#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:12:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179780 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/76/7007688.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_7007688
loop_
_publ_author_name
'Liu, Shuang'
'Zhang, Jiasheng'
'Wang, Xin'
'Jin, Guo-Xin'
_publ_section_title
;
 Synthesis and characterization of binuclear half-sandwich metal (Co,
 Ir and Ru) complexes containing ancillary
 ortho-carborane-1,2-dithiolato ligands.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5225
_journal_page_last               5230
_journal_paper_doi               10.1039/b608934h
_journal_year                    2006
_chemical_formula_sum            'C36 H62 B20 Cl4 Co2 N2 S4'
_chemical_formula_weight         1126.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.182(11)
_cell_angle_beta                 108.453(10)
_cell_angle_gamma                96.283(11)
_cell_formula_units_Z            1
_cell_length_a                   10.062(8)
_cell_length_b                   11.190(9)
_cell_length_c                   13.775(11)
_cell_measurement_reflns_used    834
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.153
_cell_measurement_theta_min      3.19
_cell_volume                     1425(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  '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  0.0275
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5933
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.946
_exptl_absorpt_correction_T_max  0.9542
_exptl_absorpt_correction_T_min  0.8333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.313
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             578
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.988
_refine_diff_density_min         -1.200
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         4924
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0613
_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)+(0.1357P)²+0.3204P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1785
_refine_ls_wR_factor_ref         0.1886
_reflns_number_gt                4030
_reflns_number_total             4924
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b608934h.txt
_cod_data_source_block           f60314d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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      P-1
_cod_database_code               7007688
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.68876(5) 0.89922(5) 0.25561(4) 0.0317(2) Uani 1 1 d . . .
S1 S 0.81187(11) 1.05970(10) 0.39045(8) 0.0393(3) Uani 1 1 d . . .
S2 S 0.51549(11) 1.00466(10) 0.18702(8) 0.0387(3) Uani 1 1 d . . .
N1 N 0.8020(3) 0.9436(3) 0.1662(3) 0.0344(7) Uani 1 1 d . . .
C1 C 0.7275(4) 1.1881(4) 0.3616(3) 0.0356(9) Uani 1 1 d . . .
C2 C 0.5775(4) 1.1598(4) 0.2598(3) 0.0386(9) Uani 1 1 d . . .
C3 C 0.9450(4) 0.9689(5) 0.2034(3) 0.0437(10) Uani 1 1 d . . .
H3 H 0.9923 0.9715 0.2739 0.052 Uiso 1 1 calc R . .
C4 C 1.0250(4) 0.9914(5) 0.1406(3) 0.0481(12) Uani 1 1 d . . .
H4 H 1.1239 1.0083 0.1698 0.058 Uiso 1 1 calc R . .
C5 C 0.9596(4) 0.9890(4) 0.0352(3) 0.0372(9) Uani 1 1 d . . .
C6 C 0.8109(4) 0.9634(5) -0.0019(3) 0.0419(10) Uani 1 1 d . . .
H6 H 0.7607 0.9607 -0.0720 0.050 Uiso 1 1 calc R . .
C7 C 0.7384(4) 0.9421(4) 0.0646(3) 0.0411(10) Uani 1 1 d . . .
H7 H 0.6395 0.9257 0.0373 0.049 Uiso 1 1 calc R . .
C8 C 0.7771(5) 0.7491(4) 0.3021(3) 0.0429(10) Uani 1 1 d . . .
C9 C 0.6954(5) 0.7891(4) 0.3666(3) 0.0439(10) Uani 1 1 d . . .
C10 C 0.5529(5) 0.7823(4) 0.3007(4) 0.0460(11) Uani 1 1 d . . .
C11 C 0.5447(5) 0.7327(4) 0.1939(4) 0.0468(11) Uani 1 1 d . . .
C12 C 0.6793(5) 0.7121(4) 0.1952(3) 0.0437(10) Uani 1 1 d . . .
C13 C 0.9292(6) 0.7364(5) 0.3412(4) 0.0608(14) Uani 1 1 d . . .
H13A H 0.9379 0.6652 0.3711 0.091 Uiso 1 1 calc R . .
H13B H 0.9830 0.8088 0.3938 0.091 Uiso 1 1 calc R . .
H13C H 0.9650 0.7271 0.2840 0.091 Uiso 1 1 calc R . .
C14 C 0.7503(6) 0.8255(5) 0.4850(4) 0.0606(14) Uani 1 1 d . . .
H14A H 0.6966 0.8831 0.5080 0.091 Uiso 1 1 calc R . .
H14B H 0.8489 0.8630 0.5095 0.091 Uiso 1 1 calc R . .
H14C H 0.7402 0.7534 0.5127 0.091 Uiso 1 1 calc R . .
C15 C 0.4312(6) 0.8103(6) 0.3352(5) 0.0691(16) Uani 1 1 d . . .
H15A H 0.4063 0.7479 0.3692 0.104 Uiso 1 1 calc R . .
H15B H 0.3509 0.8118 0.2751 0.104 Uiso 1 1 calc R . .
H15C H 0.4580 0.8893 0.3834 0.104 Uiso 1 1 calc R . .
C16 C 0.4082(6) 0.7005(6) 0.1008(4) 0.0668(15) Uani 1 1 d . . .
H16A H 0.4299 0.6943 0.0373 0.100 Uiso 1 1 calc R . .
H16B H 0.3519 0.7637 0.1060 0.100 Uiso 1 1 calc R . .
H16C H 0.3560 0.6230 0.1000 0.100 Uiso 1 1 calc R . .
C17 C 0.7168(7) 0.6537(5) 0.1026(4) 0.0597(14) Uani 1 1 d . . .
H17A H 0.6920 0.5656 0.0895 0.090 Uiso 1 1 calc R . .
H17B H 0.8172 0.6766 0.1174 0.090 Uiso 1 1 calc R . .
H17C H 0.6652 0.6817 0.0419 0.090 Uiso 1 1 calc R . .
B3 B 0.7295(6) 1.2398(5) 0.2508(4) 0.0448(12) Uani 1 1 d . . .
H3A H 0.7857 1.2031 0.1986 0.054 Uiso 1 1 calc R . .
B4 B 0.8229(6) 1.3330(5) 0.3778(4) 0.0500(13) Uani 1 1 d . . .
H4A H 0.9398 1.3565 0.4079 0.060 Uiso 1 1 calc R . .
B5 B 0.7218(6) 1.3032(5) 0.4612(4) 0.0481(12) Uani 1 1 d . . .
H5 H 0.7741 1.3078 0.5454 0.058 Uiso 1 1 calc R . .
B6 B 0.5684(6) 1.1919(5) 0.3851(4) 0.0462(12) Uani 1 1 d . . .
H6A H 0.5215 1.1243 0.4196 0.055 Uiso 1 1 calc R . .
B7 B 0.5610(7) 1.2840(6) 0.2015(5) 0.0565(14) Uani 1 1 d . . .
H7A H 0.5078 1.2760 0.1169 0.068 Uiso 1 1 calc R . .
B8 B 0.7156(7) 1.3976(6) 0.2790(5) 0.0624(16) Uani 1 1 d . . .
H8 H 0.7632 1.4654 0.2451 0.075 Uiso 1 1 calc R . .
B9 B 0.7124(7) 1.4386(5) 0.4091(6) 0.0617(16) Uani 1 1 d . . .
H9 H 0.7580 1.5314 0.4595 0.074 Uiso 1 1 calc R . .
B10 B 0.5536(7) 1.3497(6) 0.4108(5) 0.0604(16) Uani 1 1 d . . .
H10 H 0.4961 1.3862 0.4622 0.072 Uiso 1 1 calc R . .
B11 B 0.4637(6) 1.2553(6) 0.2845(5) 0.0568(15) Uani 1 1 d . . .
H11 H 0.3471 1.2286 0.2533 0.068 Uiso 1 1 calc R . .
B12 B 0.5492(8) 1.4072(6) 0.2974(6) 0.0705(19) Uani 1 1 d . . .
H12 H 0.4891 1.4803 0.2750 0.085 Uiso 1 1 calc R . .
C18 C 0.0901(18) 0.3557(15) 0.2068(14) 0.219(7) Uani 1 1 d U . .
H18A H 0.0262 0.3311 0.2426 0.263 Uiso 1 1 calc R . .
H18B H 0.1725 0.3155 0.2240 0.263 Uiso 1 1 calc R . .
Cl1 Cl 0.0049(10) 0.3369(8) 0.0716(7) 0.393(5) Uani 1 1 d U . .
Cl2 Cl 0.1340(7) 0.5121(7) 0.2263(6) 0.371(4) Uani 1 1 d U . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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'
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
N1 Co1 C11 115.49(17) . . ?
N1 Co1 C8 100.37(16) . . ?
C11 Co1 C8 67.0(2) . . ?
N1 Co1 C12 89.68(16) . . ?
C11 Co1 C12 38.94(19) . . ?
C8 Co1 C12 40.41(18) . . ?
N1 Co1 C10 155.30(17) . . ?
C11 Co1 C10 40.55(18) . . ?
C8 Co1 C10 67.30(19) . . ?
C12 Co1 C10 66.91(19) . . ?
N1 Co1 C9 138.68(17) . . ?
C11 Co1 C9 66.60(19) . . ?
C8 Co1 C9 39.95(18) . . ?
C12 Co1 C9 66.68(18) . . ?
C10 Co1 C9 39.35(18) . . ?
N1 Co1 S1 92.97(11) . . ?
C11 Co1 S1 150.88(14) . . ?
C8 Co1 S1 103.48(14) . . ?
C12 Co1 S1 143.39(14) . . ?
C10 Co1 S1 110.41(14) . . ?
C9 Co1 S1 88.28(14) . . ?
N1 Co1 S2 93.63(11) . . ?
C11 Co1 S2 90.90(15) . . ?
C8 Co1 S2 157.33(14) . . ?
C12 Co1 S2 122.86(14) . . ?
C10 Co1 S2 92.83(15) . . ?
C9 Co1 S2 127.55(14) . . ?
S1 Co1 S2 93.43(7) . . ?
C1 S1 Co1 105.40(15) . . ?
C2 S2 Co1 105.63(15) . . ?
C7 N1 C3 116.6(3) . . ?
C7 N1 Co1 121.3(3) . . ?
C3 N1 Co1 122.0(3) . . ?
C2 C1 B5 110.6(3) . . ?
C2 C1 B3 61.7(3) . . ?
B5 C1 B3 113.2(4) . . ?
C2 C1 B4 111.0(3) . . ?
B5 C1 B4 63.0(3) . . ?
B3 C1 B4 61.5(3) . . ?
C2 C1 B6 61.5(3) . . ?
B5 C1 B6 61.4(3) . . ?
B3 C1 B6 113.6(3) . . ?
B4 C1 B6 113.5(4) . . ?
C2 C1 S1 117.3(3) . . ?
B5 C1 S1 120.9(3) . . ?
B3 C1 S1 118.8(3) . . ?
B4 C1 S1 122.5(3) . . ?
B6 C1 S1 115.8(3) . . ?
C1 C2 B11 110.3(4) . . ?
C1 C2 B7 110.6(4) . . ?
B11 C2 B7 62.0(3) . . ?
C1 C2 B6 61.5(3) . . ?
B11 C2 B6 61.6(3) . . ?
B7 C2 B6 112.8(4) . . ?
C1 C2 B3 61.3(3) . . ?
B11 C2 B3 112.5(4) . . ?
B7 C2 B3 61.8(3) . . ?
B6 C2 B3 113.3(4) . . ?
C1 C2 S2 117.2(3) . . ?
B11 C2 S2 122.2(3) . . ?
B7 C2 S2 122.7(3) . . ?
B6 C2 S2 116.7(3) . . ?
B3 C2 S2 118.1(3) . . ?
N1 C3 C4 122.6(4) . . ?
C5 C4 C3 120.9(4) . . ?
C4 C5 C6 115.7(4) . . ?
C4 C5 C5 122.9(4) . 2_775 ?
C6 C5 C5 121.4(4) . 2_775 ?
C7 C6 C5 120.3(4) . . ?
N1 C7 C6 123.9(4) . . ?
C9 C8 C12 106.8(4) . . ?
C9 C8 C13 125.5(4) . . ?
C12 C8 C13 127.4(4) . . ?
C9 C8 Co1 71.0(3) . . ?
C12 C8 Co1 69.9(2) . . ?
C13 C8 Co1 129.0(3) . . ?
C10 C9 C8 108.6(4) . . ?
C10 C9 C14 125.6(4) . . ?
C8 C9 C14 125.6(4) . . ?
C10 C9 Co1 69.6(2) . . ?
C8 C9 Co1 69.0(2) . . ?
C14 C9 Co1 129.8(3) . . ?
C9 C10 C11 107.2(4) . . ?
C9 C10 C15 126.6(4) . . ?
C11 C10 C15 126.1(5) . . ?
C9 C10 Co1 71.1(3) . . ?
C11 C10 Co1 69.4(2) . . ?
C15 C10 Co1 128.6(4) . . ?
C12 C11 C10 108.6(4) . . ?
C12 C11 C16 127.3(5) . . ?
C10 C11 C16 123.9(5) . . ?
C12 C11 Co1 70.7(3) . . ?
C10 C11 Co1 70.0(2) . . ?
C16 C11 Co1 129.0(4) . . ?
C11 C12 C8 108.8(4) . . ?
C11 C12 C17 126.3(4) . . ?
C8 C12 C17 124.8(5) . . ?
C11 C12 Co1 70.4(3) . . ?
C8 C12 Co1 69.7(2) . . ?
C17 C12 Co1 128.7(3) . . ?
C1 B3 C2 57.1(2) . . ?
C1 B3 B4 59.3(3) . . ?
C2 B3 B4 105.5(4) . . ?
C1 B3 B8 105.1(4) . . ?
C2 B3 B8 105.5(4) . . ?
B4 B3 B8 60.0(3) . . ?
C1 B3 B7 104.8(4) . . ?
C2 B3 B7 58.7(3) . . ?
B4 B3 B7 108.7(4) . . ?
B8 B3 B7 60.7(4) . . ?
C1 B4 B3 59.2(3) . . ?
C1 B4 B8 105.1(4) . . ?
B3 B4 B8 60.0(3) . . ?
C1 B4 B9 104.9(4) . . ?
B3 B4 B9 108.1(4) . . ?
B8 B4 B9 59.9(4) . . ?
C1 B4 B5 58.5(3) . . ?
B3 B4 B5 107.7(4) . . ?
B8 B4 B5 107.1(4) . . ?
B9 B4 B5 59.5(3) . . ?
C1 B5 B6 59.5(3) . . ?
C1 B5 B9 105.3(4) . . ?
B6 B5 B9 108.6(4) . . ?
C1 B5 B10 105.2(4) . . ?
B6 B5 B10 59.8(3) . . ?
B9 B5 B10 60.4(4) . . ?
C1 B5 B4 58.6(3) . . ?
B6 B5 B4 108.3(4) . . ?
B9 B5 B4 60.0(3) . . ?
B10 B5 B4 107.9(4) . . ?
C2 B6 C1 57.0(2) . . ?
C2 B6 B11 58.8(3) . . ?
C1 B6 B11 104.6(4) . . ?
C2 B6 B5 105.2(4) . . ?
C1 B6 B5 59.1(3) . . ?
B11 B6 B5 108.1(4) . . ?
C2 B6 B10 105.3(4) . . ?
C1 B6 B10 105.6(4) . . ?
B11 B6 B10 59.8(4) . . ?
B5 B6 B10 60.7(3) . . ?
C2 B7 B11 58.9(3) . . ?
C2 B7 B12 105.7(4) . . ?
B11 B7 B12 59.9(4) . . ?
C2 B7 B3 59.5(3) . . ?
B11 B7 B3 108.2(4) . . ?
B12 B7 B3 108.1(4) . . ?
C2 B7 B8 105.1(4) . . ?
B11 B7 B8 107.4(5) . . ?
B12 B7 B8 60.0(4) . . ?
B3 B7 B8 59.5(3) . . ?
B4 B8 B3 60.0(3) . . ?
B4 B8 B9 60.8(3) . . ?
B3 B8 B9 108.8(4) . . ?
B4 B8 B12 109.3(5) . . ?
B3 B8 B12 108.1(4) . . ?
B9 B8 B12 61.0(4) . . ?
B4 B8 B7 108.1(4) . . ?
B3 B8 B7 59.8(3) . . ?
B9 B8 B7 108.5(5) . . ?
B12 B8 B7 59.5(4) . . ?
B8 B9 B5 107.4(4) . . ?
B8 B9 B4 59.3(3) . . ?
B5 B9 B4 60.5(3) . . ?
B8 B9 B10 107.0(5) . . ?
B5 B9 B10 59.8(3) . . ?
B4 B9 B10 107.9(4) . . ?
B8 B9 B12 59.5(4) . . ?
B5 B9 B12 107.0(4) . . ?
B4 B9 B12 107.0(5) . . ?
B10 B9 B12 59.2(4) . . ?
B11 B10 B6 60.0(3) . . ?
B11 B10 B12 59.9(4) . . ?
B6 B10 B12 108.2(4) . . ?
B11 B10 B5 107.4(4) . . ?
B6 B10 B5 59.6(3) . . ?
B12 B10 B5 108.1(4) . . ?
B11 B10 B9 108.3(5) . . ?
B6 B10 B9 108.0(4) . . ?
B12 B10 B9 60.7(4) . . ?
B5 B10 B9 59.8(3) . . ?
C2 B11 B10 106.4(4) . . ?
C2 B11 B6 59.6(3) . . ?
B10 B11 B6 60.2(3) . . ?
C2 B11 B7 59.1(3) . . ?
B10 B11 B7 108.8(5) . . ?
B6 B11 B7 108.9(4) . . ?
C2 B11 B12 106.0(4) . . ?
B10 B11 B12 60.6(4) . . ?
B6 B11 B12 108.9(5) . . ?
B7 B11 B12 60.1(4) . . ?
B11 B12 B7 59.9(4) . . ?
B11 B12 B10 59.5(4) . . ?
B7 B12 B10 107.8(4) . . ?
B11 B12 B8 107.8(4) . . ?
B7 B12 B8 60.5(4) . . ?
B10 B12 B8 107.6(4) . . ?
B11 B12 B9 107.5(4) . . ?
B7 B12 B9 108.0(4) . . ?
B10 B12 B9 60.1(4) . . ?
B8 B12 B9 59.5(4) . . ?
Cl2 C18 Cl1 92.9(10) . . ?
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
Co1 N1 2.010(3) . ?
Co1 C11 2.089(5) . ?
Co1 C8 2.090(5) . ?
Co1 C12 2.093(5) . ?
Co1 C10 2.097(4) . ?
Co1 C9 2.117(4) . ?
Co1 S1 2.2553(17) . ?
Co1 S2 2.2640(17) . ?
S1 C1 1.788(4) . ?
S2 C2 1.778(5) . ?
N1 C7 1.339(5) . ?
N1 C3 1.344(5) . ?
C1 C2 1.656(6) . ?
C1 B5 1.728(7) . ?
C1 B3 1.730(6) . ?
C1 B4 1.730(7) . ?
C1 B6 1.735(6) . ?
C2 B11 1.719(7) . ?
C2 B7 1.721(7) . ?
C2 B6 1.734(7) . ?
C2 B3 1.736(7) . ?
C3 C4 1.390(6) . ?
C4 C5 1.386(6) . ?
C5 C6 1.397(6) . ?
C5 C5 1.484(8) 2_775 ?
C6 C7 1.374(6) . ?
C8 C9 1.437(6) . ?
C8 C12 1.444(6) . ?
C8 C13 1.485(7) . ?
C9 C10 1.419(7) . ?
C9 C14 1.509(6) . ?
C10 C11 1.451(7) . ?
C10 C15 1.491(7) . ?
C11 C12 1.394(7) . ?
C11 C16 1.508(7) . ?
C12 C17 1.502(6) . ?
B3 B4 1.769(8) . ?
B3 B8 1.770(8) . ?
B3 B7 1.776(8) . ?
B4 B8 1.769(8) . ?
B4 B9 1.796(9) . ?
B4 B5 1.807(8) . ?
B5 B6 1.768(8) . ?
B5 B9 1.787(8) . ?
B5 B10 1.788(8) . ?
B6 B11 1.767(8) . ?
B6 B10 1.772(8) . ?
B7 B11 1.771(9) . ?
B7 B12 1.775(10) . ?
B7 B8 1.792(9) . ?
B8 B9 1.781(10) . ?
B8 B12 1.782(10) . ?
B9 B10 1.797(9) . ?
B9 B12 1.808(10) . ?
B10 B11 1.763(9) . ?
B10 B12 1.782(10) . ?
B11 B12 1.771(10) . ?
C18 Cl2 1.708(17) . ?
C18 Cl1 1.750(16) . ?
