#------------------------------------------------------------------------------
#$Date: 2019-11-28 17:46:45 +0100 (jue 28 de nov de 2019) $
#$Revision: 244330 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/87/7238752.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_7238752
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 H18 Br2 Cu2 N8 '
_chemical_formula_sum            'C26 H18 Br2 Cu2 N8'
_chemical_formula_weight         729.38
_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                100.78(4)
_cell_angle_beta                 96.00(3)
_cell_angle_gamma                94.43(4)
_cell_formula_units_Z            2
_cell_length_a                   9.105(14)
_cell_length_b                   12.40(2)
_cell_length_c                   12.57(2)
_cell_measurement_reflns_used    2262
_cell_measurement_temperature    200.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1380(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      343
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.183
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13228
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_exptl_absorpt_coefficient_mu    4.478
_exptl_absorpt_correction_T_max  0.639
_exptl_absorpt_correction_T_min  0.425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             716.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.84
_refine_diff_density_min         -2.20
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.476
_refine_ls_number_parameters     174
_refine_ls_number_reflns         6263
_refine_ls_R_factor_gt           0.3495
_refine_ls_shift/su_max          2.7380
_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         0.6973
_reflns_number_gt                1655
_reflns_number_total             6263
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c2ra21865h.txt
_cod_data_source_block           '_synCu2(bpypz)2Br2'
_cod_original_cell_volume        1379(4)
_cod_original_formula_sum        'C26 H18 Br2 Cu2 N8 '
_cod_database_code               7238752
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
Br(1) Br 0.2029(4) 0.3865(3) 0.8729(3) 0.105(2) Uani 1.00 1 d
Br(2) Br 0.4035(5) 0.0058(3) 0.6753(4) 0.111(2) Uani 1.00 1 d
Cu(1) Cu 0.0292(5) 0.2220(3) 0.9134(4) 0.103(2) Uani 1.00 1 d
Cu(2) Cu 0.1781(5) -0.0555(4) 0.7710(4) 0.108(2) Uani 1.00 1 d
N(1) N 0.053(3) 0.276(3) 1.086(2) 0.097(10) Uiso 1.00 1 d
N(2) N 0.155(4) 0.117(3) 0.966(3) 0.121(12) Uiso 1.00 1 d
N(3) N 0.206(3) 0.013(2) 0.942(2) 0.095(10) Uiso 1.00 1 d
N(4) N 0.289(3) -0.160(2) 0.849(2) 0.085(9) Uiso 1.00 1 d
N(5) N -0.163(3) 0.273(2) 0.862(2) 0.096(10) Uiso 1.00 1 d
N(6) N -0.039(3) 0.116(2) 0.786(2) 0.090(9) Uiso 1.00 1 d
N(7) N 0.008(3) 0.031(2) 0.731(2) 0.080(8) Uiso 1.00 1 d
N(8) N 0.066(4) -0.167(3) 0.618(3) 0.116(11) Uiso 1.00 1 d
C(1) C 0.018(7) 0.361(6) 1.135(6) 0.18(2) Uiso 1.00 1 d
C(2) C 0.043(3) 0.431(2) 1.233(2) 0.059(8) Uiso 1.00 1 d
C(3) C 0.153(6) 0.373(5) 1.291(4) 0.15(2) Uiso 1.00 1 d
C(4) C 0.214(5) 0.256(4) 1.269(4) 0.140(18) Uiso 1.00 1 d
C(5) C 0.160(3) 0.234(2) 1.143(2) 0.067(9) Uiso 1.00 1 d
C(6) C 0.209(3) 0.125(2) 1.076(2) 0.054(8) Uiso 1.00 1 d
C(7) C 0.291(4) 0.042(3) 1.105(3) 0.105(13) Uiso 1.00 1 d
C(8) C 0.2917(18) -0.0078(13) 1.0006(14) 0.000(3) Uiso 1.00 1 d
C(9) C 0.349(3) -0.129(2) 0.955(2) 0.060(8) Uiso 1.00 1 d
C(10) C 0.434(3) -0.170(2) 1.041(2) 0.060(8) Uiso 1.00 1 d
C(11) C 0.526(6) -0.256(5) 0.982(4) 0.16(2) Uiso 1.00 1 d
C(12) C 0.430(5) -0.322(4) 0.873(3) 0.110(14) Uiso 1.00 1 d
C(13) C 0.352(4) -0.234(4) 0.838(3) 0.107(14) Uiso 1.00 1 d
C(14) C -0.209(4) 0.384(3) 0.855(3) 0.084(11) Uiso 1.00 1 d
C(15) C -0.340(4) 0.428(3) 0.829(3) 0.093(12) Uiso 1.00 1 d
C(16) C -0.444(5) 0.355(4) 0.744(4) 0.127(16) Uiso 1.00 1 d
C(17) C -0.355(4) 0.271(3) 0.702(3) 0.098(13) Uiso 1.00 1 d
C(18) C -0.226(7) 0.234(5) 0.750(5) 0.16(2) Uiso 1.00 1 d
C(19) C -0.147(4) 0.132(3) 0.714(3) 0.091(12) Uiso 1.00 1 d
C(20) C -0.205(5) 0.064(4) 0.631(4) 0.115(15) Uiso 1.00 1 d
C(21) C -0.0852(18) -0.0170(12) 0.6487(13) 0.000(3) Uiso 1.00 1 d
C(22) C -0.073(4) -0.133(3) 0.570(3) 0.090(11) Uiso 1.00 1 d
C(23) C -0.139(4) -0.168(3) 0.457(3) 0.083(11) Uiso 1.00 1 d
C(24) C -0.054(6) -0.270(5) 0.442(4) 0.145(19) Uiso 1.00 1 d
C(25) C 0.068(4) -0.324(3) 0.497(3) 0.096(12) Uiso 1.00 1 d
C(26) C 0.165(6) -0.250(5) 0.590(5) 0.16(2) Uiso 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
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)
;
Cu Cu 0.320 1.265
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 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)
;
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) 96.3(10) yes
Br(1) Cu(1) N(2) 108.1(11) yes
Br(1) Cu(1) N(5) 96.9(10) yes
Br(1) Cu(1) N(6) 112.3(11) yes
N(1) Cu(1) N(2) 77.0(15) yes
N(1) Cu(1) N(5) 104.3(14) yes
N(1) Cu(1) N(6) 151.1(15) yes
N(2) Cu(1) N(5) 154.7(15) yes
N(2) Cu(1) N(6) 89.8(15) yes
N(5) Cu(1) N(6) 77.2(14) yes
Br(2) Cu(2) N(3) 112.1(9) yes
Br(2) Cu(2) N(4) 94.9(9) yes
Br(2) Cu(2) N(7) 107.6(9) yes
Br(2) Cu(2) N(8) 93.1(10) yes
N(3) Cu(2) N(4) 72.0(13) yes
N(3) Cu(2) N(7) 96.5(12) yes
N(3) Cu(2) N(8) 154.5(14) yes
N(4) Cu(2) N(7) 157.4(13) yes
N(4) Cu(2) N(8) 103.0(13) yes
N(7) Cu(2) N(8) 78.8(13) yes
Cu(1) N(1) C(1) 127(4) yes
Cu(1) N(1) C(5) 116(2) yes
C(1) N(1) C(5) 112(4) yes
Cu(1) N(2) N(3) 146(2) yes
Cu(1) N(2) C(6) 124(2) yes
N(3) N(2) C(6) 89(3) yes
Cu(2) N(3) N(2) 113(2) yes
Cu(2) N(3) C(8) 124(2) yes
N(2) N(3) C(8) 118(2) yes
Cu(2) N(4) C(9) 122(2) yes
Cu(2) N(4) C(13) 145(3) yes
C(9) N(4) C(13) 91(3) yes
Cu(1) N(5) C(14) 132(2) yes
Cu(1) N(5) C(18) 119(3) yes
C(14) N(5) C(18) 89(3) yes
Cu(1) N(6) N(7) 137(2) yes
Cu(1) N(6) C(19) 122(2) yes
N(7) N(6) C(19) 99(3) yes
Cu(2) N(7) N(6) 130(2) yes
Cu(2) N(7) C(21) 116(2) yes
N(6) N(7) C(21) 113(2) yes
Cu(2) N(8) C(22) 116(2) yes
Cu(2) N(8) C(26) 106(3) yes
C(22) N(8) C(26) 137(3) yes
N(1) C(1) C(2) 143(6) yes
C(1) C(2) C(3) 100(4) yes
C(2) C(3) C(4) 136(4) yes
C(3) C(4) C(5) 94(4) yes
N(1) C(5) C(4) 131(3) yes
N(1) C(5) C(6) 112(2) yes
C(4) C(5) C(6) 114(3) yes
N(2) C(6) C(5) 108(2) yes
N(2) C(6) C(7) 119(3) yes
C(5) C(6) C(7) 133(3) yes
C(6) C(7) C(8) 93(3) yes
N(3) C(8) C(7) 116(3) yes
N(3) C(8) C(9) 111(2) yes
C(7) C(8) C(9) 127(2) yes
N(4) C(9) C(8) 106(2) yes
N(4) C(9) C(10) 142(3) yes
N(4) C(9) C(13) 39(2) yes
C(8) C(9) C(10) 112(2) yes
C(8) C(9) C(13) 144(2) yes
C(10) C(9) C(13) 103(2) yes
C(9) C(10) C(11) 106(3) yes
C(10) C(11) C(12) 109(4) yes
C(11) C(12) C(13) 101(4) yes
N(4) C(13) C(9) 50(2) yes
N(4) C(13) C(12) 156(5) yes
C(9) C(13) C(12) 108(3) yes
N(5) C(14) C(15) 136(3) yes
C(14) C(15) C(16) 114(3) yes
C(15) C(16) C(17) 103(4) yes
C(16) C(17) C(18) 131(4) yes
N(5) C(18) C(17) 124(5) yes
N(5) C(18) C(19) 104(4) yes
C(17) C(18) C(19) 131(4) yes
N(6) C(19) C(18) 115(3) yes
N(6) C(19) C(20) 126(4) yes
C(18) C(19) C(20) 118(4) yes
C(19) C(20) C(21) 91(3) yes
N(7) C(21) C(20) 108(2) yes
N(7) C(21) C(22) 127(2) yes
C(20) C(21) C(22) 126(2) yes
N(8) C(22) C(21) 102(2) yes
N(8) C(22) C(23) 126(3) yes
C(21) C(22) C(23) 126(3) yes
C(22) C(23) C(24) 92(3) yes
C(23) C(24) C(25) 142(4) yes
C(24) C(25) C(26) 115(4) yes
N(8) C(26) C(25) 99(4) 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) 2.642(6) yes
Br(2) Cu(2) 2.618(7) yes
Cu(1) N(1) 2.12(3) yes
Cu(1) N(2) 1.95(4) yes
Cu(1) N(5) 2.00(3) yes
Cu(1) N(6) 1.89(2) yes
Cu(2) N(3) 2.13(3) yes
Cu(2) N(4) 2.03(3) yes
Cu(2) N(7) 2.03(3) yes
Cu(2) N(8) 2.24(3) yes
N(1) C(1) 1.20(8) yes
N(1) C(5) 1.34(5) yes
N(2) N(3) 1.41(5) yes
N(2) C(6) 1.41(5) yes
N(3) C(8) 1.09(3) yes
N(4) C(9) 1.37(4) yes
N(4) C(13) 1.11(6) yes
N(5) C(14) 1.49(5) yes
N(5) C(18) 1.43(6) yes
N(6) N(7) 1.27(4) yes
N(6) C(19) 1.32(5) yes
N(7) C(21) 1.29(3) yes
N(8) C(22) 1.47(5) yes
N(8) C(26) 1.45(7) yes
C(1) C(2) 1.36(7) yes
C(2) C(3) 1.49(7) yes
C(3) C(4) 1.57(8) yes
C(4) C(5) 1.57(6) yes
C(5) C(6) 1.59(4) yes
C(6) C(7) 1.39(5) yes
C(7) C(8) 1.34(4) yes
C(8) C(9) 1.65(3) yes
C(9) C(10) 1.45(4) yes
C(9) C(13) 1.77(5) yes
C(10) C(11) 1.54(7) yes
C(11) C(12) 1.59(7) yes
C(12) C(13) 1.45(7) yes
C(14) C(15) 1.38(5) yes
C(15) C(16) 1.46(5) yes
C(16) C(17) 1.43(7) yes
C(17) C(18) 1.42(8) yes
C(18) C(19) 1.52(8) yes
C(19) C(20) 1.25(5) yes
C(20) C(21) 1.57(5) yes
C(21) C(22) 1.61(4) yes
C(22) C(23) 1.46(5) yes
C(23) C(24) 1.53(7) yes
C(24) C(25) 1.52(7) yes
C(25) C(26) 1.50(6) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Br(1) C(11) 3.58(6) 2_657
N(1) N(4) 3.57(4) 2_557
N(2) C(11) 3.19(6) 2_657
N(4) N(1) 3.57(4) 2_557
N(5) C(10) 3.15(4) 2_557
N(6) C(7) 3.46(6) 2_557
N(7) C(23) 3.41(5) 2_556
N(8) C(3) 3.55(7) 2_557
N(8) C(4) 3.27(7) 2_557
C(1) C(14) 3.46(8) 2_567
C(2) C(14) 3.09(5) 2_567
C(2) C(15) 3.35(5) 2_567
C(3) N(8) 3.55(7) 2_557
C(3) C(15) 3.54(8) 2_567
C(4) N(8) 3.27(7) 2_557
C(4) C(21) 3.49(6) 2_557
C(4) C(22) 3.08(7) 2_557
C(5) C(11) 3.41(7) 2_657
C(6) C(11) 3.03(7) 2_657
C(7) N(6) 3.46(6) 2_557
C(7) C(9) 3.57(5) 2_657
C(7) C(11) 3.43(8) 2_657
C(8) C(9) 3.51(3) 2_657
C(8) C(10) 3.35(3) 2_657
C(8) C(11) 3.51(6) 2_657
C(9) C(7) 3.57(5) 2_657
C(9) C(8) 3.51(3) 2_657
C(10) N(5) 3.15(4) 2_557
C(10) C(8) 3.35(3) 2_657
C(10) C(18) 3.56(7) 2_557
C(11) Br(1) 3.58(6) 2_657
C(11) N(2) 3.19(6) 2_657
C(11) C(5) 3.41(7) 2_657
C(11) C(6) 3.03(7) 2_657
C(11) C(7) 3.43(8) 2_657
C(11) C(8) 3.51(6) 2_657
C(14) C(1) 3.46(8) 2_567
C(14) C(2) 3.09(5) 2_567
C(15) C(2) 3.35(5) 2_567
C(15) C(3) 3.54(8) 2_567
C(18) C(10) 3.56(7) 2_557
C(19) C(24) 3.42(8) 2_556
C(21) C(4) 3.49(6) 2_557
C(21) C(23) 3.49(4) 2_556
C(22) C(4) 3.08(7) 2_557
C(23) N(7) 3.41(5) 2_556
C(23) C(21) 3.49(4) 2_556
C(24) C(19) 3.42(8) 2_556
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) 62(4)
Br(1) Cu(1) N(1) C(5) -93(2)
Br(1) Cu(1) N(2) N(3) -109(5)
Br(1) Cu(1) N(2) C(6) 88(3)
Br(1) Cu(1) N(5) C(14) -27(3)
Br(1) Cu(1) N(5) C(18) 92(3)
Br(1) Cu(1) N(6) N(7) 84(4)
Br(1) Cu(1) N(6) C(19) -77(3)
N(1) Cu(1) N(2) N(3) 158(5)
N(1) Cu(1) N(2) C(6) -4(3)
N(2) Cu(1) N(1) C(1) 169(5)
N(2) Cu(1) N(1) C(5) 14(2)
N(1) Cu(1) N(5) C(14) 72(3)
N(1) Cu(1) N(5) C(18) -170(3)
N(5) Cu(1) N(1) C(1) -37(5)
N(5) Cu(1) N(1) C(5) 168(2)
N(1) Cu(1) N(6) N(7) -87(5)
N(1) Cu(1) N(6) C(19) 112(4)
N(6) Cu(1) N(1) C(1) -127(5)
N(6) Cu(1) N(1) C(5) 79(4)
N(2) Cu(1) N(5) C(14) 161(3)
N(2) Cu(1) N(5) C(18) -80(5)
N(5) Cu(1) N(2) N(3) 62(7)
N(5) Cu(1) N(2) C(6) -100(4)
N(2) Cu(1) N(6) N(7) -25(4)
N(2) Cu(1) N(6) C(19) 173(3)
N(6) Cu(1) N(2) N(3) 4(5)
N(6) Cu(1) N(2) C(6) -158(3)
N(5) Cu(1) N(6) N(7) 177(4)
N(5) Cu(1) N(6) C(19) 15(3)
N(6) Cu(1) N(5) C(14) -138(3)
N(6) Cu(1) N(5) C(18) -19(3)
Br(2) Cu(2) N(3) N(2) 87(2)
Br(2) Cu(2) N(3) C(8) -66(3)
Br(2) Cu(2) N(4) C(9) 99(2)
Br(2) Cu(2) N(4) C(13) -58(5)
Br(2) Cu(2) N(7) N(6) -102(3)
Br(2) Cu(2) N(7) C(21) 95(2)
Br(2) Cu(2) N(8) C(22) -112(3)
Br(2) Cu(2) N(8) C(26) 63(3)
N(3) Cu(2) N(4) C(9) -13(2)
N(3) Cu(2) N(4) C(13) -170(6)
N(4) Cu(2) N(3) N(2) 175(2)
N(4) Cu(2) N(3) C(8) 22(2)
N(3) Cu(2) N(7) N(6) 14(3)
N(3) Cu(2) N(7) C(21) -149(2)
N(7) Cu(2) N(3) N(2) -25(2)
N(7) Cu(2) N(3) C(8) -178(3)
N(3) Cu(2) N(8) C(22) 76(4)
N(3) Cu(2) N(8) C(26) -109(4)
N(8) Cu(2) N(3) N(2) -102(4)
N(8) Cu(2) N(3) C(8) 105(4)
N(4) Cu(2) N(7) N(6) 72(4)
N(4) Cu(2) N(7) C(21) -92(3)
N(7) Cu(2) N(4) C(9) -75(4)
N(7) Cu(2) N(4) C(13) 128(5)
N(4) Cu(2) N(8) C(22) 152(3)
N(4) Cu(2) N(8) C(26) -33(3)
N(8) Cu(2) N(4) C(9) -167(2)
N(8) Cu(2) N(4) C(13) 36(6)
N(7) Cu(2) N(8) C(22) -5(3)
N(7) Cu(2) N(8) C(26) 170(3)
N(8) Cu(2) N(7) N(6) 169(3)
N(8) Cu(2) N(7) C(21) 5(2)
Cu(1) N(1) C(1) C(2) -160(8)
Cu(1) N(1) C(5) C(4) 178(3)
Cu(1) N(1) C(5) C(6) -20(3)
C(1) N(1) C(5) C(4) 20(7)
C(1) N(1) C(5) C(6) -178(4)
C(5) N(1) C(1) C(2) -4(11)
Cu(1) N(2) N(3) Cu(2) 19(6)
Cu(1) N(2) N(3) C(8) 175(3)
Cu(1) N(2) C(6) C(5) -4(4)
Cu(1) N(2) C(6) C(7) 176(2)
N(3) N(2) C(6) C(5) -175(2)
N(3) N(2) C(6) C(7) 6(4)
C(6) N(2) N(3) Cu(2) -175(2)
C(6) N(2) N(3) C(8) -20(4)
Cu(2) N(3) C(8) C(7) -179.3(18)
Cu(2) N(3) C(8) C(9) -23(3)
N(2) N(3) C(8) C(7) 29(4)
N(2) N(3) C(8) C(9) -175(3)
Cu(2) N(4) C(9) C(8) 7(3)
Cu(2) N(4) C(9) C(10) -179(2)
Cu(2) N(4) C(9) C(13) -167(4)
Cu(2) N(4) C(13) C(9) 161(6)
Cu(2) N(4) C(13) C(12) -174(7)
C(9) N(4) C(13) C(12) 25(11)
C(13) N(4) C(9) C(8) 174(3)
C(13) N(4) C(9) C(10) -12(6)
Cu(1) N(5) C(14) C(15) -174(3)
Cu(1) N(5) C(18) C(17) -175(4)
Cu(1) N(5) C(18) C(19) 19(5)
C(14) N(5) C(18) C(17) -35(6)
C(14) N(5) C(18) C(19) 158(4)
C(18) N(5) C(14) C(15) 57(6)
Cu(1) N(6) N(7) Cu(2) 15(6)
Cu(1) N(6) N(7) C(21) 179(2)
Cu(1) N(6) C(19) C(18) -9(5)
Cu(1) N(6) C(19) C(20) -176(4)
N(7) N(6) C(19) C(18) -176(4)
N(7) N(6) C(19) C(20) 17(6)
C(19) N(6) N(7) Cu(2) 179(2)
C(19) N(6) N(7) C(21) -17(4)
Cu(2) N(7) C(21) C(20) -179.6(19)
Cu(2) N(7) C(21) C(22) -5(3)
N(6) N(7) C(21) C(20) 14(4)
N(6) N(7) C(21) C(22) -172(3)
Cu(2) N(8) C(22) C(21) 4(3)
Cu(2) N(8) C(22) C(23) 158(3)
Cu(2) N(8) C(26) C(25) 173(3)
C(22) N(8) C(26) C(25) -13(8)
C(26) N(8) C(22) C(21) -169(5)
C(26) N(8) C(22) C(23) -15(8)
N(1) C(1) C(2) C(3) 0(11)
C(1) C(2) C(3) C(4) -11(8)
C(2) C(3) C(4) C(5) 19(7)
C(3) C(4) C(5) N(1) -23(5)
C(3) C(4) C(5) C(6) 175(3)
N(1) C(5) C(6) N(2) 15(4)
N(1) C(5) C(6) C(7) -165(4)
C(4) C(5) C(6) N(2) -179(3)
C(4) C(5) C(6) C(7) 0(5)
N(2) C(6) C(7) C(8) 5(4)
C(5) C(6) C(7) C(8) -174(3)
C(6) C(7) C(8) N(3) -19(3)
C(6) C(7) C(8) C(9) -171(2)
N(3) C(8) C(9) N(4) 10(3)
N(3) C(8) C(9) C(10) -166(3)
N(3) C(8) C(9) C(13) 16(5)
C(7) C(8) C(9) N(4) 162(3)
C(7) C(8) C(9) C(10) -13(4)
C(7) C(8) C(9) C(13) 168(4)
N(4) C(9) C(10) C(11) 27(6)
N(4) C(9) C(13) C(12) -170(5)
C(8) C(9) C(10) C(11) -159(3)
C(8) C(9) C(13) N(4) -9(5)
C(8) C(9) C(13) C(12) -179(3)
C(10) C(9) C(13) N(4) 173(3)
C(10) C(9) C(13) C(12) 3(4)
C(13) C(9) C(10) C(11) 20(3)
C(9) C(10) C(11) C(12) -37(5)
C(10) C(11) C(12) C(13) 37(5)
C(11) C(12) C(13) N(4) -43(12)
C(11) C(12) C(13) C(9) -23(4)
N(5) C(14) C(15) C(16) -35(7)
C(14) C(15) C(16) C(17) -12(5)
C(15) C(16) C(17) C(18) 24(7)
C(16) C(17) C(18) N(5) 5(10)
C(16) C(17) C(18) C(19) 168(5)
N(5) C(18) C(19) N(6) -7(6)
N(5) C(18) C(19) C(20) 161(4)
C(17) C(18) C(19) N(6) -172(5)
C(17) C(18) C(19) C(20) -4(9)
N(6) C(19) C(20) C(21) -8(6)
C(18) C(19) C(20) C(21) -175(4)
C(19) C(20) C(21) N(7) -4(4)
C(19) C(20) C(21) C(22) -178(3)
N(7) C(21) C(22) N(8) 1(3)
N(7) C(21) C(22) C(23) -154(3)
C(20) C(21) C(22) N(8) 174(3)
C(20) C(21) C(22) C(23) 20(5)
N(8) C(22) C(23) C(24) 22(5)
C(21) C(22) C(23) C(24) 171(3)
C(22) C(23) C(24) C(25) -9(8)
C(23) C(24) C(25) C(26) -16(10)
C(24) C(25) C(26) N(8) 22(6)
