#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/08/4080808.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_4080808
loop_
_publ_author_name
'Benjamin, Sophie L.'
'Levason, William'
'Reid, Gillian'
_publ_section_title
;
 Synthesis and Reactions of a Hybrid Tristibine Ligand
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2760
_journal_paper_doi               10.1021/om400205d
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety
'C54 H72 Br2 Cu3 N2 Sb6 1+, B F4 1-, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C55.5 H75 B Br2 Cl3 Cu3 F4 N2 Sb6'
_chemical_formula_weight         2044.27
_chemical_name_systematic
; 
 di(mu₂-bromo)bis(N,N,N-tris[2-(dimethylstibanyl)benzyl]azane)-
 tricopper(I) tetrafluoroborate dichloromethane solvate
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-05-20
_audit_creation_method           'SHELXL-97 + hand edit'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.656(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.636(8)
_cell_length_b                   12.192(6)
_cell_length_c                   18.546(9)
_cell_measurement_reflns_used    1844
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      8.4
_cell_volume                     3639(3)
_computing_cell_refinement
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_data_reduction
'CrystalClear-SM Expert 2.0 r7 (Rigaku, 2011)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'Four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 '
_diffrn_measurement_method       'Profile data from ω-scans'
_diffrn_radiation_collimation    'Confocal mirrors, VHF VariMax '
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_sigmaI/netI    0.0722
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23331
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_diffrn_source                   'Rotating anode X-ray tube'
_diffrn_source_type              'Rigaku FR-E+ Superbright'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.299
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 Jacobson, R. (1998). REQAB. Private communication to the 
 Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1954
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         5.731
_refine_diff_density_min         -2.770
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         8252
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0648
_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)+(0.0879P)²+38.2224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1637
_refine_ls_wR_factor_ref         0.1784
_reflns_number_gt                6488
_reflns_number_total             8252
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om400205d_si_001.cif
_cod_data_source_block           12slbr192x
_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 2.3.1 from 2005-06-27.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C55.50 H75 B Br2 Cl3 Cu3 F4 N2 Sb6'
_cod_database_code               4080808
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Sb1 Sb 0.33127(4) 0.37182(5) 0.35515(3) 0.02618(15) Uani 1 1 d . . .
Sb2 Sb 0.35349(4) 0.36453(5) 0.58056(3) 0.02781(16) Uani 1 1 d . . .
Sb3 Sb 0.18947(3) 0.57424(5) 0.44764(3) 0.02465(15) Uani 1 1 d . . .
Br1 Br 0.42590(5) 0.65783(7) 0.47733(5) 0.0314(2) Uani 1 1 d . . .
Cu1 Cu 0.33318(6) 0.49052(8) 0.46839(5) 0.0240(2) Uani 1 1 d . . .
Cu2 Cu 0.5000 0.5000 0.5000 0.0305(3) Uani 1 2 d S . .
N1 N 0.1690(4) 0.2803(6) 0.4358(4) 0.0260(14) Uani 1 1 d . . .
C1 C 0.2424(6) 0.3821(8) 0.2479(5) 0.034(2) Uani 1 1 d . . .
H1A H 0.2379 0.4584 0.2307 0.051 Uiso 1 1 calc R . .
H1B H 0.1881 0.3566 0.2525 0.051 Uiso 1 1 calc R . .
H1C H 0.2610 0.3360 0.2119 0.051 Uiso 1 1 calc R . .
C2 C 0.4371(6) 0.3707(8) 0.3092(5) 0.036(2) Uani 1 1 d . . .
H2A H 0.4479 0.4454 0.2944 0.054 Uiso 1 1 calc R . .
H2B H 0.4262 0.3226 0.2654 0.054 Uiso 1 1 calc R . .
H2C H 0.4857 0.3438 0.3466 0.054 Uiso 1 1 calc R . .
C3 C 0.3964(6) 0.1977(7) 0.5878(5) 0.0329(19) Uani 1 1 d . . .
H3A H 0.4498 0.1943 0.5746 0.049 Uiso 1 1 calc R . .
H3B H 0.3557 0.1520 0.5532 0.049 Uiso 1 1 calc R . .
H3C H 0.4033 0.1708 0.6388 0.049 Uiso 1 1 calc R . .
C4 C 0.4288(6) 0.4104(8) 0.6880(5) 0.035(2) Uani 1 1 d . . .
H4A H 0.4862 0.4216 0.6850 0.053 Uiso 1 1 calc R . .
H4B H 0.4273 0.3520 0.7239 0.053 Uiso 1 1 calc R . .
H4C H 0.4074 0.4785 0.7042 0.053 Uiso 1 1 calc R . .
C5 C 0.1055(6) 0.5826(8) 0.5194(5) 0.034(2) Uani 1 1 d . . .
H5A H 0.1010 0.5100 0.5407 0.050 Uiso 1 1 calc R . .
H5B H 0.0506 0.6065 0.4904 0.050 Uiso 1 1 calc R . .
H5C H 0.1269 0.6352 0.5597 0.050 Uiso 1 1 calc R . .
C6 C 0.1797(7) 0.7439(7) 0.4164(6) 0.038(2) Uani 1 1 d . . .
H6A H 0.2151 0.7878 0.4563 0.057 Uiso 1 1 calc R . .
H6B H 0.1219 0.7678 0.4082 0.057 Uiso 1 1 calc R . .
H6C H 0.1978 0.7536 0.3705 0.057 Uiso 1 1 calc R . .
C7 C 0.3289(5) 0.1993(7) 0.3790(4) 0.0269(17) Uani 1 1 d . . .
C8 C 0.4043(6) 0.1428(7) 0.3905(5) 0.0305(18) Uani 1 1 d . . .
H8 H 0.4530 0.1800 0.3860 0.037 Uiso 1 1 calc R . .
C9 C 0.4077(6) 0.0299(8) 0.4086(6) 0.038(2) Uani 1 1 d . . .
H9 H 0.4586 -0.0088 0.4155 0.046 Uiso 1 1 calc R . .
C10 C 0.3377(6) -0.0242(8) 0.4165(6) 0.039(2) Uani 1 1 d . . .
H10 H 0.3402 -0.0997 0.4295 0.047 Uiso 1 1 calc R . .
C11 C 0.2624(6) 0.0339(8) 0.4050(5) 0.037(2) Uani 1 1 d . . .
H11 H 0.2138 -0.0033 0.4095 0.044 Uiso 1 1 calc R . .
C12 C 0.2580(5) 0.1457(7) 0.3869(5) 0.0285(17) Uani 1 1 d . . .
C13 C 0.1749(5) 0.2026(7) 0.3752(5) 0.0302(18) Uani 1 1 d . . .
H13A H 0.1636 0.2434 0.3276 0.036 Uiso 1 1 calc R . .
H13B H 0.1312 0.1462 0.3706 0.036 Uiso 1 1 calc R . .
C14 C 0.2386(5) 0.3491(8) 0.6116(5) 0.0295(18) Uani 1 1 d . . .
C15 C 0.2288(6) 0.4089(8) 0.6722(5) 0.035(2) Uani 1 1 d . . .
H15 H 0.2735 0.4528 0.6992 0.042 Uiso 1 1 calc R . .
C16 C 0.1547(6) 0.4062(9) 0.6948(5) 0.039(2) Uani 1 1 d . . .
H16 H 0.1489 0.4491 0.7360 0.047 Uiso 1 1 calc R . .
C17 C 0.0900(6) 0.3408(9) 0.6568(5) 0.037(2) Uani 1 1 d . . .
H17 H 0.0393 0.3389 0.6715 0.044 Uiso 1 1 calc R . .
C18 C 0.0994(5) 0.2779(8) 0.5970(5) 0.033(2) Uani 1 1 d . . .
H18 H 0.0558 0.2303 0.5725 0.039 Uiso 1 1 calc R . .
C19 C 0.1722(6) 0.2837(7) 0.5723(5) 0.0302(18) Uani 1 1 d . . .
C20 C 0.1772(5) 0.2150(7) 0.5052(5) 0.0296(18) Uani 1 1 d . . .
H20A H 0.2311 0.1760 0.5167 0.036 Uiso 1 1 calc R . .
H20B H 0.1326 0.1591 0.4962 0.036 Uiso 1 1 calc R . .
C21 C 0.1060(5) 0.5077(7) 0.3490(4) 0.0279(17) Uani 1 1 d . . .
C22 C 0.0914(6) 0.5704(8) 0.2831(5) 0.0325(19) Uani 1 1 d . . .
H22 H 0.1183 0.6394 0.2839 0.039 Uiso 1 1 calc R . .
C23 C 0.0387(6) 0.5337(9) 0.2170(5) 0.039(2) Uani 1 1 d . . .
H23 H 0.0292 0.5773 0.1732 0.046 Uiso 1 1 calc R . .
C24 C 0.0004(6) 0.4334(9) 0.2158(5) 0.043(3) Uani 1 1 d . . .
H24 H -0.0371 0.4083 0.1713 0.052 Uiso 1 1 calc R . .
C25 C 0.0167(6) 0.3676(8) 0.2807(5) 0.037(2) Uani 1 1 d . . .
H25 H -0.0080 0.2970 0.2791 0.044 Uiso 1 1 calc R . .
C26 C 0.0693(5) 0.4061(8) 0.3477(4) 0.0292(18) Uani 1 1 d . . .
C27 C 0.0850(5) 0.3320(7) 0.4163(5) 0.0284(17) Uani 1 1 d . . .
H27A H 0.0784 0.3759 0.4594 0.034 Uiso 1 1 calc R . .
H27B H 0.0425 0.2734 0.4074 0.034 Uiso 1 1 calc R . .
Cl1 Cl 0.3190(3) 0.7861(6) 0.1285(3) 0.0869(18) Uani 0.75 1 d P . .
Cl2 Cl 0.3170(3) 0.6928(4) 0.2730(2) 0.0601(10) Uani 0.75 1 d P . .
C28 C 0.2561(14) 0.722(2) 0.1785(10) 0.086(6) Uani 0.75 1 d P . .
H28A H 0.2338 0.6522 0.1535 0.103 Uiso 0.75 1 calc PR . .
H28B H 0.2086 0.7696 0.1801 0.103 Uiso 0.75 1 calc PR . .
B1 B 0.0759(9) 0.5523(13) 0.0292(7) 0.033(4) Uani 0.50 1 d PDU A -1
F1 F 0.1520(7) 0.5273(9) 0.0743(6) 0.042(3) Uani 0.50 1 d PDU A -1
F2 F 0.0585(9) 0.6563(10) 0.0484(8) 0.058(3) Uiso 0.50 1 d PDU A -1
F3 F 0.0163(9) 0.4792(11) 0.0429(7) 0.061(4) Uani 0.50 1 d PDU A -1
F4 F 0.0719(9) 0.5439(13) -0.0465(6) 0.062(4) Uani 0.50 1 d PDU A -1
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
Br Br -0.2901 2.4595 '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
C2 Sb1 C7 97.8(3) . .
C2 Sb1 C1 94.2(4) . .
C7 Sb1 C1 101.7(3) . .
C2 Sb1 Cu1 119.5(3) . .
C7 Sb1 Cu1 112.5(2) . .
C1 Sb1 Cu1 126.1(3) . .
C14 Sb2 C4 97.2(4) . .
C14 Sb2 C3 101.9(4) . .
C4 Sb2 C3 94.7(4) . .
C14 Sb2 Cu1 109.3(2) . .
C4 Sb2 Cu1 122.0(3) . .
C3 Sb2 Cu1 126.7(2) . .
C6 Sb3 C21 98.4(4) . .
C6 Sb3 C5 96.0(4) . .
C21 Sb3 C5 99.4(3) . .
C6 Sb3 Cu1 115.7(3) . .
C21 Sb3 Cu1 110.9(2) . .
C5 Sb3 Cu1 131.0(3) . .
Cu2 Br1 Cu1 67.84(5) . .
Br1 Cu1 Sb3 102.73(6) . .
Br1 Cu1 Sb2 118.70(5) . .
Sb3 Cu1 Sb2 107.01(4) . .
Br1 Cu1 Sb1 113.06(5) . .
Sb3 Cu1 Sb1 106.80(4) . .
Sb2 Cu1 Sb1 107.67(6) . .
Br1 Cu1 Cu2 51.29(3) . .
Sb3 Cu1 Cu2 153.66(5) . .
Sb2 Cu1 Cu2 86.06(3) . .
Sb1 Cu1 Cu2 90.06(3) . .
Br1 Cu2 Br1 180.0 3_666 .
Br1 Cu2 Cu1 119.13(4) 3_666 .
Br1 Cu2 Cu1 60.87(4) . .
Br1 Cu2 Cu1 60.87(4) 3_666 3_666
Br1 Cu2 Cu1 119.13(4) . 3_666
Cu1 Cu2 Cu1 180.00(4) . 3_666
C27 N1 C20 108.0(6) . .
C27 N1 C13 108.8(6) . .
C20 N1 C13 107.6(7) . .
Sb1 C1 H1A 109.5 . .
Sb1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Sb1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Sb1 C2 H2A 109.5 . .
Sb1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Sb1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Sb2 C3 H3A 109.5 . .
Sb2 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Sb2 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
Sb2 C4 H4A 109.5 . .
Sb2 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
Sb2 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
Sb3 C5 H5A 109.5 . .
Sb3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Sb3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
Sb3 C6 H6A 109.5 . .
Sb3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
Sb3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C12 C7 C8 120.3(8) . .
C12 C7 Sb1 122.8(6) . .
C8 C7 Sb1 116.7(6) . .
C7 C8 C9 119.7(8) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C10 C9 C8 120.5(9) . .
C10 C9 H9 119.8 . .
C8 C9 H9 119.8 . .
C9 C10 C11 119.1(9) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
C12 C11 C10 121.1(9) . .
C12 C11 H11 119.4 . .
C10 C11 H11 119.4 . .
C7 C12 C11 119.3(8) . .
C7 C12 C13 122.6(8) . .
C11 C12 C13 118.1(8) . .
N1 C13 C12 114.6(7) . .
N1 C13 H13A 108.6 . .
C12 C13 H13A 108.6 . .
N1 C13 H13B 108.6 . .
C12 C13 H13B 108.6 . .
H13A C13 H13B 107.6 . .
C15 C14 C19 118.7(8) . .
C15 C14 Sb2 118.0(7) . .
C19 C14 Sb2 123.3(6) . .
C14 C15 C16 121.7(9) . .
C14 C15 H15 119.2 . .
C16 C15 H15 119.2 . .
C17 C16 C15 119.5(9) . .
C17 C16 H16 120.3 . .
C15 C16 H16 120.3 . .
C16 C17 C18 119.8(9) . .
C16 C17 H17 120.1 . .
C18 C17 H17 120.1 . .
C17 C18 C19 120.9(9) . .
C17 C18 H18 119.5 . .
C19 C18 H18 119.5 . .
C18 C19 C14 119.3(8) . .
C18 C19 C20 118.1(8) . .
C14 C19 C20 122.5(8) . .
N1 C20 C19 113.7(7) . .
N1 C20 H20A 108.8 . .
C19 C20 H20A 108.8 . .
N1 C20 H20B 108.8 . .
C19 C20 H20B 108.8 . .
H20A C20 H20B 107.7 . .
C26 C21 C22 119.6(8) . .
C26 C21 Sb3 122.7(6) . .
C22 C21 Sb3 117.7(7) . .
C23 C22 C21 121.5(9) . .
C23 C22 H22 119.3 . .
C21 C22 H22 119.3 . .
C24 C23 C22 119.2(9) . .
C24 C23 H23 120.4 . .
C22 C23 H23 120.4 . .
C23 C24 C25 120.1(9) . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C26 C25 C24 120.3(9) . .
C26 C25 H25 119.8 . .
C24 C25 H25 119.8 . .
C21 C26 C25 119.3(8) . .
C21 C26 C27 122.3(7) . .
C25 C26 C27 118.4(8) . .
N1 C27 C26 113.8(7) . .
N1 C27 H27A 108.8 . .
C26 C27 H27A 108.8 . .
N1 C27 H27B 108.8 . .
C26 C27 H27B 108.8 . .
H27A C27 H27B 107.7 . .
Cl1 C28 Cl2 109.5(12) . .
Cl1 C28 H28A 109.8 . .
Cl2 C28 H28A 109.8 . .
Cl1 C28 H28B 109.8 . .
Cl2 C28 H28B 109.8 . .
H28A C28 H28B 108.2 . .
F1 B1 F2 105.8(13) . .
F1 B1 F4 113.8(13) . .
F2 B1 F4 111.8(13) . .
F1 B1 F3 109.7(13) . .
F2 B1 F3 109.6(13) . .
F4 B1 F3 106.2(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 C2 2.142(9) .
Sb1 C7 2.152(9) .
Sb1 C1 2.160(8) .
Sb1 Cu1 2.5440(14) .
Sb2 C14 2.140(8) .
Sb2 C4 2.142(9) .
Sb2 C3 2.148(9) .
Sb2 Cu1 2.5388(14) .
Sb3 C6 2.143(9) .
Sb3 C21 2.156(8) .
Sb3 C5 2.162(8) .
Sb3 Cu1 2.5378(16) .
Br1 Cu2 2.2665(13) .
Br1 Cu1 2.5373(16) .
Cu1 Cu2 2.6900(17) .
Cu2 Br1 2.2665(13) 3_666
Cu2 Cu1 2.6900(17) 3_666
N1 C27 1.491(10) .
N1 C20 1.490(11) .
N1 C13 1.491(11) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C12 1.387(12) .
C7 C8 1.400(12) .
C8 C9 1.414(13) .
C8 H8 0.9500 .
C9 C10 1.378(14) .
C9 H9 0.9500 .
C10 C11 1.407(13) .
C10 H10 0.9500 .
C11 C12 1.401(13) .
C11 H11 0.9500 .
C12 C13 1.513(12) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.384(12) .
C14 C19 1.407(12) .
C15 C16 1.399(13) .
C15 H15 0.9500 .
C16 C17 1.380(15) .
C16 H16 0.9500 .
C17 C18 1.390(13) .
C17 H17 0.9500 .
C18 C19 1.401(12) .
C18 H18 0.9500 .
C19 C20 1.519(13) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C26 1.379(13) .
C21 C22 1.409(12) .
C22 C23 1.388(12) .
C22 H22 0.9500 .
C23 C24 1.377(16) .
C23 H23 0.9500 .
C24 C25 1.415(14) .
C24 H24 0.9500 .
C25 C26 1.407(11) .
C25 H25 0.9500 .
C26 C27 1.528(12) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
Cl1 C28 1.75(2) .
Cl2 C28 1.822(19) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
B1 F1 1.362(14) .
B1 F2 1.368(15) .
B1 F4 1.392(14) .
B1 F3 1.403(16) .
