#------------------------------------------------------------------------------
#$Date: 2019-11-28 18:46:45 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244330 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/87/7238754.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_7238754
loop_
_publ_author_name
'Washizaki, T.'
'Ishikawa, R.'
'Yoneda, K.'
'Kitagawa, S.'
'Kaizaki, S.'
'Fuyuhiro, A.'
'Kawata, S.'
_publ_section_title
;
 Reversible solid-state hydration and dehydration process involving anion
 transfer in a self-assembled Cu2 system
;
_journal_issue                   32
_journal_name_full               'RSC Advances'
_journal_page_first              12169
_journal_paper_doi               10.1039/c2ra21865h
_journal_volume                  2
_journal_year                    2012
_chemical_formula_moiety         'C26 H22 Br2 Cu2 N8 O2 '
_chemical_formula_sum            'C26 H22 Br2 Cu2 N8 O2'
_chemical_formula_weight         765.41
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.82(6)
_cell_angle_beta                 86.94(6)
_cell_angle_gamma                85.43(8)
_cell_formula_units_Z            2
_cell_length_a                   10.17(5)
_cell_length_b                   11.52(6)
_cell_length_c                   11.77(5)
_cell_measurement_reflns_used    123
_cell_measurement_temperature    200.1
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      12.6
_cell_volume                     1343(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      323
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.179
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12759
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    4.612
_exptl_absorpt_correction_T_max  0.871
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             756.00
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.43
_refine_diff_density_min         -1.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_number_parameters     326
_refine_ls_number_reflns         6073
_refine_ls_R_factor_gt           0.1718
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.4726
_reflns_number_gt                2096
_reflns_number_total             6073
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c2ra21865h.txt
_cod_data_source_block           '_Cu2(bpypz)2Br2(H2O)2'
_cod_original_cell_volume        1342(11)
_cod_original_formula_sum        'C26 H22 Br2 Cu2 N8 O2 '
_cod_database_code               7238754
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Br(1) Br 0.5813(2) 0.1509(2) 0.1459(2) 0.0534(7) Uani 1.00 1 d .
Br(2) Br 0.9454(2) 0.3481(2) 0.3432(2) 0.0722(9) Uani 1.00 1 d .
Cu(1) Cu 0.8081(2) 0.0639(2) 0.0690(2) 0.0479(8) Uani 1.00 1 d .
Cu(2) Cu 1.0841(2) 0.2111(2) 0.2151(2) 0.0503(8) Uani 1.00 1 d .
O(1) O 0.613(2) 0.337(2) 0.324(2) 0.112(9) Uiso 0.75 1 d P
O(2) O 0.444(2) 0.430(2) 0.433(2) 0.102(8) Uiso 0.75 1 d P
O(3) O 0.164(3) 0.479(3) 0.466(3) 0.095(11) Uiso 0.50 1 d P
N(1) N 0.7509(15) -0.1038(14) 0.1202(16) 0.048(4) Uani 1.00 1 d .
N(2) N 0.9133(15) 0.0101(14) 0.2102(15) 0.044(4) Uani 1.00 1 d .
N(3) N 1.0062(17) 0.0565(14) 0.2527(14) 0.048(4) Uani 1.00 1 d .
N(4) N 1.1900(18) 0.1244(17) 0.3561(17) 0.060(4) Uiso 1.00 1 d .
N(5) N 0.7559(16) 0.1199(18) -0.1014(16) 0.058(5) Uani 1.00 1 d .
N(6) N 0.9114(16) 0.1992(16) 0.0194(15) 0.050(4) Uani 1.00 1 d .
N(7) N 1.0022(16) 0.2486(16) 0.0640(13) 0.046(4) Uani 1.00 1 d .
N(8) N 1.1947(17) 0.3497(18) 0.1290(15) 0.058(5) Uani 1.00 1 d .
C(1) C 0.6549(16) -0.1576(17) 0.081(2) 0.068(8) Uani 1.00 1 d .
C(2) C 0.619(2) -0.274(2) 0.132(2) 0.054(5) Uiso 1.00 1 d .
C(3) C 0.667(2) -0.332(2) 0.237(2) 0.064(6) Uani 1.00 1 d .
C(4) C 0.770(2) -0.279(2) 0.289(2) 0.058(6) Uani 1.00 1 d .
C(5) C 0.8008(19) -0.1670(17) 0.226(2) 0.048(5) Uani 1.00 1 d .
C(6) C 0.9002(18) -0.1005(19) 0.2694(19) 0.049(5) Uani 1.00 1 d .
C(7) C 0.990(2) -0.133(2) 0.360(2) 0.063(6) Uani 1.00 1 d .
C(8) C 1.049(2) -0.0201(18) 0.345(2) 0.059(6) Uani 1.00 1 d .
C(9) C 1.157(2) 0.0148(18) 0.4101(19) 0.046(5) Uani 1.00 1 d .
C(10) C 1.2134(18) -0.0518(17) 0.5032(18) 0.040(4) Uiso 1.00 1 d .
C(11) C 1.311(2) -0.014(2) 0.553(2) 0.073(7) Uiso 1.00 1 d .
C(12) C 1.348(2) 0.103(2) 0.503(2) 0.074(8) Uani 1.00 1 d .
C(13) C 1.285(2) 0.171(2) 0.413(2) 0.076(7) Uiso 1.00 1 d .
C(14) C 0.656(2) 0.074(2) -0.159(2) 0.064(6) Uiso 1.00 1 d .
C(15) C 0.620(2) 0.141(3) -0.277(2) 0.097(12) Uani 1.00 1 d .
C(16) C 0.668(2) 0.231(2) -0.328(2) 0.069(7) Uani 1.00 1 d .
C(17) C 0.767(2) 0.285(2) -0.274(2) 0.077(9) Uani 1.00 1 d .
C(18) C 0.799(2) 0.224(2) -0.160(2) 0.051(5) Uani 1.00 1 d .
C(19) C 0.8972(18) 0.2652(18) -0.091(2) 0.047(5) Uani 1.00 1 d .
C(20) C 0.986(2) 0.3540(19) -0.117(2) 0.059(6) Uani 1.00 1 d .
C(21) C 1.047(2) 0.340(2) -0.014(2) 0.058(6) Uani 1.00 1 d .
C(22) C 1.159(2) 0.401(2) 0.026(2) 0.054(5) Uani 1.00 1 d .
C(23) C 1.209(2) 0.496(2) -0.049(2) 0.063(6) Uani 1.00 1 d .
C(24) C 1.313(2) 0.549(2) -0.005(2) 0.071(8) Uani 1.00 1 d .
C(25) C 1.354(2) 0.494(3) 0.112(2) 0.083(9) Uani 1.00 1 d .
C(26) C 1.281(3) 0.404(2) 0.182(2) 0.089(9) Uani 1.00 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.320 1.265
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Br Br -0.290 2.459
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, 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_publ_flag
Br(1) Cu(1) N(1) 90.9(4) yes
Br(1) Cu(1) N(2) 104.5(4) yes
Br(1) Cu(1) N(5) 91.9(5) yes
Br(1) Cu(1) N(6) 104.8(5) yes
N(1) Cu(1) N(2) 80.4(7) yes
N(1) Cu(1) N(5) 106.0(8) yes
N(1) Cu(1) N(6) 163.5(6) yes
N(2) Cu(1) N(5) 162.4(6) yes
N(2) Cu(1) N(6) 90.7(7) yes
N(5) Cu(1) N(6) 78.7(7) yes
Br(2) Cu(2) N(3) 105.9(5) yes
Br(2) Cu(2) N(4) 91.6(5) yes
Br(2) Cu(2) N(7) 105.1(5) yes
Br(2) Cu(2) N(8) 93.0(5) yes
N(3) Cu(2) N(4) 78.4(7) yes
N(3) Cu(2) N(7) 90.6(7) yes
N(3) Cu(2) N(8) 160.4(7) yes
N(4) Cu(2) N(7) 162.1(8) yes
N(4) Cu(2) N(8) 106.4(7) yes
N(7) Cu(2) N(8) 79.6(7) yes
Cu(1) N(1) C(1) 130.4(14) yes
Cu(1) N(1) C(5) 115.0(14) yes
C(1) N(1) C(5) 113.4(17) yes
Cu(1) N(2) N(3) 132.8(12) yes
Cu(1) N(2) C(6) 116.8(15) yes
N(3) N(2) C(6) 109.9(16) yes
Cu(2) N(3) N(2) 134.6(12) yes
Cu(2) N(3) C(8) 117.1(15) yes
N(2) N(3) C(8) 108.2(16) yes
Cu(2) N(4) C(9) 118.1(15) yes
Cu(2) N(4) C(13) 127.4(15) yes
C(9) N(4) C(13) 114.0(19) yes
Cu(1) N(5) C(14) 127.1(14) yes
Cu(1) N(5) C(18) 117.4(16) yes
C(14) N(5) C(18) 114.2(18) yes
Cu(1) N(6) N(7) 136.3(13) yes
Cu(1) N(6) C(19) 118.4(15) yes
N(7) N(6) C(19) 105.3(16) yes
Cu(2) N(7) N(6) 132.8(12) yes
Cu(2) N(7) C(21) 116.7(15) yes
N(6) N(7) C(21) 110.4(16) yes
Cu(2) N(8) C(22) 116.2(16) yes
Cu(2) N(8) C(26) 124.3(15) yes
C(22) N(8) C(26) 118(2) yes
N(1) C(1) C(2) 124(2) yes
C(1) C(2) C(3) 120(2) yes
C(2) C(3) C(4) 120(2) yes
C(3) C(4) C(5) 113(2) yes
N(1) C(5) C(4) 129(2) yes
N(1) C(5) C(6) 111.7(16) yes
C(4) C(5) C(6) 119.8(19) yes
N(2) C(6) C(5) 115.5(18) yes
N(2) C(6) C(7) 112(2) yes
C(5) C(6) C(7) 133(2) yes
C(6) C(7) C(8) 98.1(19) yes
N(3) C(8) C(7) 112(2) yes
N(3) C(8) C(9) 117.9(18) yes
C(7) C(8) C(9) 129.9(19) yes
N(4) C(9) C(8) 108.4(17) yes
N(4) C(9) C(10) 126(2) yes
C(8) C(9) C(10) 125.9(19) yes
C(9) C(10) C(11) 121(2) yes
C(10) C(11) C(12) 116(2) yes
C(11) C(12) C(13) 122(2) yes
N(4) C(13) C(12) 120(2) yes
N(5) C(14) C(15) 117(2) yes
C(14) C(15) C(16) 125(3) yes
C(15) C(16) C(17) 121(2) yes
C(16) C(17) C(18) 115(2) yes
N(5) C(18) C(17) 128(2) yes
N(5) C(18) C(19) 109.7(18) yes
C(17) C(18) C(19) 122(2) yes
N(6) C(19) C(18) 115.0(17) yes
N(6) C(19) C(20) 112(2) yes
C(18) C(19) C(20) 133(2) yes
C(19) C(20) C(21) 102(2) yes
N(7) C(21) C(20) 111(2) yes
N(7) C(21) C(22) 115.1(19) yes
C(20) C(21) C(22) 134(2) yes
N(8) C(22) C(21) 112.2(19) yes
N(8) C(22) C(23) 130(2) yes
C(21) C(22) C(23) 118(2) yes
C(22) C(23) C(24) 115(2) yes
C(23) C(24) C(25) 116(2) yes
C(24) C(25) C(26) 120(2) yes
N(8) C(26) C(25) 118(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Br(1) Cu(1) 2.633(3) yes
Br(2) Cu(2) 2.679(4) yes
Cu(1) N(1) 2.020(16) yes
Cu(1) N(2) 1.985(17) yes
Cu(1) N(5) 2.057(18) yes
Cu(1) N(6) 1.920(18) yes
Cu(2) N(3) 1.962(16) yes
Cu(2) N(4) 2.056(19) yes
Cu(2) N(7) 1.954(15) yes
Cu(2) N(8) 2.078(19) yes
N(1) C(1) 1.35(2) yes
N(1) C(5) 1.40(2) yes
N(2) N(3) 1.29(2) yes
N(2) C(6) 1.33(2) yes
N(3) C(8) 1.32(2) yes
N(4) C(9) 1.35(2) yes
N(4) C(13) 1.41(3) yes
N(5) C(14) 1.44(3) yes
N(5) C(18) 1.34(2) yes
N(6) N(7) 1.31(2) yes
N(6) C(19) 1.36(2) yes
N(7) C(21) 1.34(2) yes
N(8) C(22) 1.29(2) yes
N(8) C(26) 1.36(4) yes
C(1) C(2) 1.42(2) yes
C(2) C(3) 1.37(3) yes
C(3) C(4) 1.46(3) yes
C(4) C(5) 1.40(2) yes
C(5) C(6) 1.49(3) yes
C(6) C(7) 1.41(3) yes
C(7) C(8) 1.45(3) yes
C(8) C(9) 1.50(3) yes
C(9) C(10) 1.33(2) yes
C(10) C(11) 1.33(3) yes
C(11) C(12) 1.42(3) yes
C(12) C(13) 1.34(3) yes
C(14) C(15) 1.48(3) yes
C(15) C(16) 1.21(4) yes
C(16) C(17) 1.46(4) yes
C(17) C(18) 1.41(3) yes
C(18) C(19) 1.49(3) yes
C(19) C(20) 1.39(3) yes
C(20) C(21) 1.36(3) yes
C(21) C(22) 1.53(3) yes
C(22) C(23) 1.37(3) yes
C(23) C(24) 1.44(4) yes
C(24) C(25) 1.45(3) yes
C(25) C(26) 1.41(4) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Br(1) O(1) 3.34(3) .
Br(2) O(1) 3.42(2) .
Br(2) O(3) 3.34(4) 1_655
Br(2) O(3) 3.39(4) 2_666
O(1) Br(1) 3.34(3) .
O(1) Br(2) 3.42(2) .
O(1) O(2) 2.41(4) .
O(2) O(1) 2.41(4) .
O(2) O(2) 2.82(4) 2_666
O(2) O(3) 2.88(4) .
O(2) C(13) 3.56(4) 1_455
O(2) C(26) 3.54(4) 1_455
O(3) Br(2) 3.34(4) 1_455
O(3) Br(2) 3.39(4) 2_666
O(3) O(2) 2.88(4) .
O(3) O(3) 3.41(5) 2_566
O(3) C(4) 3.35(4) 2_656
O(3) C(17) 3.24(4) 2_665
N(2) C(11) 3.51(3) 2_756
N(3) C(10) 3.54(2) 2_756
N(6) C(24) 3.53(2) 2_765
N(7) C(23) 3.48(3) 2_765
C(1) C(14) 3.36(3) 2_655
C(1) C(15) 3.54(3) 2_655
C(2) C(14) 3.52(3) 2_655
C(2) C(15) 3.35(3) 2_655
C(2) C(22) 3.30(3) 2_755
C(2) C(23) 3.27(3) 2_755
C(3) C(15) 3.58(4) 2_655
C(3) C(23) 3.34(3) 2_755
C(4) O(3) 3.35(4) 2_656
C(4) C(20) 3.30(3) 2_755
C(5) C(19) 3.59(2) 2_755
C(5) C(20) 3.33(3) 2_755
C(6) C(10) 3.59(3) 2_756
C(6) C(11) 3.30(3) 2_756
C(6) C(12) 3.58(3) 2_756
C(6) C(18) 3.56(3) 2_755
C(6) C(19) 3.59(3) 2_755
C(7) C(9) 3.49(3) 2_756
C(7) C(10) 3.43(3) 2_756
C(7) C(11) 3.58(3) 2_756
C(7) C(16) 3.60(3) 2_755
C(7) C(17) 3.17(3) 2_755
C(7) C(18) 3.38(3) 2_755
C(8) C(9) 3.48(3) 2_756
C(8) C(10) 3.28(3) 2_756
C(9) C(7) 3.49(3) 2_756
C(9) C(8) 3.48(3) 2_756
C(9) C(15) 3.32(4) 2_755
C(9) C(16) 3.51(3) 2_755
C(10) N(3) 3.54(2) 2_756
C(10) C(6) 3.59(3) 2_756
C(10) C(7) 3.43(3) 2_756
C(10) C(8) 3.28(3) 2_756
C(10) C(15) 3.38(3) 2_755
C(10) C(16) 3.33(3) 2_755
C(11) N(2) 3.51(3) 2_756
C(11) C(6) 3.30(3) 2_756
C(11) C(7) 3.58(3) 2_756
C(12) C(6) 3.58(3) 2_756
C(13) O(2) 3.56(4) 1_655
C(14) C(1) 3.36(3) 2_655
C(14) C(2) 3.52(3) 2_655
C(15) C(1) 3.54(3) 2_655
C(15) C(2) 3.35(3) 2_655
C(15) C(3) 3.58(4) 2_655
C(15) C(9) 3.32(4) 2_755
C(15) C(10) 3.38(3) 2_755
C(16) C(7) 3.60(3) 2_755
C(16) C(9) 3.51(3) 2_755
C(16) C(10) 3.33(3) 2_755
C(17) O(3) 3.24(4) 2_665
C(17) C(7) 3.17(3) 2_755
C(17) C(25) 3.59(4) 2_765
C(18) C(6) 3.56(3) 2_755
C(18) C(7) 3.38(3) 2_755
C(19) C(5) 3.59(2) 2_755
C(19) C(6) 3.59(3) 2_755
C(19) C(23) 3.56(3) 2_765
C(19) C(24) 3.23(3) 2_765
C(19) C(25) 3.60(3) 2_765
C(20) C(4) 3.30(3) 2_755
C(20) C(5) 3.33(3) 2_755
C(20) C(22) 3.42(3) 2_765
C(20) C(23) 3.34(3) 2_765
C(20) C(24) 3.50(3) 2_765
C(21) C(22) 3.48(3) 2_765
C(21) C(23) 3.23(3) 2_765
C(22) C(2) 3.30(3) 2_755
C(22) C(20) 3.42(3) 2_765
C(22) C(21) 3.48(3) 2_765
C(23) N(7) 3.48(3) 2_765
C(23) C(2) 3.27(3) 2_755
C(23) C(3) 3.34(3) 2_755
C(23) C(19) 3.56(3) 2_765
C(23) C(20) 3.34(3) 2_765
C(23) C(21) 3.23(3) 2_765
C(24) N(6) 3.53(2) 2_765
C(24) C(19) 3.23(3) 2_765
C(24) C(20) 3.50(3) 2_765
C(24) C(25) 3.59(3) 2_865
C(25) C(17) 3.59(4) 2_765
C(25) C(19) 3.60(3) 2_765
C(25) C(24) 3.59(3) 2_865
C(26) O(2) 3.54(4) 1_655
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
Br(1) Cu(1) N(1) C(1) 66(2)
Br(1) Cu(1) N(1) C(5) -100.1(13)
Br(1) Cu(1) N(2) N(3) -100.5(17)
Br(1) Cu(1) N(2) C(6) 88.2(14)
Br(1) Cu(1) N(5) C(14) -68.8(18)
Br(1) Cu(1) N(5) C(18) 97.0(15)
Br(1) Cu(1) N(6) N(7) 97(2)
Br(1) Cu(1) N(6) C(19) -85.5(15)
N(1) Cu(1) N(2) N(3) 171.0(19)
N(1) Cu(1) N(2) C(6) -0.2(11)
N(2) Cu(1) N(1) C(1) 171(2)
N(2) Cu(1) N(1) C(5) 4.4(14)
N(1) Cu(1) N(5) C(14) 23(2)
N(1) Cu(1) N(5) C(18) -171.5(15)
N(5) Cu(1) N(1) C(1) -26(2)
N(5) Cu(1) N(1) C(5) 167.6(13)
N(1) Cu(1) N(6) N(7) -65(4)
N(1) Cu(1) N(6) C(19) 112(2)
N(6) Cu(1) N(1) C(1) -131(2)
N(6) Cu(1) N(1) C(5) 63(3)
N(2) Cu(1) N(5) C(14) 132(2)
N(2) Cu(1) N(5) C(18) -62(3)
N(5) Cu(1) N(2) N(3) 58(3)
N(5) Cu(1) N(2) C(6) -114(2)
N(2) Cu(1) N(6) N(7) -8(2)
N(2) Cu(1) N(6) C(19) 169.3(15)
N(6) Cu(1) N(2) N(3) 5.0(19)
N(6) Cu(1) N(2) C(6) -166.2(15)
N(5) Cu(1) N(6) N(7) -174(2)
N(5) Cu(1) N(6) C(19) 3.5(15)
N(6) Cu(1) N(5) C(14) -174(2)
N(6) Cu(1) N(5) C(18) -7.8(15)
Br(2) Cu(2) N(3) N(2) 90.8(19)
Br(2) Cu(2) N(3) C(8) -85.0(16)
Br(2) Cu(2) N(4) C(9) 102.4(16)
Br(2) Cu(2) N(4) C(13) -69(2)
Br(2) Cu(2) N(7) N(6) -94.9(18)
Br(2) Cu(2) N(7) C(21) 87.4(15)
Br(2) Cu(2) N(8) C(22) -100.5(17)
Br(2) Cu(2) N(8) C(26) 65(2)
N(3) Cu(2) N(4) C(9) -3.6(16)
N(3) Cu(2) N(4) C(13) -175(2)
N(4) Cu(2) N(3) N(2) 179.1(18)
N(4) Cu(2) N(3) C(8) 3.4(16)
N(3) Cu(2) N(7) N(6) 11.8(19)
N(3) Cu(2) N(7) C(21) -165.9(16)
N(7) Cu(2) N(3) N(2) -15.1(19)
N(7) Cu(2) N(3) C(8) 169.1(16)
N(3) Cu(2) N(8) C(22) 65(2)
N(3) Cu(2) N(8) C(26) -129(2)
N(8) Cu(2) N(3) N(2) -74(2)
N(8) Cu(2) N(3) C(8) 110(2)
N(4) Cu(2) N(7) N(6) 64(3)
N(4) Cu(2) N(7) C(21) -114(2)
N(7) Cu(2) N(4) C(9) -57(3)
N(7) Cu(2) N(4) C(13) 131(2)
N(4) Cu(2) N(8) C(22) 167.0(17)
N(4) Cu(2) N(8) C(26) -27(2)
N(8) Cu(2) N(4) C(9) -164.0(16)
N(8) Cu(2) N(4) C(13) 24(2)
N(7) Cu(2) N(8) C(22) 4.3(17)
N(7) Cu(2) N(8) C(26) 170(2)
N(8) Cu(2) N(7) N(6) 174.8(19)
N(8) Cu(2) N(7) C(21) -2.9(16)
Cu(1) N(1) C(1) C(2) -174.9(17)
Cu(1) N(1) C(5) C(4) 173.3(18)
Cu(1) N(1) C(5) C(6) -7(2)
C(1) N(1) C(5) C(4) 5(3)
C(1) N(1) C(5) C(6) -176.1(18)
C(5) N(1) C(1) C(2) -8(3)
Cu(1) N(2) N(3) Cu(2) 8(3)
Cu(1) N(2) N(3) C(8) -175.9(16)
Cu(1) N(2) C(6) C(5) -4(2)
Cu(1) N(2) C(6) C(7) 173.8(14)
N(3) N(2) C(6) C(5) -177.0(17)
N(3) N(2) C(6) C(7) 1(2)
C(6) N(2) N(3) Cu(2) 179.7(11)
C(6) N(2) N(3) C(8) -4(2)
Cu(2) N(3) C(8) C(7) -176.9(15)
Cu(2) N(3) C(8) C(9) -3(2)
N(2) N(3) C(8) C(7) 6(2)
N(2) N(3) C(8) C(9) -179.7(13)
Cu(2) N(4) C(9) C(8) 3(2)
Cu(2) N(4) C(9) C(10) -178.6(18)
Cu(2) N(4) C(13) C(12) -178.5(19)
C(9) N(4) C(13) C(12) 10(3)
C(13) N(4) C(9) C(8) 176(2)
C(13) N(4) C(9) C(10) -6(3)
Cu(1) N(5) C(14) C(15) 170.2(19)
Cu(1) N(5) C(18) C(17) -174.2(19)
Cu(1) N(5) C(18) C(19) 10(2)
C(14) N(5) C(18) C(17) -7(3)
C(14) N(5) C(18) C(19) 177.3(18)
C(18) N(5) C(14) C(15) 4(3)
Cu(1) N(6) N(7) Cu(2) -1(3)
Cu(1) N(6) N(7) C(21) 176.4(17)
Cu(1) N(6) C(19) C(18) 0.7(19)
Cu(1) N(6) C(19) C(20) -175.1(15)
N(7) N(6) C(19) C(18) 178.9(17)
N(7) N(6) C(19) C(20) 3(2)
C(19) N(6) N(7) Cu(2) -179.2(15)
C(19) N(6) N(7) C(21) -1(2)
Cu(2) N(7) C(21) C(20) 177.4(15)
Cu(2) N(7) C(21) C(22) 1(2)
N(6) N(7) C(21) C(20) -1(2)
N(6) N(7) C(21) C(22) -176.7(18)
Cu(2) N(8) C(22) C(21) -5(2)
Cu(2) N(8) C(22) C(23) 178(2)
Cu(2) N(8) C(26) C(25) 178(2)
C(22) N(8) C(26) C(25) -17(3)
C(26) N(8) C(22) C(21) -171(2)
C(26) N(8) C(22) C(23) 11(4)
N(1) C(1) C(2) C(3) 11(3)
C(1) C(2) C(3) C(4) -9(3)
C(2) C(3) C(4) C(5) 5(3)
C(3) C(4) C(5) N(1) -3(3)
C(3) C(4) C(5) C(6) 178(2)
N(1) C(5) C(6) N(2) 7(2)
N(1) C(5) C(6) C(7) -170(2)
C(4) C(5) C(6) N(2) -173(2)
C(4) C(5) C(6) C(7) 10(3)
N(2) C(6) C(7) C(8) 3(2)
C(5) C(6) C(7) C(8) 180(2)
C(6) C(7) C(8) N(3) -5(2)
C(6) C(7) C(8) C(9) -179(2)
N(3) C(8) C(9) N(4) -0(2)
N(3) C(8) C(9) C(10) -179(2)
C(7) C(8) C(9) N(4) 173(2)
C(7) C(8) C(9) C(10) -6(4)
N(4) C(9) C(10) C(11) 0(2)
C(8) C(9) C(10) C(11) 179(2)
C(9) C(10) C(11) C(12) 1(3)
C(10) C(11) C(12) C(13) 3(4)
C(11) C(12) C(13) N(4) -8(4)
N(5) C(14) C(15) C(16) -0(4)
C(14) C(15) C(16) C(17) -2(4)
C(15) C(16) C(17) C(18) -0(3)
C(16) C(17) C(18) N(5) 5(3)
C(16) C(17) C(18) C(19) -179.5(18)
N(5) C(18) C(19) N(6) -7(2)
N(5) C(18) C(19) C(20) 168(2)
C(17) C(18) C(19) N(6) 177(2)
C(17) C(18) C(19) C(20) -8(3)
N(6) C(19) C(20) C(21) -4(2)
C(18) C(19) C(20) C(21) -178(2)
C(19) C(20) C(21) N(7) 3(2)
C(19) C(20) C(21) C(22) 177(2)
N(7) C(21) C(22) N(8) 2(2)
N(7) C(21) C(22) C(23) -179.7(15)
C(20) C(21) C(22) N(8) -173(2)
C(20) C(21) C(22) C(23) 6(4)
N(8) C(22) C(23) C(24) -3(4)
C(21) C(22) C(23) C(24) 179(2)
C(22) C(23) C(24) C(25) 1(3)
C(23) C(24) C(25) C(26) -8(4)
C(24) C(25) C(26) N(8) 16(4)
