#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:44:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179861 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/57/7015702.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_7015702
loop_
_publ_author_name
'Reid, Derek J.'
'Cull, John E. W.'
'Chisholm, Kimberley D. S.'
'Langlois, Alexandre'
'Lin, Po-Heng'
'Long, Jérôme'
'Lebel, Olivier'
'Korobkov, Ilia'
'Wang, Ruiyao'
'Wuest, James D.'
'Murugesu, Muralee'
'Scott, Jennifer'
_publ_section_title
;
 Synthesis, structure and magnetism of homodinuclear complexes of Co,
 Ni and Cu supported by a novel bitriazine scaffold.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5009
_journal_page_last               5017
_journal_paper_doi               10.1039/c1dt00018g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C26 H37 Cu2 N17 O16'
_chemical_formula_weight         970.81
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 127.5490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.2640(4)
_cell_length_b                   10.8761(2)
_cell_length_c                   19.8923(6)
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.67
_cell_measurement_theta_min      2.58
_cell_volume                     4333.53(18)
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_collection       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_molecular_graphics    'SHELXTL, Bruker (2004)'
_computing_publication_material  'SHELXTL, Bruker (2004)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0159
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            38347
_diffrn_reflns_theta_full        28.72
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    1.065
_exptl_absorpt_correction_T_max  0.8919
_exptl_absorpt_correction_T_min  0.8397
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.742
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         5494
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0972P)²+4.3864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1480
_reflns_number_gt                4408
_reflns_number_total             5494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt00018g.txt
_cod_data_source_block           js007a_complex_5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4333.53(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7015702
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.134779(13) 0.65538(2) 0.313881(17) 0.03204(12) Uani 1 1 d . . .
N1 N 0.03301(10) 0.66744(16) 0.19289(11) 0.0303(4) Uani 1 1 d . . .
N2 N -0.07870(10) 0.66670(16) 0.14579(12) 0.0306(4) Uani 1 1 d . . .
N3 N -0.05670(10) 0.67364(19) 0.04474(12) 0.0357(4) Uani 1 1 d . . .
N4 N -0.16330(11) 0.6783(2) 0.00131(13) 0.0475(5) Uani 1 1 d . . .
H4A H -0.1770 0.6830 -0.0502 0.057 Uiso 1 1 calc R . .
H4B H -0.1917 0.6776 0.0118 0.057 Uiso 1 1 calc R . .
N5 N 0.05379(10) 0.6714(2) 0.09599(12) 0.0379(4) Uani 1 1 d . . .
H5B H 0.0943 0.6775 0.1413 0.045 Uiso 1 1 calc R . .
N6 N 0.20951(14) 0.4657(2) 0.40865(17) 0.0557(6) Uani 1 1 d . . .
N7 N 0.14882(14) 1.0334(2) 0.31587(19) 0.0668(8) Uani 1 1 d . . .
N8 N 0.28373(12) 0.8528(2) 0.28210(15) 0.0458(5) Uani 1 1 d . . .
O1 O 0.23603(17) 0.5680(3) 0.4394(2) 0.0870(8) Uani 1 1 d . . .
O2 O 0.15083(13) 0.4692(3) 0.34112(18) 0.0691(6) Uani 1 1 d . . .
O3 O 0.2363(2) 0.3690(3) 0.4400(2) 0.1022(11) Uani 1 1 d . . .
O4 O 0.16641(11) 0.83093(15) 0.33876(14) 0.0482(5) Uani 1 1 d . . .
O5 O 0.17833(9) 0.63787(16) 0.25909(11) 0.0385(4) Uani 1 1 d . . .
H5D H 0.1838 0.5519 0.2552 0.058 Uiso 1 1 d R A .
H5C H 0.2187 0.6845 0.2748 0.058 Uiso 1 1 d R . .
O6 O 0.32663(13) 0.9328(2) 0.31567(18) 0.0796(8) Uani 1 1 d . . .
O7 O 0.2372(2) 0.8578(3) 0.20754(18) 0.1099(14) Uani 1 1 d . . .
O8 O 0.28869(10) 0.7651(2) 0.32667(12) 0.0539(5) Uani 1 1 d . . .
C1 C -0.01258(11) 0.66610(17) 0.20484(12) 0.0278(4) Uani 1 1 d . . .
C2 C -0.09907(12) 0.6723(2) 0.06393(14) 0.0339(4) Uani 1 1 d . . .
C3 C 0.00752(12) 0.67047(19) 0.10836(14) 0.0319(4) Uani 1 1 d . . .
C4 C 0.04655(13) 0.6640(2) 0.01950(15) 0.0348(5) Uani 1 1 d . . .
C5 C 0.10551(15) 0.6777(3) 0.02897(18) 0.0477(6) Uani 1 1 d . . .
H5A H 0.1453 0.6929 0.0823 0.057 Uiso 1 1 calc R . .
C6 C 0.10508(18) 0.6688(3) -0.0410(2) 0.0588(8) Uani 1 1 d . . .
H6A H 0.1445 0.6781 -0.0347 0.071 Uiso 1 1 calc R . .
C7 C 0.04579(18) 0.6460(3) -0.11999(19) 0.0521(7) Uani 1 1 d . . .
H7A H 0.0452 0.6392 -0.1670 0.062 Uiso 1 1 calc R . .
C8 C -0.01239(15) 0.6332(2) -0.12920(16) 0.0448(6) Uani 1 1 d . . .
H8A H -0.0521 0.6184 -0.1828 0.054 Uiso 1 1 calc R . .
C9 C -0.01296(13) 0.6419(2) -0.05991(15) 0.0401(5) Uani 1 1 d . . .
H9A H -0.0526 0.6331 -0.0668 0.048 Uiso 1 1 calc R . .
C10 C 0.13106(16) 0.9222(3) 0.3130(3) 0.0796(13) Uani 1 1 d . A .
H10A H 0.0863 0.9095 0.2885 0.095 Uiso 1 1 calc R . .
C11 C 0.2184(2) 1.0638(4) 0.3531(4) 0.0966(15) Uani 1 1 d . A .
H11A H 0.2392 0.9944 0.3478 0.145 Uiso 1 1 calc R . .
H11B H 0.2422 1.0838 0.4119 0.145 Uiso 1 1 calc R . .
H11C H 0.2193 1.1329 0.3237 0.145 Uiso 1 1 calc R . .
C12 C 0.1067(8) 1.1343(11) 0.3155(12) 0.114(5) Uani 0.50 1 d P A 1
H12A H 0.1109 1.1298 0.3668 0.172 Uiso 0.50 1 calc PR A 1
H12B H 0.0607 1.1233 0.2676 0.172 Uiso 0.50 1 calc PR A 1
H12C H 0.1218 1.2131 0.3119 0.172 Uiso 0.50 1 calc PR A 1
C12' C 0.1055(6) 1.1402(10) 0.2635(10) 0.115(6) Uani 0.50 1 d P A 2
H12D H 0.1015 1.1440 0.2123 0.172 Uiso 0.50 1 calc PR A 2
H12E H 0.1253 1.2149 0.2950 0.172 Uiso 0.50 1 calc PR A 2
H12F H 0.0621 1.1300 0.2495 0.172 Uiso 0.50 1 calc PR A 2
N9 N 0.4675(5) 0.5422(6) 0.6224(7) 0.118(3) Uani 0.50 1 d PU . .
C13 C 0.4334(4) 0.5256(6) 0.5432(7) 0.108(4) Uani 0.50 1 d PU . .
C14 C 0.3831(6) 0.5152(9) 0.4535(7) 0.118(4) Uani 0.50 1 d PU . .
H14A H 0.4024 0.4816 0.4283 0.177 Uiso 0.50 1 calc PR . .
H14B H 0.3649 0.5950 0.4300 0.177 Uiso 0.50 1 calc PR . .
H14C H 0.3481 0.4619 0.4420 0.177 Uiso 0.50 1 calc PR . .
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'
O O 0.0106 0.0060 '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'
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
_geom_angle_publ_flag
O5 Cu1 O4 87.47(8) . . ?
O5 Cu1 N2 172.12(7) . 2 ?
O4 Cu1 N2 96.57(8) . 2 ?
O5 Cu1 O2 87.94(8) . . ?
O4 Cu1 O2 151.45(11) . . ?
N2 Cu1 O2 91.64(8) 2 . ?
O5 Cu1 N1 94.27(7) . . ?
O4 Cu1 N1 103.64(8) . . ?
N2 Cu1 N1 78.22(7) 2 . ?
O2 Cu1 N1 104.80(9) . . ?
O5 Cu1 O1 86.43(8) . . ?
O4 Cu1 O1 96.14(9) . . ?
N2 Cu1 O1 99.81(8) 2 . ?
O2 Cu1 O1 55.43(10) . . ?
N1 Cu1 O1 160.22(8) . . ?
C1 N1 C3 114.22(19) . . ?
C1 N1 Cu1 111.71(13) . . ?
C3 N1 Cu1 134.00(15) . . ?
C1 N2 C2 113.98(19) . . ?
C1 N2 Cu1 117.17(14) . 2 ?
C2 N2 Cu1 128.83(16) . 2 ?
C3 N3 C2 117.20(19) . . ?
C2 N4 H4A 120.0 . . ?
C2 N4 H4B 120.0 . . ?
H4A N4 H4B 120.0 . . ?
C3 N5 C4 130.0(2) . . ?
C3 N5 H5B 115.0 . . ?
C4 N5 H5B 115.0 . . ?
O3 N6 O2 120.5(3) . . ?
O3 N6 O1 124.2(4) . . ?
O2 N6 O1 115.4(3) . . ?
C10 N7 C11 121.0(3) . . ?
C10 N7 C12' 127.9(6) . . ?
C11 N7 C12' 108.5(6) . . ?
C10 N7 C12 117.0(6) . . ?
C11 N7 C12 117.2(7) . . ?
C12' N7 C12 39.4(8) . . ?
O7 N8 O6 120.9(3) . . ?
O7 N8 O8 120.3(3) . . ?
O6 N8 O8 118.8(2) . . ?
N6 O1 Cu1 86.0(2) . . ?
N6 O2 Cu1 103.0(2) . . ?
C10 O4 Cu1 126.1(2) . . ?
Cu1 O5 H5D 107.3 . . ?
Cu1 O5 H5C 125.6 . . ?
H5D O5 H5C 110.4 . . ?
N1 C1 N2 127.43(19) . . ?
N1 C1 C1 116.1(2) . 2 ?
N2 C1 C1 116.4(2) . 2 ?
N4 C2 N3 118.0(2) . . ?
N4 C2 N2 118.6(2) . . ?
N3 C2 N2 123.4(2) . . ?
N3 C3 N5 121.9(2) . . ?
N3 C3 N1 123.8(2) . . ?
N5 C3 N1 114.4(2) . . ?
C5 C4 C9 120.1(2) . . ?
C5 C4 N5 114.9(2) . . ?
C9 C4 N5 125.0(2) . . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
C7 C6 C5 119.6(3) . . ?
C7 C6 H6A 120.2 . . ?
C5 C6 H6A 120.2 . . ?
C6 C7 C8 120.1(3) . . ?
C6 C7 H7A 120.0 . . ?
C8 C7 H7A 120.0 . . ?
C7 C8 C9 121.2(3) . . ?
C7 C8 H8A 119.4 . . ?
C9 C8 H8A 119.4 . . ?
C8 C9 C4 118.9(2) . . ?
C8 C9 H9A 120.6 . . ?
C4 C9 H9A 120.6 . . ?
O4 C10 N7 127.1(3) . . ?
O4 C10 H10A 116.4 . . ?
N7 C10 H10A 116.4 . . ?
N7 C11 H11A 109.5 . . ?
N7 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N7 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N7 C12 H12A 109.5 . . ?
N7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N7 C12' H12D 109.5 . . ?
N7 C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
N7 C12' H12F 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
N9 C13 C14 167.6(12) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O5 1.9739(17) . ?
Cu1 O4 2.0117(18) . ?
Cu1 N2 2.0129(19) 2 ?
Cu1 O2 2.071(3) . ?
Cu1 N1 2.2086(19) . ?
Cu1 O1 2.429(4) . ?
N1 C1 1.310(3) . ?
N1 C3 1.387(3) . ?
N2 C1 1.334(3) . ?
N2 C2 1.378(3) . ?
N2 Cu1 2.0131(19) 2 ?
N3 C3 1.316(3) . ?
N3 C2 1.338(3) . ?
N4 C2 1.314(3) . ?
N4 H4A 0.8600 . ?
N4 H4B 0.8600 . ?
N5 C3 1.334(3) . ?
N5 C4 1.420(3) . ?
N5 H5B 0.8600 . ?
N6 O3 1.199(3) . ?
N6 O2 1.256(4) . ?
N6 O1 1.249(4) . ?
N7 C10 1.279(4) . ?
N7 C11 1.471(5) . ?
N7 C12' 1.497(10) . ?
N7 C12 1.527(13) . ?
N8 O7 1.208(4) . ?
N8 O6 1.223(3) . ?
N8 O8 1.256(3) . ?
O4 C10 1.220(4) . ?
O5 H5D 0.9550 . ?
O5 H5C 1.0040 . ?
C1 C1 1.497(4) 2 ?
C4 C5 1.391(4) . ?
C4 C9 1.385(4) . ?
C5 C6 1.389(4) . ?
C5 H5A 0.9300 . ?
C6 C7 1.380(5) . ?
C6 H6A 0.9300 . ?
C7 C8 1.373(4) . ?
C7 H7A 0.9300 . ?
C8 C9 1.390(3) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C12' H12D 0.9600 . ?
C12' H12E 0.9600 . ?
C12' H12F 0.9600 . ?
N9 C13 1.266(14) . ?
C13 C14 1.431(14) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O5 Cu1 N1 C1 172.65(14) . . . . ?
O4 Cu1 N1 C1 -98.92(14) . . . . ?
N2 Cu1 N1 C1 -4.92(14) 2 . . . ?
O2 Cu1 N1 C1 83.66(15) . . . . ?
O1 Cu1 N1 C1 81.3(3) . . . . ?
O5 Cu1 N1 C3 -3.91(19) . . . . ?
O4 Cu1 N1 C3 84.5(2) . . . . ?
N2 Cu1 N1 C3 178.5(2) 2 . . . ?
O2 Cu1 N1 C3 -92.9(2) . . . . ?
O1 Cu1 N1 C3 -95.2(3) . . . . ?
O3 N6 O1 Cu1 176.7(3) . . . . ?
O2 N6 O1 Cu1 -4.1(2) . . . . ?
O5 Cu1 O1 N6 -87.26(17) . . . . ?
O4 Cu1 O1 N6 -174.32(17) . . . . ?
N2 Cu1 O1 N6 87.89(17) 2 . . . ?
O2 Cu1 O1 N6 2.70(16) . . . . ?
N1 Cu1 O1 N6 5.4(3) . . . . ?
O3 N6 O2 Cu1 -175.9(3) . . . . ?
O1 N6 O2 Cu1 4.9(3) . . . . ?
O5 Cu1 O2 N6 84.33(18) . . . . ?
O4 Cu1 O2 N6 3.4(3) . . . . ?
N2 Cu1 O2 N6 -103.54(18) 2 . . . ?
N1 Cu1 O2 N6 178.21(16) . . . . ?
O1 Cu1 O2 N6 -2.75(16) . . . . ?
O5 Cu1 O4 C10 118.4(3) . . . . ?
N2 Cu1 O4 C10 -54.8(3) 2 . . . ?
O2 Cu1 O4 C10 -160.6(3) . . . . ?
N1 Cu1 O4 C10 24.6(3) . . . . ?
O1 Cu1 O4 C10 -155.4(3) . . . . ?
C3 N1 C1 N2 0.4(3) . . . . ?
Cu1 N1 C1 N2 -176.92(16) . . . . ?
C3 N1 C1 C1 -178.48(12) . . . 2 ?
Cu1 N1 C1 C1 4.23(13) . . . 2 ?
C2 N2 C1 N1 -1.6(3) . . . . ?
Cu1 N2 C1 N1 176.93(16) 2 . . . ?
C2 N2 C1 C1 177.24(13) . . . 2 ?
Cu1 N2 C1 C1 -4.22(15) 2 . . 2 ?
C3 N3 C2 N4 178.4(2) . . . . ?
C3 N3 C2 N2 -0.6(3) . . . . ?
C1 N2 C2 N4 -177.3(2) . . . . ?
Cu1 N2 C2 N4 4.4(3) 2 . . . ?
C1 N2 C2 N3 1.7(3) . . . . ?
Cu1 N2 C2 N3 -176.64(16) 2 . . . ?
C2 N3 C3 N5 180.0(2) . . . . ?
C2 N3 C3 N1 -0.9(3) . . . . ?
C4 N5 C3 N3 -6.7(4) . . . . ?
C4 N5 C3 N1 174.1(2) . . . . ?
C1 N1 C3 N3 1.0(3) . . . . ?
Cu1 N1 C3 N3 177.48(16) . . . . ?
C1 N1 C3 N5 -179.79(18) . . . . ?
Cu1 N1 C3 N5 -3.3(3) . . . . ?
C3 N5 C4 C5 175.0(2) . . . . ?
C3 N5 C4 C9 -6.6(4) . . . . ?
C9 C4 C5 C6 -0.3(4) . . . . ?
N5 C4 C5 C6 178.2(3) . . . . ?
C4 C5 C6 C7 -0.1(5) . . . . ?
C5 C6 C7 C8 0.5(5) . . . . ?
C6 C7 C8 C9 -0.5(4) . . . . ?
C7 C8 C9 C4 0.0(4) . . . . ?
C5 C4 C9 C8 0.3(4) . . . . ?
N5 C4 C9 C8 -178.0(2) . . . . ?
Cu1 O4 C10 N7 -167.4(3) . . . . ?
C11 N7 C10 O4 0.1(8) . . . . ?
C12' N7 C10 O4 159.7(11) . . . . ?
C12 N7 C10 O4 -154.8(9) . . . . ?
