#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:03:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178800 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/54/4105468.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_4105468
loop_
_publ_author_name
'Mikinao Ito'
'Daisuke Hashizume'
'Takeo Fukunaga'
'Tsukasa Matsuo'
'Kohei Tamao'
_publ_section_title
;
 Isolated Monomeric and Dimeric Mixed Diorganocuprates Based on the
 Size-Controllable Bulky "Rind" Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18024
_journal_page_last               18025
_journal_paper_doi               10.1021/ja9071964
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C56 H90 Br2 Cu4'
_chemical_formula_sum            'C56 H90 Br2 Cu4'
_chemical_formula_weight         1177.28
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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
_cell_angle_alpha                106.334(4)
_cell_angle_beta                 92.053(2)
_cell_angle_gamma                108.086(4)
_cell_formula_units_Z            1
_cell_length_a                   10.426(3)
_cell_length_b                   10.580(4)
_cell_length_c                   13.082(4)
_cell_measurement_reflns_used    3251
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.1
_cell_volume                     1304.3(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_av_sigmaI/netI    0.0733
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16070
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.64
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.176
_exptl_absorpt_correction_T_max  0.853
_exptl_absorpt_correction_T_min  0.656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_description       block
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.962
_refine_diff_density_min         -1.331
_refine_diff_density_rms         0.308
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0498
_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)+(0.0648P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1104
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                4611
_reflns_number_total             5936
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ja9071964_si_002_2.cif
_cod_data_source_block           Eind2Cu4Br2
_cod_database_code               4105468
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
Br1 Br 0.25178(5) -0.18976(5) 0.33215(4) 0.01485(14) Uani 1 1 d .
Cu1 Cu 0.68028(6) 0.09156(6) 0.48561(5) 0.01286(15) Uani 1 1 d .
Cu2 Cu 0.47731(6) -0.05255(6) 0.35829(5) 0.01337(16) Uani 1 1 d .
C1 C 0.6640(4) 0.0377(5) 0.3267(3) 0.0093(9) Uani 1 1 d .
C2 C 0.6708(4) 0.1461(5) 0.2810(4) 0.0099(9) Uani 1 1 d .
C3 C 0.7290(4) 0.1512(5) 0.1868(4) 0.0098(9) Uani 1 1 d .
C4 C 0.7855(4) 0.0495(4) 0.1364(4) 0.0097(9) Uani 1 1 d .
H4 H 0.8272 0.0538 0.0735 0.012 Uiso 1 1 calc R
C5 C 0.7796(4) -0.0587(5) 0.1797(4) 0.0104(9) Uani 1 1 d .
C6 C 0.7214(4) -0.0637(4) 0.2735(4) 0.0096(9) Uani 1 1 d .
C7 C 0.6214(4) 0.2708(4) 0.3232(4) 0.0094(9) Uani 1 1 d .
C8 C 0.6782(5) 0.3621(5) 0.2502(4) 0.0116(9) Uani 1 1 d .
H8A H 0.7567 0.4446 0.2910 0.014 Uiso 1 1 calc R
H8B H 0.6071 0.3955 0.2263 0.014 Uiso 1 1 calc R
C9 C 0.7236(4) 0.2745(5) 0.1511(4) 0.0110(9) Uani 1 1 d .
C10 C 0.6751(5) 0.3532(5) 0.4431(4) 0.0123(9) Uani 1 1 d .
H10A H 0.6478 0.4377 0.4616 0.015 Uiso 1 1 calc R
H10B H 0.6291 0.2947 0.4870 0.015 Uiso 1 1 calc R
C11 C 0.8281(5) 0.3987(5) 0.4756(4) 0.0170(10) Uani 1 1 d .
H11A H 0.8574 0.3164 0.4574 0.026 Uiso 1 1 calc R
H11B H 0.8501 0.4461 0.5532 0.026 Uiso 1 1 calc R
H11C H 0.8754 0.4628 0.4370 0.026 Uiso 1 1 calc R
C12 C 0.4632(4) 0.2200(5) 0.3094(4) 0.0118(9) Uani 1 1 d .
H12A H 0.4293 0.1749 0.2318 0.014 Uiso 1 1 calc R
H12B H 0.4317 0.1474 0.3455 0.014 Uiso 1 1 calc R
C13 C 0.3974(5) 0.3310(5) 0.3525(4) 0.0191(11) Uani 1 1 d .
H13A H 0.4192 0.3675 0.4310 0.029 Uiso 1 1 calc R
H13B H 0.2984 0.2895 0.3327 0.029 Uiso 1 1 calc R
H13C H 0.4324 0.4074 0.3216 0.029 Uiso 1 1 calc R
C14 C 0.8600(5) 0.3536(5) 0.1214(4) 0.0169(10) Uani 1 1 d .
H14A H 0.8484 0.4311 0.0981 0.020 Uiso 1 1 calc R
H14B H 0.8820 0.2892 0.0590 0.020 Uiso 1 1 calc R
C15 C 0.9827(5) 0.4148(6) 0.2112(4) 0.0248(12) Uani 1 1 d .
H15A H 0.9712 0.4927 0.2673 0.037 Uiso 1 1 calc R
H15B H 1.0667 0.4483 0.1809 0.037 Uiso 1 1 calc R
H15C H 0.9881 0.3421 0.2423 0.037 Uiso 1 1 calc R
C16 C 0.6114(5) 0.2274(5) 0.0536(4) 0.0144(10) Uani 1 1 d .
H16A H 0.5235 0.1789 0.0743 0.017 Uiso 1 1 calc R
H16B H 0.6034 0.3124 0.0401 0.017 Uiso 1 1 calc R
C17 C 0.6307(5) 0.1326(5) -0.0515(4) 0.0186(11) Uani 1 1 d .
H17A H 0.7093 0.1840 -0.0797 0.028 Uiso 1 1 calc R
H17B H 0.5489 0.1013 -0.1038 0.028 Uiso 1 1 calc R
H17C H 0.6464 0.0512 -0.0390 0.028 Uiso 1 1 calc R
C18 C 0.7385(5) -0.1847(5) 0.3104(4) 0.0098(9) Uani 1 1 d .
C19 C 0.8196(5) -0.2490(5) 0.2258(4) 0.0139(10) Uani 1 1 d .
H19A H 0.7690 -0.3498 0.1917 0.017 Uiso 1 1 calc R
H19B H 0.9090 -0.2394 0.2614 0.017 Uiso 1 1 calc R
C20 C 0.8412(5) -0.1727(5) 0.1382(4) 0.0141(10) Uani 1 1 d .
C21 C 0.8214(5) -0.1278(5) 0.4240(4) 0.0140(10) Uani 1 1 d .
H21A H 0.9027 -0.0478 0.4253 0.017 Uiso 1 1 calc R
H21B H 0.7651 -0.0916 0.4763 0.017 Uiso 1 1 calc R
C22 C 0.8691(5) -0.2324(5) 0.4624(4) 0.0161(10) Uani 1 1 d .
H22A H 0.7904 -0.3146 0.4584 0.024 Uiso 1 1 calc R
H22B H 0.9137 -0.1881 0.5369 0.024 Uiso 1 1 calc R
H22C H 0.9337 -0.2611 0.4165 0.024 Uiso 1 1 calc R
C23 C 0.5996(5) -0.2924(5) 0.3134(4) 0.0138(10) Uani 1 1 d .
H23A H 0.6172 -0.3668 0.3376 0.017 Uiso 1 1 calc R
H23B H 0.5525 -0.2449 0.3681 0.017 Uiso 1 1 calc R
C24 C 0.5030(5) -0.3614(5) 0.2074(4) 0.0181(11) Uani 1 1 d .
H24A H 0.4963 -0.2894 0.1760 0.027 Uiso 1 1 calc R
H24B H 0.4126 -0.4123 0.2210 0.027 Uiso 1 1 calc R
H24C H 0.5382 -0.4267 0.1574 0.027 Uiso 1 1 calc R
C25 C 0.9936(5) -0.1109(5) 0.1292(4) 0.0146(10) Uani 1 1 d .
H25A H 1.0335 -0.1868 0.1151 0.018 Uiso 1 1 calc R
H25B H 1.0021 -0.0750 0.0668 0.018 Uiso 1 1 calc R
C26 C 1.0763(5) 0.0070(5) 0.2291(4) 0.0206(11) Uani 1 1 d .
H26A H 1.0424 0.0859 0.2407 0.031 Uiso 1 1 calc R
H26B H 1.1724 0.0374 0.2188 0.031 Uiso 1 1 calc R
H26C H 1.0670 -0.0267 0.2919 0.031 Uiso 1 1 calc R
C27 C 0.7657(5) -0.2809(5) 0.0284(4) 0.0175(10) Uani 1 1 d .
H27A H 0.8033 -0.3585 0.0134 0.021 Uiso 1 1 calc R
H27B H 0.6687 -0.3203 0.0368 0.021 Uiso 1 1 calc R
C28 C 0.7713(6) -0.2310(5) -0.0695(4) 0.0228(12) Uani 1 1 d .
H28A H 0.7342 -0.1542 -0.0569 0.034 Uiso 1 1 calc R
H28B H 0.7172 -0.3082 -0.1321 0.034 Uiso 1 1 calc R
H28C H 0.8660 -0.1982 -0.0829 0.034 Uiso 1 1 calc R
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'
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
_geom_angle_site_symmetry_3
Cu1 Br1 Cu2 72.09(2) 2_656 .
C1 Cu1 Br1 166.49(13) . 2_656
C1 Cu1 Cu2 52.77(13) . .
Br1 Cu1 Cu2 140.41(3) 2_656 .
C1 Cu1 Cu2 139.33(13) . 2_656
Br1 Cu1 Cu2 53.97(3) 2_656 2_656
Cu2 Cu1 Cu2 86.56(4) . 2_656
C1 Cu2 Br1 160.42(13) . .
C1 Cu2 Cu1 52.08(13) . .
Br1 Cu2 Cu1 147.26(3) . .
C1 Cu2 Cu1 145.52(13) . 2_656
Br1 Cu2 Cu1 53.95(2) . 2_656
Cu1 Cu2 Cu1 93.44(4) . 2_656
C6 C1 C2 116.8(4) . .
C6 C1 Cu1 117.8(3) . .
C2 C1 Cu1 115.9(3) . .
C6 C1 Cu2 111.1(3) . .
C2 C1 Cu2 112.8(3) . .
Cu1 C1 Cu2 75.15(16) . .
C3 C2 C1 121.7(4) . .
C3 C2 C7 110.4(4) . .
C1 C2 C7 127.8(4) . .
C2 C3 C4 120.1(4) . .
C2 C3 C9 113.0(4) . .
C4 C3 C9 126.9(4) . .
C5 C4 C3 119.2(4) . .
C5 C4 H4 120.4 . .
C3 C4 H4 120.4 . .
C6 C5 C4 120.6(4) . .
C6 C5 C20 113.4(4) . .
C4 C5 C20 125.8(4) . .
C5 C6 C1 121.5(4) . .
C5 C6 C18 110.8(4) . .
C1 C6 C18 127.5(4) . .
C2 C7 C8 102.9(4) . .
C2 C7 C10 113.3(4) . .
C8 C7 C10 110.9(3) . .
C2 C7 C12 109.9(4) . .
C8 C7 C12 111.4(4) . .
C10 C7 C12 108.4(4) . .
C7 C8 C9 109.4(4) . .
C7 C8 H8A 109.8 . .
C9 C8 H8A 109.8 . .
C7 C8 H8B 109.8 . .
C9 C8 H8B 109.8 . .
H8A C8 H8B 108.2 . .
C3 C9 C14 112.9(4) . .
C3 C9 C8 101.7(4) . .
C14 C9 C8 113.9(4) . .
C3 C9 C16 111.3(4) . .
C14 C9 C16 108.7(4) . .
C8 C9 C16 108.2(4) . .
C11 C10 C7 116.4(4) . .
C11 C10 H10A 108.2 . .
C7 C10 H10A 108.2 . .
C11 C10 H10B 108.2 . .
C7 C10 H10B 108.2 . .
H10A C10 H10B 107.3 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 C7 116.6(4) . .
C13 C12 H12A 108.2 . .
C7 C12 H12A 108.2 . .
C13 C12 H12B 108.1 . .
C7 C12 H12B 108.2 . .
H12A C12 H12B 107.3 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C9 C14 C15 116.0(4) . .
C9 C14 H14A 108.3 . .
C15 C14 H14A 108.3 . .
C9 C14 H14B 108.3 . .
C15 C14 H14B 108.3 . .
H14A C14 H14B 107.4 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C9 117.3(4) . .
C17 C16 H16A 108.0 . .
C9 C16 H16A 108.0 . .
C17 C16 H16B 108.0 . .
C9 C16 H16B 108.0 . .
H16A C16 H16B 107.2 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C6 C18 C21 110.6(3) . .
C6 C18 C23 112.1(4) . .
C21 C18 C23 108.4(4) . .
C6 C18 C19 103.2(4) . .
C21 C18 C19 110.4(4) . .
C23 C18 C19 112.1(4) . .
C18 C19 C20 109.8(4) . .
C18 C19 H19A 109.7 . .
C20 C19 H19A 109.7 . .
C18 C19 H19B 109.7 . .
C20 C19 H19B 109.7 . .
H19A C19 H19B 108.2 . .
C5 C20 C25 111.4(4) . .
C5 C20 C27 113.6(4) . .
C25 C20 C27 109.5(4) . .
C5 C20 C19 102.6(4) . .
C25 C20 C19 111.4(4) . .
C27 C20 C19 108.1(4) . .
C22 C21 C18 116.2(4) . .
C22 C21 H21A 108.2 . .
C18 C21 H21A 108.2 . .
C22 C21 H21B 108.2 . .
C18 C21 H21B 108.2 . .
H21A C21 H21B 107.4 . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C24 C23 C18 116.1(4) . .
C24 C23 H23A 108.3 . .
C18 C23 H23A 108.3 . .
C24 C23 H23B 108.3 . .
C18 C23 H23B 108.3 . .
H23A C23 H23B 107.4 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C20 114.3(4) . .
C26 C25 H25A 108.7 . .
C20 C25 H25A 108.7 . .
C26 C25 H25B 108.7 . .
C20 C25 H25B 108.7 . .
H25A C25 H25B 107.6 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C28 C27 C20 118.0(4) . .
C28 C27 H27A 107.8 . .
C20 C27 H27A 107.8 . .
C28 C27 H27B 107.8 . .
C20 C27 H27B 107.8 . .
H27A C27 H27B 107.1 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 Cu1 2.3008(10) 2_656
Br1 Cu2 2.3015(10) .
Cu1 C1 1.981(4) .
Cu1 Br1 2.3008(10) 2_656
Cu1 Cu2 2.4274(10) .
Cu1 Cu2 2.7080(10) 2_656
Cu2 C1 2.000(4) .
Cu2 Cu1 2.7080(10) 2_656
C1 C6 1.415(6) .
C1 C2 1.420(6) .
C2 C3 1.400(6) .
C2 C7 1.530(6) .
C3 C4 1.401(6) .
C3 C9 1.520(6) .
C4 C5 1.399(6) .
C4 H4 0.9500 .
C5 C6 1.396(6) .
C5 C20 1.516(6) .
C6 C18 1.544(6) .
C7 C8 1.549(6) .
C7 C10 1.549(6) .
C7 C12 1.554(6) .
C8 C9 1.550(6) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C14 1.536(6) .
C9 C16 1.555(6) .
C10 C11 1.522(6) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.524(6) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 C15 1.545(7) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.519(7) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 C21 1.549(6) .
C18 C23 1.550(6) .
C18 C19 1.550(6) .
C19 C20 1.563(7) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C25 1.542(6) .
C20 C27 1.558(7) .
C21 C22 1.536(6) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C24 1.531(6) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C26 1.530(7) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.513(7) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
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
Cu1 Br1 Cu2 C1 174.8(4) 2_656 .
Cu1 Br1 Cu2 Cu1 5.89(6) 2_656 .
Br1 Cu1 Cu2 C1 175.88(17) 2_656 .
Cu2 Cu1 Cu2 C1 179.93(16) 2_656 .
C1 Cu1 Cu2 Br1 175.31(17) . .
Br1 Cu1 Cu2 Br1 -8.81(9) 2_656 .
Cu2 Cu1 Cu2 Br1 -4.77(5) 2_656 .
C1 Cu1 Cu2 Cu1 -179.93(16) . 2_656
Br1 Cu1 Cu2 Cu1 -4.05(4) 2_656 2_656
Cu2 Cu1 Cu2 Cu1 0.0 2_656 2_656
Br1 Cu1 C1 C6 85.0(7) 2_656 .
Cu2 Cu1 C1 C6 -106.3(4) . .
Cu2 Cu1 C1 C6 -106.4(3) 2_656 .
Br1 Cu1 C1 C2 -60.2(7) 2_656 .
Cu2 Cu1 C1 C2 108.5(4) . .
Cu2 Cu1 C1 C2 108.4(3) 2_656 .
Br1 Cu1 C1 Cu2 -168.7(5) 2_656 .
Cu2 Cu1 C1 Cu2 -0.1(3) 2_656 .
Br1 Cu2 C1 C6 -57.9(6) . .
Cu1 Cu2 C1 C6 114.5(4) . .
Cu1 Cu2 C1 C6 114.6(3) 2_656 .
Br1 Cu2 C1 C2 75.4(5) . .
Cu1 Cu2 C1 C2 -112.2(3) . .
Cu1 Cu2 C1 C2 -112.1(3) 2_656 .
Br1 Cu2 C1 Cu1 -172.4(3) . .
Cu1 Cu2 C1 Cu1 0.1(3) 2_656 .
C6 C1 C2 C3 1.2(6) . .
Cu1 C1 C2 C3 146.7(4) . .
Cu2 C1 C2 C3 -129.3(4) . .
C6 C1 C2 C7 -177.9(4) . .
Cu1 C1 C2 C7 -32.4(6) . .
Cu2 C1 C2 C7 51.6(5) . .
C1 C2 C3 C4 -1.5(6) . .
C7 C2 C3 C4 177.8(4) . .
C1 C2 C3 C9 179.1(4) . .
C7 C2 C3 C9 -1.7(5) . .
C2 C3 C4 C5 1.7(6) . .
C9 C3 C4 C5 -179.0(4) . .
C3 C4 C5 C6 -1.6(6) . .
C3 C4 C5 C20 -177.0(4) . .
C4 C5 C6 C1 1.4(7) . .
C20 C5 C6 C1 177.3(4) . .
C4 C5 C6 C18 -175.0(4) . .
C20 C5 C6 C18 0.9(5) . .
C2 C1 C6 C5 -1.1(6) . .
Cu1 C1 C6 C5 -146.0(4) . .
Cu2 C1 C6 C5 130.2(4) . .
C2 C1 C6 C18 174.6(4) . .
Cu1 C1 C6 C18 29.8(6) . .
Cu2 C1 C6 C18 -54.0(5) . .
C3 C2 C7 C8 -8.2(5) . .
C1 C2 C7 C8 171.0(4) . .
C3 C2 C7 C10 -128.1(4) . .
C1 C2 C7 C10 51.1(6) . .
C3 C2 C7 C12 110.5(4) . .
C1 C2 C7 C12 -70.3(6) . .
C2 C7 C8 C9 14.9(4) . .
C10 C7 C8 C9 136.4(4) . .
C12 C7 C8 C9 -102.8(4) . .
C2 C3 C9 C14 133.1(4) . .
C4 C3 C9 C14 -46.3(6) . .
C2 C3 C9 C8 10.7(5) . .
C4 C3 C9 C8 -168.7(4) . .
C2 C3 C9 C16 -104.3(4) . .
C4 C3 C9 C16 76.3(5) . .
C7 C8 C9 C3 -15.6(4) . .
C7 C8 C9 C14 -137.3(4) . .
C7 C8 C9 C16 101.7(4) . .
C2 C7 C10 C11 51.4(5) . .
C8 C7 C10 C11 -63.8(5) . .
C12 C7 C10 C11 173.7(4) . .
C2 C7 C12 C13 177.2(4) . .
C8 C7 C12 C13 -69.4(5) . .
C10 C7 C12 C13 52.9(5) . .
C3 C9 C14 C15 -58.9(5) . .
C8 C9 C14 C15 56.5(5) . .
C16 C9 C14 C15 177.1(4) . .
C3 C9 C16 C17 -65.6(5) . .
C14 C9 C16 C17 59.3(5) . .
C8 C9 C16 C17 -176.6(4) . .
C5 C6 C18 C21 119.6(4) . .
C1 C6 C18 C21 -56.5(6) . .
C5 C6 C18 C23 -119.4(4) . .
C1 C6 C18 C23 64.5(6) . .
C5 C6 C18 C19 1.5(5) . .
C1 C6 C18 C19 -174.6(4) . .
C6 C18 C19 C20 -3.4(5) . .
C21 C18 C19 C20 -121.5(4) . .
C23 C18 C19 C20 117.5(4) . .
C6 C5 C20 C25 -122.2(4) . .
C4 C5 C20 C25 53.5(6) . .
C6 C5 C20 C27 113.5(5) . .
C4 C5 C20 C27 -70.8(6) . .
C6 C5 C20 C19 -2.9(5) . .
C4 C5 C20 C19 172.8(4) . .
C18 C19 C20 C5 3.8(5) . .
C18 C19 C20 C25 123.1(4) . .
C18 C19 C20 C27 -116.5(4) . .
C6 C18 C21 C22 -169.0(4) . .
C23 C18 C21 C22 67.7(5) . .
C19 C18 C21 C22 -55.4(5) . .
C6 C18 C23 C24 58.1(5) . .
C21 C18 C23 C24 -179.6(4) . .
C19 C18 C23 C24 -57.5(5) . .
C5 C20 C25 C26 48.0(6) . .
C27 C20 C25 C26 174.6(4) . .
C19 C20 C25 C26 -65.9(5) . .
C5 C20 C27 C28 66.5(6) . .
C25 C20 C27 C28 -58.8(6) . .
C19 C20 C27 C28 179.7(4) . .
