#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:17:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179370 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/67/4326763.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_4326763
loop_
_publ_author_name
'Christoph E. Strasser'
'Vincent J. Catalano'
_publ_section_title
;
 Luminescent Copper(I) Halide Adducts of [Au(im(CH2py)2)2]PF6 Exhibiting
 Short Au(I)...Cu(I) Separations and Unusual Semibridging NHC Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11228
_journal_page_last               11234
_journal_paper_doi               10.1021/ic201795b
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C30 H28 Au Br2 Cu2 N8, Br, 3(C2 H3 N)'
_chemical_formula_sum            'C37 H40 Au Br3 Cu2 N11'
_chemical_formula_weight         1202.58
_chemical_name_common            '[Au(im(CH₂py)₂)₂(Cu₂Br₂]Br'
_chemical_name_systematic
;
catena-poly-{μ₃-η³-bis{1,3-bis[(2-pyridyl-1\kN)methyl]-1H-
imidazol-2-ylidene-2\kC}bis(μ-bromo-1κ²)di-copper(I) gold(I)}bromide
 ethanenitrile trisolvate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-06-06
_audit_creation_method
;
  Olex2 1.1
  (compiled Feb 15 2011 20:38:53, GUI svn.r3494)
;
_audit_update_record
;
2011-08-17 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.978(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.4834(2)
_cell_length_b                   11.9438(2)
_cell_length_c                   23.3998(5)
_cell_measurement_reflns_used    6171
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.02
_cell_measurement_theta_min      2.44
_cell_volume                     2088.66(8)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'SAINT v7.68A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
Diamond V3.2a - Crystal and Molecular Structure Visualization
Crystal Impact - K. Brandenburg & H. Putz GbR, Rathausgasse 30, D-53111 Bonn
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0420
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            19780
_diffrn_reflns_theta_full        27.12
_diffrn_reflns_theta_max         27.12
_diffrn_reflns_theta_min         1.70
_diffrn_source                   'sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.424
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.4793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS-2008/1 (Bruker,2008) was used for absorption correction.
 R(int) was 0.1197 before and 0.0493 after correction.
 The Ratio of minimum to maximum transmission is 0.642924211938.
 The λ/2 correction factor is 0.0015
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.912
_exptl_crystal_description       needle
_exptl_crystal_F_000             1162
_exptl_crystal_preparation       'Mounted on a glass fiber in Paratone oil'
_exptl_crystal_recrystallization_method 'From acetonitrile by slow cooling'
_exptl_crystal_size_max          0.124
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.056
_refine_diff_density_max         4.337
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         4619
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0367
_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)+(0.0404P)²+10.4378P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0922
_reflns_number_gt                3972
_reflns_number_total             4619
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic201795b_si_002_4.cif
_cod_data_source_block           ces396b
_cod_database_code               4326763
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y, 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
Au1 Au 0.7500 0.71586(2) 0.2500 0.01274(9) Uani 1 2 d S
N1 N 0.8807(6) 0.6151(4) 0.14238(19) 0.0155(10) Uani 1 1 d .
C1 C 0.8445(8) 0.7099(4) 0.1717(2) 0.0145(11) Uani 1 1 d .
N2 N 0.8910(6) 0.7932(4) 0.13614(19) 0.0146(9) Uani 1 1 d .
C20 C 0.8696(7) 0.9115(4) 0.1501(2) 0.0134(11) Uani 1 1 d .
H20A H 0.9467 0.9571 0.1260 0.016 Uiso 1 1 calc R
H20B H 0.9092 0.9241 0.1906 0.016 Uiso 1 1 calc R
C3 C 0.9524(8) 0.7514(5) 0.0859(2) 0.0182(12) Uani 1 1 d .
H3 H 0.9922 0.7938 0.0546 0.022 Uiso 1 1 calc R
C2 C 0.9454(8) 0.6393(5) 0.0896(2) 0.0180(12) Uani 1 1 d .
H2 H 0.9784 0.5870 0.0614 0.022 Uiso 1 1 calc R
C10 C 0.8443(8) 0.5029(4) 0.1639(2) 0.0162(11) Uani 1 1 d .
H10A H 0.8713 0.5013 0.2058 0.019 Uiso 1 1 calc R
H10B H 0.9246 0.4487 0.1461 0.019 Uiso 1 1 calc R
Cu1 Cu 0.7500 0.31489(8) 0.2500 0.0158(2) Uani 1 2 d S
Cu2 Cu 0.7500 1.07001(8) 0.2500 0.0159(2) Uani 1 2 d S
N10 N 0.5910(6) 0.3903(4) 0.18732(19) 0.0156(9) Uani 1 1 d .
C11 C 0.6524(8) 0.4671(4) 0.1516(2) 0.0159(11) Uani 1 1 d .
N11 N 0.6062(6) 1.0078(4) 0.1823(2) 0.0151(10) Uani 1 1 d .
C15 C 0.4219(8) 0.3521(5) 0.1771(3) 0.0192(12) Uani 1 1 d .
H15 H 0.3753 0.3001 0.2032 0.023 Uiso 1 1 calc R
C21 C 0.6769(7) 0.9495(4) 0.1406(2) 0.0141(11) Uani 1 1 d .
C23 C 0.4132(8) 0.9668(6) 0.0800(3) 0.0275(14) Uani 1 1 d .
H23 H 0.3481 0.9527 0.0448 0.033 Uiso 1 1 calc R
C22 C 0.5845(8) 0.9272(5) 0.0893(3) 0.0239(13) Uani 1 1 d .
H22 H 0.6390 0.8847 0.0607 0.029 Uiso 1 1 calc R
C12 C 0.5483(8) 0.5074(5) 0.1050(3) 0.0217(13) Uani 1 1 d .
H12 H 0.5941 0.5635 0.0809 0.026 Uiso 1 1 calc R
C25 C 0.4359(8) 1.0455(5) 0.1731(2) 0.0183(12) Uani 1 1 d .
H25 H 0.3827 1.0860 0.2027 0.022 Uiso 1 1 calc R
Br2 Br 0.0000 1.0000 0.0000 0.01928(18) Uani 1 2 d S
Br1 Br 0.96349(7) 0.19673(4) 0.19548(2) 0.01525(13) Uani 1 1 d .
C14 C 0.3149(8) 0.3851(5) 0.1307(3) 0.0241(13) Uani 1 1 d .
H14 H 0.1992 0.3537 0.1238 0.029 Uiso 1 1 calc R
C24 C 0.3374(8) 1.0278(5) 0.1228(3) 0.0239(13) Uani 1 1 d .
H24 H 0.2194 1.0567 0.1176 0.029 Uiso 1 1 calc R
C13 C 0.3789(8) 0.4653(5) 0.0940(3) 0.0272(14) Uani 1 1 d .
H13 H 0.3071 0.4907 0.0619 0.033 Uiso 1 1 calc R
C6 C 0.8070(10) 0.3052(5) 0.0458(3) 0.0258(14) Uani 1 1 d .
C7 C 0.6879(9) 0.2127(5) 0.0598(3) 0.0286(14) Uani 1 1 d .
H7A H 0.7396 0.1417 0.0476 0.043 Uiso 1 1 calc R
H7B H 0.5707 0.2236 0.0398 0.043 Uiso 1 1 calc R
H7C H 0.6737 0.2110 0.1011 0.043 Uiso 1 1 calc R
N4 N 0.9038(9) 0.3746(5) 0.0354(2) 0.0401(16) Uani 1 1 d .
C4 C 1.2500 0.6663(18) 0.2500 0.112(8) Uani 1 2 d S
C5 C 1.275(4) 0.788(2) 0.230(2) 0.15(3) Uani 0.50 1 d P
H5A H 1.1627 0.8150 0.2113 0.230 Uiso 0.50 1 calc PR
H5B H 1.3699 0.7907 0.2027 0.230 Uiso 0.50 1 calc PR
H5C H 1.3075 0.8354 0.2630 0.230 Uiso 0.50 1 calc PR
N3 N 1.2500 0.5767(12) 0.2500 0.091(5) Uani 1 2 d S
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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 '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
C1 Au1 C1 175.9(3) . 2_655
C1 N1 C2 111.4(4) . .
C1 N1 C10 123.0(5) . .
C2 N1 C10 125.5(4) . .
N1 C1 Au1 125.5(4) . .
N2 C1 Au1 130.6(4) . .
N2 C1 N1 103.8(5) . .
C1 N2 C20 122.6(5) . .
C1 N2 C3 111.4(4) . .
C3 N2 C20 125.9(5) . .
N2 C20 H20A 109.3 . .
N2 C20 H20B 109.3 . .
N2 C20 C21 111.8(4) . .
H20A C20 H20B 107.9 . .
C21 C20 H20A 109.3 . .
C21 C20 H20B 109.3 . .
N2 C3 H3 126.6 . .
C2 C3 N2 106.9(5) . .
C2 C3 H3 126.6 . .
N1 C2 H2 126.8 . .
C3 C2 N1 106.4(5) . .
C3 C2 H2 126.8 . .
N1 C10 H10A 109.1 . .
N1 C10 H10B 109.1 . .
N1 C10 C11 112.7(5) . .
H10A C10 H10B 107.8 . .
C11 C10 H10A 109.1 . .
C11 C10 H10B 109.1 . .
N10 Cu1 Cu2 116.09(13) . 1_545
N10 Cu1 Cu2 116.09(13) 2_655 1_545
N10 Cu1 N10 127.8(3) 2_655 .
N10 Cu1 Br1 104.07(13) . .
N10 Cu1 Br1 104.37(13) . 2_655
N10 Cu1 Br1 104.07(13) 2_655 2_655
N10 Cu1 Br1 104.37(13) 2_655 .
Br1 Cu1 Cu2 56.04(2) . 1_545
Br1 Cu1 Cu2 56.04(2) 2_655 1_545
Br1 Cu1 Br1 112.09(4) 2_655 .
N11 Cu2 Cu1 111.69(13) . 1_565
N11 Cu2 Cu1 111.69(13) 2_655 1_565
N11 Cu2 N11 136.6(3) . 2_655
N11 Cu2 Br1 98.46(13) . 1_565
N11 Cu2 Br1 106.60(13) 2_655 1_565
N11 Cu2 Br1 98.46(13) 2_655 2_665
N11 Cu2 Br1 106.60(13) . 2_665
Br1 Cu2 Cu1 54.16(2) 2_665 1_565
Br1 Cu2 Cu1 54.16(2) 1_565 1_565
Br1 Cu2 Br1 108.32(4) 1_565 2_665
C11 N10 Cu1 122.9(4) . .
C11 N10 C15 118.0(5) . .
C15 N10 Cu1 118.7(4) . .
N10 C11 C10 115.4(5) . .
N10 C11 C12 122.0(5) . .
C12 C11 C10 122.6(5) . .
C21 N11 Cu2 123.6(4) . .
C21 N11 C25 117.5(5) . .
C25 N11 Cu2 117.6(4) . .
N10 C15 H15 118.5 . .
N10 C15 C14 122.9(5) . .
C14 C15 H15 118.5 . .
N11 C21 C20 117.4(5) . .
N11 C21 C22 122.6(5) . .
C22 C21 C20 120.0(5) . .
C22 C23 H23 120.7 . .
C22 C23 C24 118.7(6) . .
C24 C23 H23 120.7 . .
C21 C22 H22 120.2 . .
C23 C22 C21 119.6(6) . .
C23 C22 H22 120.2 . .
C11 C12 H12 120.2 . .
C13 C12 C11 119.6(6) . .
C13 C12 H12 120.2 . .
N11 C25 H25 118.5 . .
N11 C25 C24 122.9(5) . .
C24 C25 H25 118.5 . .
Cu1 Br1 Cu2 69.79(3) . 1_545
C15 C14 H14 120.6 . .
C15 C14 C13 118.8(6) . .
C13 C14 H14 120.6 . .
C23 C24 H24 120.7 . .
C25 C24 C23 118.7(6) . .
C25 C24 H24 120.7 . .
C12 C13 C14 118.7(6) . .
C12 C13 H13 120.7 . .
C14 C13 H13 120.7 . .
N4 C6 C7 177.8(8) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C4 C4 C5 0(10) 2_755 .
C4 C4 C5 0(10) 2_755 2_755
C4 C4 N3 0(10) 2_755 .
C5 C4 C5 39(3) 2_755 .
N3 C4 C5 160.5(17) . .
N3 C4 C5 160.5(17) . 2_755
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5B 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C4 N3 C4 0.000(5) 2_755 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.000(5) 2_655
Au1 C1 2.000(5) .
N1 C1 1.358(7) .
N1 C2 1.381(7) .
N1 C10 1.463(7) .
C1 N2 1.353(7) .
N2 C20 1.461(6) .
N2 C3 1.378(7) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C20 C21 1.517(7) .
C3 H3 0.9500 .
C3 C2 1.343(8) .
C2 H2 0.9500 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C10 C11 1.511(8) .
Cu1 Cu2 2.9248(14) 1_545
Cu1 N10 2.049(5) .
Cu1 N10 2.049(5) 2_655
Cu1 Br1 2.5266(7) .
Cu1 Br1 2.5266(7) 2_655
Cu2 Cu1 2.9248(14) 1_565
Cu2 N11 2.010(5) 2_655
Cu2 N11 2.010(5) .
Cu2 Br1 2.5851(8) 2_665
Cu2 Br1 2.5851(8) 1_565
N10 C11 1.338(7) .
N10 C15 1.355(7) .
C11 C12 1.393(8) .
N11 C21 1.332(7) .
N11 C25 1.358(7) .
C15 H15 0.9500 .
C15 C14 1.374(8) .
C21 C22 1.379(8) .
C23 H23 0.9500 .
C23 C22 1.373(8) .
C23 C24 1.385(9) .
C22 H22 0.9500 .
C12 H12 0.9500 .
C12 C13 1.376(9) .
C25 H25 0.9500 .
C25 C24 1.372(8) .
Br1 Cu2 2.5851(8) 1_545
C14 H14 0.9500 .
C14 C13 1.388(9) .
C24 H24 0.9500 .
C13 H13 0.9500 .
C6 C7 1.467(9) .
C6 N4 1.135(8) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C4 C4 0.00(4) 2_755
C4 C5 1.54(3) .
C4 C5 1.54(3) 2_755
C4 N3 1.07(2) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
N3 C4 1.07(2) 2_755
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Au1 C1 N2 C20 -3.1(8) . .
Au1 C1 N2 C3 179.2(4) . .
N1 C1 N2 C20 178.4(5) . .
N1 C1 N2 C3 0.7(6) . .
N1 C10 C11 N10 -154.8(5) . .
N1 C10 C11 C12 27.9(7) . .
C1 Au1 C1 N1 -0.3(5) 2_655 .
C1 Au1 C1 N2 -178.6(5) 2_655 .
C1 N1 C2 C3 0.9(7) . .
C1 N1 C10 C11 83.3(6) . .
C1 N2 C20 C21 -78.0(6) . .
C1 N2 C3 C2 -0.2(7) . .
N2 C20 C21 N11 132.0(5) . .
N2 C20 C21 C22 -50.6(7) . .
N2 C3 C2 N1 -0.4(6) . .
C20 N2 C3 C2 -177.8(5) . .
C20 C21 C22 C23 -176.7(6) . .
C3 N2 C20 C21 99.4(6) . .
C2 N1 C1 Au1 -179.6(4) . .
C2 N1 C1 N2 -0.9(6) . .
C2 N1 C10 C11 -93.0(6) . .
C10 N1 C1 Au1 3.7(8) . .
C10 N1 C1 N2 -177.7(5) . .
C10 N1 C2 C3 177.5(5) . .
C10 C11 C12 C13 175.4(5) . .
Cu1 Cu2 N11 C21 114.3(4) 1_565 .
Cu1 Cu2 N11 C25 -52.4(4) 1_565 .
Cu1 N10 C11 C10 -5.4(6) . .
Cu1 N10 C11 C12 172.0(4) . .
Cu1 N10 C15 C14 -169.8(5) . .
Cu2 Cu1 N10 C11 -126.3(4) 1_545 .
Cu2 Cu1 N10 C15 45.9(4) 1_545 .
Cu2 N11 C21 C20 10.9(7) . .
Cu2 N11 C21 C22 -166.4(4) . .
Cu2 N11 C25 C24 166.3(5) . .
N10 Cu1 N10 C11 53.7(4) 2_655 .
N10 Cu1 N10 C15 -134.1(4) 2_655 .
N10 Cu1 Br1 Cu2 112.01(13) 2_655 1_545
N10 Cu1 Br1 Cu2 -112.20(13) . 1_545
N10 C11 C12 C13 -1.8(9) . .
N10 C15 C14 C13 -3.2(9) . .
C11 N10 C15 C14 2.8(8) . .
C11 C12 C13 C14 1.3(9) . .
N11 Cu2 N11 C21 -65.7(4) 2_655 .
N11 Cu2 N11 C25 127.6(4) 2_655 .
N11 C21 C22 C23 0.6(9) . .
N11 C25 C24 C23 1.3(9) . .
C15 N10 C11 C10 -177.6(5) . .
C15 N10 C11 C12 -0.3(8) . .
C15 C14 C13 C12 1.0(9) . .
C21 N11 C25 C24 -1.2(8) . .
C22 C23 C24 C25 -0.4(10) . .
C25 N11 C21 C20 177.6(5) . .
C25 N11 C21 C22 0.3(8) . .
Br1 Cu1 N10 C11 174.8(4) 2_655 .
Br1 Cu1 N10 C11 -67.6(4) . .
Br1 Cu1 N10 C15 104.6(4) . .
Br1 Cu1 N10 C15 -13.0(4) 2_655 .
Br1 Cu1 Br1 Cu2 0.0 2_655 1_545
Br1 Cu2 N11 C21 59.6(4) 1_565 .
Br1 Cu2 N11 C21 171.7(4) 2_665 .
Br1 Cu2 N11 C25 -107.1(4) 1_565 .
Br1 Cu2 N11 C25 5.0(4) 2_665 .
C24 C23 C22 C21 -0.5(10) . .
C5 C4 N3 C4 0(100) 2_755 2_755
C5 C4 N3 C4 0(100) . 2_755
