B6 B10 1.764(6) . ?
B6 H6 1.1100 . ?
B7 B7 1.742(11) 6 ?
B7 B12 1.751(5) . ?
B7 B9 1.774(7) 6 ?
B7 H7 1.1100 . ?
B9 B6 1.745(6) 6 ?
B9 B12 1.763(5) . ?
B9 B7 1.774(7) 6 ?
B9 B2 1.775(6) 6 ?
B9 B10 1.778(6) . ?
B9 H9 1.1100 . ?
B10 B12 1.750(7) . ?
B10 B6 1.764(6) 6 ?
B10 B9 1.778(6) 6 ?
B10 H10 1.1100 . ?
B12 B7 1.751(5) 6 ?
B12 B9 1.763(5) 6 ?
B12 Cl1 1.836(4) . ?
Cl2 C27 1.725(4) . ?
C27 Cl2 1.725(4) 2_554 ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
Cl3 Cl4 1.505(16) 5_454 ?
Cl3 C28 1.83(3) . ?
C28 Cl4 1.42(2) 5_454 ?
C28 H28A 0.8237 . ?
C28 H28B 1.1684 . ?
Cl4 Cl4 1.32(3) 5_454 ?
Cl4 C28 1.42(2) 5_454 ?
Cl4 Cl3 1.505(16) 5_454 ?
