#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/10/4031017.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_4031017
loop_
_publ_author_name
'Ma, Longfei'
'Sun, Jibin'
'Lu, Xiaofeng'
'Zhang, Shangxi'
'Qi, Hui'
'Liu, Lei'
'Shao, Yongliang'
'Shao, Xiangfeng'
_publ_section_title
;
 Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure
 diversity and magnetic properties.
;
_journal_name_full               'Beilstein journal of organic chemistry'
_journal_page_first              850
_journal_page_last               859
_journal_paper_doi               10.3762/bjoc.11.95
_journal_volume                  11
_journal_year                    2015
_chemical_formula_moiety         'C42 H36 Br2 Cu O8 S8'
_chemical_formula_sum            'C42 H36 Br2 Cu O8 S8'
_chemical_formula_weight         1148.55
_chemical_name_common            (TTF7)(CUBr2)
_chemical_name_systematic
;
(TTF7)(CuBr2)
;
_chemical_temperature_decomposition 503
_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                107.327(8)
_cell_angle_beta                 93.858(7)
_cell_angle_gamma                115.350(9)
_cell_formula_units_Z            2
_cell_length_a                   12.8898(12)
_cell_length_b                   14.8147(13)
_cell_length_c                   14.8279(13)
_cell_measurement_reflns_used    4913
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.1050
_cell_measurement_theta_min      3.5210
_cell_volume                     2379.7(5)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    Ortep3
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.9982
_diffrn_measured_fraction_theta_max 0.880
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0860
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20047
_diffrn_reflns_theta_full        26.3154
_diffrn_reflns_theta_max         28.59
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    2.538
_exptl_absorpt_correction_T_max  0.78943
_exptl_absorpt_correction_T_min  0.55468
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1158
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.937
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         10692
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.1300
_refine_ls_R_factor_gt           0.0839
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0990P)²+26.0104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2016
_refine_ls_wR_factor_ref         0.2466
_reflns_number_gt                6246
_reflns_number_total             10692
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1860-5397-11-95-S2.cif
_cod_data_source_block           TTF7_complex
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been '503
(decomposed)'. The value '503 (decomposed)' was changed to '503'.

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/Beilstein/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4031010--4031017.cif.
;
_cod_original_cell_volume        2379.7(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4031017
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
C1 C 0.4568(8) 0.5152(7) 0.0072(7) 0.040(2) Uani 1 1 d .
C2 C 0.3507(8) 0.6282(8) 0.0521(8) 0.046(2) Uani 1 1 d .
C3 C 0.2668(7) 0.5285(8) -0.0049(8) 0.042(2) Uani 1 1 d .
C4 C 0.4400(9) 0.8460(8) 0.1006(8) 0.050(2) Uani 1 1 d .
C5 C 0.4822(10) 0.9416(9) 0.1786(8) 0.055(3) Uani 1 1 d .
H5 H 0.4489 0.9456 0.2324 0.066 Uiso 1 1 calc R
C6 C 0.5760(11) 1.0310(9) 0.1736(9) 0.060(3) Uani 1 1 d .
H6 H 0.6041 1.0962 0.2246 0.072 Uiso 1 1 calc R
C7 C 0.6281(10) 1.0270(9) 0.0974(8) 0.053(3) Uani 1 1 d .
C8 C 0.5821(11) 0.9303(10) 0.0182(8) 0.058(3) Uani 1 1 d .
H8 H 0.6157 0.9276 -0.0354 0.070 Uiso 1 1 calc R
C9 C 0.4874(11) 0.8385(10) 0.0181(8) 0.058(3) Uani 1 1 d .
H9 H 0.4564 0.7744 -0.0346 0.069 Uiso 1 1 calc R
C10 C 0.7302(12) 1.1191(10) 0.0913(9) 0.062(3) Uani 1 1 d .
C11 C 0.8638(16) 1.3049(13) 0.1654(13) 0.102(6) Uani 1 1 d .
H11A H 0.9314 1.2926 0.1583 0.122 Uiso 1 1 calc R
H11B H 0.8433 1.3217 0.1106 0.122 Uiso 1 1 calc R
C12 C 0.8920(15) 1.3905(14) 0.2514(14) 0.109(6) Uani 1 1 d .
H12A H 0.9576 1.4536 0.2504 0.164 Uiso 1 1 calc R
H12B H 0.9124 1.3736 0.3055 0.164 Uiso 1 1 calc R
H12C H 0.8253 1.4033 0.2576 0.164 Uiso 1 1 calc R
C13 C 0.0503(8) 0.3596(8) -0.1097(8) 0.044(2) Uani 1 1 d .
C14 C 0.0594(13) 0.3284(11) -0.2047(10) 0.079(4) Uani 1 1 d .
H14 H 0.1059 0.3791 -0.2293 0.095 Uiso 1 1 calc R
C15 C 0.0004(12) 0.2238(11) -0.2619(10) 0.078(4) Uani 1 1 d .
H15 H 0.0084 0.2027 -0.3255 0.094 Uiso 1 1 calc R
C16 C -0.0715(9) 0.1475(9) -0.2277(8) 0.049(2) Uani 1 1 d .
C17 C -0.0784(11) 0.1782(10) -0.1334(9) 0.064(3) Uani 1 1 d .
H17 H -0.1232 0.1271 -0.1085 0.077 Uiso 1 1 calc R
C18 C -0.0185(11) 0.2864(9) -0.0735(9) 0.060(3) Uani 1 1 d .
H18 H -0.0256 0.3079 -0.0096 0.072 Uiso 1 1 calc R
C19 C -0.1385(10) 0.0338(10) -0.2936(9) 0.058(3) Uani 1 1 d .
C20 C -0.2707(13) -0.1430(10) -0.3046(10) 0.077(4) Uani 1 1 d .
H20A H -0.2360 -0.1834 -0.2863 0.093 Uiso 1 1 calc R
H20B H -0.2758 -0.1569 -0.3734 0.093 Uiso 1 1 calc R
C21 C -0.3875(15) -0.1762(12) -0.2848(13) 0.100(5) Uani 1 1 d .
H21A H -0.4365 -0.2513 -0.3212 0.149 Uiso 1 1 calc R
H21B H -0.4214 -0.1361 -0.3032 0.149 Uiso 1 1 calc R
H21C H -0.3819 -0.1632 -0.2168 0.149 Uiso 1 1 calc R
C22 C 0.4420(8) 0.4895(7) 0.5004(7) 0.040(2) Uani 1 1 d .
C23 C 0.2457(8) 0.4954(8) 0.4915(7) 0.043(2) Uani 1 1 d .
C24 C 0.2265(9) 0.4082(9) 0.5135(7) 0.046(2) Uani 1 1 d .
C25 C 0.2122(9) 0.6645(9) 0.4745(8) 0.053(3) Uani 1 1 d .
C26 C 0.2528(13) 0.7493(11) 0.5606(9) 0.072(4) Uani 1 1 d .
H26 H 0.2474 0.7382 0.6190 0.086 Uiso 1 1 calc R
C27 C 0.3020(13) 0.8523(11) 0.5590(9) 0.070(4) Uani 1 1 d .
H27 H 0.3304 0.9107 0.6169 0.084 Uiso 1 1 calc R
C28 C 0.3092(10) 0.8690(10) 0.4728(8) 0.056(3) Uani 1 1 d .
C29 C 0.2670(13) 0.7827(11) 0.3877(9) 0.070(3) Uani 1 1 d .
H29 H 0.2717 0.7937 0.3292 0.084 Uiso 1 1 calc R
C30 C 0.2170(13) 0.6779(11) 0.3875(10) 0.071(3) Uani 1 1 d .
H30 H 0.1878 0.6193 0.3297 0.085 Uiso 1 1 calc R
C31 C 0.3614(11) 0.9793(10) 0.4704(9) 0.058(3) Uani 1 1 d .
C32 C 0.4190(14) 1.1619(10) 0.5600(10) 0.074(4) Uani 1 1 d .
H32A H 0.3601 1.1697 0.5234 0.089 Uiso 1 1 calc R
H32B H 0.4887 1.1827 0.5334 0.089 Uiso 1 1 calc R
C33 C 0.4480(14) 1.2286(12) 0.6619(10) 0.088(5) Uani 1 1 d .
H33A H 0.4788 1.3023 0.6682 0.132 Uiso 1 1 calc R
H33B H 0.5060 1.2200 0.6973 0.132 Uiso 1 1 calc R
H33C H 0.3783 1.2075 0.6872 0.132 Uiso 1 1 calc R
C34 C 0.0238(9) 0.2120(9) 0.4315(8) 0.051(3) Uani 1 1 d .
C35 C 0.0303(10) 0.2173(9) 0.3413(8) 0.056(3) Uani 1 1 d .
H35 H 0.0756 0.2823 0.3342 0.068 Uiso 1 1 calc R
C36 C -0.0326(10) 0.1231(8) 0.2598(8) 0.055(3) Uani 1 1 d .
H36 H -0.0282 0.1257 0.1982 0.066 Uiso 1 1 calc R
C37 C -0.1014(9) 0.0258(9) 0.2695(8) 0.053(3) Uani 1 1 d .
C38 C -0.1062(11) 0.0246(10) 0.3630(10) 0.070(4) Uani 1 1 d .
H38 H -0.1514 -0.0396 0.3714 0.084 Uiso 1 1 calc R
C39 C -0.0450(11) 0.1167(10) 0.4421(9) 0.065(3) Uani 1 1 d .
H39 H -0.0499 0.1149 0.5039 0.078 Uiso 1 1 calc R
C40 C -0.1644(10) -0.0759(10) 0.1852(9) 0.061(3) Uani 1 1 d .
C41 C -0.1915(12) -0.1622(10) 0.0172(9) 0.075(4) Uani 1 1 d .
H41A H -0.2762 -0.1894 0.0015 0.090 Uiso 1 1 calc R
H41B H -0.1757 -0.2171 0.0278 0.090 Uiso 1 1 calc R
C42 C -0.1404(19) -0.1338(14) -0.0615(12) 0.135(9) Uani 1 1 d .
H42A H -0.1741 -0.1962 -0.1200 0.203 Uiso 1 1 calc R
H42B H -0.0567 -0.1069 -0.0450 0.203 Uiso 1 1 calc R
H42C H -0.1570 -0.0797 -0.0714 0.203 Uiso 1 1 calc R
O1 O 0.7807(11) 1.1166(9) 0.0254(8) 0.101(4) Uani 1 1 d .
O2 O 0.7635(8) 1.2076(7) 0.1671(7) 0.076(3) Uani 1 1 d .
O3 O -0.1407(8) 0.0026(8) -0.3800(6) 0.079(3) Uani 1 1 d .
O4 O -0.1987(8) -0.0309(7) -0.2504(6) 0.075(3) Uani 1 1 d .
O5 O 0.3874(9) 0.9990(8) 0.3993(7) 0.080(3) Uani 1 1 d .
O6 O 0.3736(8) 1.0521(7) 0.5550(6) 0.068(2) Uani 1 1 d .
O7 O -0.2329(9) -0.1594(8) 0.1895(7) 0.096(3) Uani 1 1 d .
O8 O -0.1374(7) -0.0653(6) 0.1035(6) 0.068(2) Uani 1 1 d .
S1 S 0.4931(2) 0.6452(2) 0.0775(2) 0.0512(7) Uani 1 1 d .
S2 S 0.3112(2) 0.43189(19) -0.0461(2) 0.0467(6) Uani 1 1 d .
S3 S 0.3181(2) 0.7314(2) 0.1086(2) 0.0579(8) Uani 1 1 d .
S4 S 0.1196(2) 0.4989(2) -0.0327(3) 0.0622(8) Uani 1 1 d .
S5 S 0.3872(2) 0.5703(2) 0.4781(2) 0.0497(6) Uani 1 1 d .
S6 S 0.3447(2) 0.3823(2) 0.5250(2) 0.0517(7) Uani 1 1 d .
S7 S 0.1359(3) 0.5303(3) 0.4743(3) 0.0706(9) Uani 1 1 d .
S8 S 0.0952(3) 0.3294(2) 0.5399(2) 0.0614(8) Uani 1 1 d .
Cu Cu 0.41789(13) 0.42997(10) 0.21938(9) 0.0512(4) Uani 1 1 d .
Br1 Br 0.61238(15) 0.42350(14) 0.22741(12) 0.0902(5) Uani 1 1 d .
Br2 Br 0.22202(17) 0.43441(15) 0.20999(13) 0.0963(6) Uani 1 1 d .
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'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 '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
C1 C1 S2 123.4(10) 2_665
C1 C1 S1 120.5(10) 2_665
S2 C1 S1 116.1(5) .
C3 C2 S1 116.2(7) .
C3 C2 S3 122.7(7) .
S1 C2 S3 120.8(6) .
C2 C3 S2 117.2(7) .
C2 C3 S4 121.1(7) .
S2 C3 S4 121.7(6) .
C5 C4 C9 122.2(11) .
C5 C4 S3 116.8(9) .
C9 C4 S3 121.0(8) .
C4 C5 C6 117.6(10) .
C7 C6 C5 122.5(10) .
C6 C7 C8 118.9(11) .
C6 C7 C10 123.9(11) .
C8 C7 C10 117.1(10) .
C9 C8 C7 121.3(10) .
C8 C9 C4 117.4(10) .
O1 C10 O2 122.3(12) .
O1 C10 C7 125.1(12) .
O2 C10 C7 112.6(11) .
C12 C11 O2 109.6(14) .
C18 C13 C14 120.6(10) .
C18 C13 S4 118.0(8) .
C14 C13 S4 121.3(9) .
C15 C14 C13 119.6(12) .
C14 C15 C16 121.3(12) .
C17 C16 C15 119.0(11) .
C17 C16 C19 121.2(10) .
C15 C16 C19 119.8(11) .
C16 C17 C18 120.3(11) .
C13 C18 C17 119.2(10) .
O3 C19 O4 122.7(11) .
O3 C19 C16 123.9(11) .
O4 C19 C16 113.3(10) .
O4 C20 C21 108.9(12) .
C22 C22 S6 122.1(10) 2_666
C22 C22 S5 122.4(10) 2_666
S6 C22 S5 115.5(5) .
C24 C23 S7 122.3(8) .
C24 C23 S5 116.5(8) .
S7 C23 S5 121.2(6) .
C23 C24 S6 116.6(8) .
C23 C24 S8 123.5(8) .
S6 C24 S8 119.6(6) .
C30 C25 C26 122.2(12) .
C30 C25 S7 118.4(9) .
C26 C25 S7 119.1(10) .
C25 C26 C27 118.6(12) .
C28 C27 C26 120.9(12) .
C29 C28 C27 119.3(12) .
C29 C28 C31 119.6(11) .
C27 C28 C31 121.1(11) .
C28 C29 C30 120.9(12) .
C25 C30 C29 118.2(12) .
O5 C31 O6 124.7(12) .
O5 C31 C28 123.2(11) .
O6 C31 C28 112.1(10) .
O6 C32 C33 107.0(11) .
C35 C34 C39 120.7(11) .
C35 C34 S8 122.0(9) .
C39 C34 S8 117.1(9) .
C34 C35 C36 118.8(11) .
C37 C36 C35 121.1(11) .
C36 C37 C38 118.1(11) .
C36 C37 C40 122.4(11) .
C38 C37 C40 119.5(11) .
C39 C38 C37 120.6(11) .
C38 C39 C34 120.7(11) .
O7 C40 O8 122.9(11) .
O7 C40 C37 124.4(12) .
O8 C40 C37 112.7(10) .
O8 C41 C42 107.1(11) .
C10 O2 C11 116.0(12) .
C19 O4 C20 120.2(10) .
C31 O6 C32 117.0(10) .
C40 O8 C41 116.6(9) .
C1 S1 C2 95.0(5) .
C1 S2 C3 95.5(4) .
C2 S3 C4 102.0(5) .
C3 S4 C13 102.1(4) .
C22 S5 C23 95.4(5) .
C22 S6 C24 96.0(5) .
C23 S7 C25 104.7(5) .
C24 S8 C34 103.4(5) .
Br1 Cu Br2 179.38(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C1 1.377(18) 2_665
C1 S2 1.704(9) .
C1 S1 1.726(9) .
C2 C3 1.353(13) .
C2 S1 1.740(10) .
C2 S3 1.747(10) .
C3 S2 1.726(9) .
C3 S4 1.743(9) .
C4 C5 1.385(14) .
C4 C9 1.399(15) .
C4 S3 1.796(11) .
C5 C6 1.386(15) .
C6 C7 1.352(15) .
C7 C8 1.400(16) .
C7 C10 1.468(17) .
C8 C9 1.384(17) .
C10 O1 1.209(15) .
C10 O2 1.320(15) .
C11 C12 1.40(2) .
C11 O2 1.476(16) .
C13 C18 1.355(15) .
C13 C14 1.375(17) .
C13 S4 1.801(10) .
C14 C15 1.350(19) .
C15 C16 1.378(16) .
C16 C17 1.357(15) .
C16 C19 1.483(16) .
C17 C18 1.397(16) .
C19 O3 1.219(14) .
C19 O4 1.315(14) .
C20 O4 1.432(15) .
C20 C21 1.45(2) .
C22 C22 1.393(18) 2_666
C22 S6 1.712(10) .
C22 S5 1.723(10) .
C23 C24 1.351(14) .
C23 S7 1.728(10) .
C23 S5 1.744(10) .
C24 S6 1.733(11) .
C24 S8 1.746(10) .
C25 C30 1.364(17) .
C25 C26 1.370(16) .
C25 S7 1.801(12) .
C26 C27 1.388(18) .
C27 C28 1.374(16) .
C28 C29 1.369(17) .
C28 C31 1.489(17) .
C29 C30 1.402(18) .
C31 O5 1.207(14) .
C31 O6 1.335(14) .
C32 O6 1.450(15) .
C32 C33 1.454(18) .
C34 C35 1.370(15) .
C34 C39 1.372(15) .
C34 S8 1.794(11) .
C35 C36 1.399(15) .
C36 C37 1.390(15) .
C37 C38 1.397(16) .
C37 C40 1.479(16) .
C38 C39 1.364(17) .
C40 O7 1.197(14) .
C40 O8 1.318(14) .
C41 O8 1.454(14) .
C41 C42 1.46(2) .
Cu Br1 2.546(2) .
Cu Br2 2.549(2) .
