#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:13:27 +0200 (mar 06 de oct de 2020) $
#$Revision: 257771 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/95/7059525.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_7059525
loop_
_publ_author_name
'Wang, Qingxu'
'Ye, Zhejun'
'Shi, Guoqing'
'Guo, Kaimeng'
'Li, Gang'
_publ_section_title
;
 Proton conduction in two Cu/Zn dimer-based hydrogen-bonded supramolecular
 frameworks from imidazole multi-carboxylate
;
_journal_issue                   19
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              8098
_journal_page_last               8105
_journal_paper_doi               10.1039/D0NJ01189D
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C48 H28 Cu2 N8 O12, 3(H2 O)'
_chemical_formula_sum            'C48 H34 Cu2 N8 O15'
_chemical_formula_weight         1089.91
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-14 deposited with the CCDC.	2020-04-24 downloaded from the CCDC.
;
_cell_angle_alpha                96.599(6)
_cell_angle_beta                 107.619(6)
_cell_angle_gamma                113.073(7)
_cell_formula_units_Z            1
_cell_length_a                   9.7608(7)
_cell_length_b                   11.4406(8)
_cell_length_c                   11.5187(8)
_cell_measurement_reflns_used    3099
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      70.7530
_cell_measurement_theta_min      4.1770
_cell_volume                     1087.14(16)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0417
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7649
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.067
_diffrn_reflns_theta_max         67.067
_diffrn_reflns_theta_min         4.178
_diffrn_source                   'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    1.952
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_description       prism
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.279
_exptl_crystal_size_mid          0.195
_exptl_crystal_size_min          0.144
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         3879
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0723P)²+0.3546P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1163
_refine_ls_wR_factor_ref         0.1262
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3219
_reflns_number_total             3879
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj01189d2.cif
_cod_data_source_block           a
_cod_depositor_comments
;Adding full bibliography for 7059524--7059525.cif.

 Adding full bibliography for 7059524--7059525.cif.
;
_cod_original_cell_volume        1087.12(15)
_cod_database_code               7059525
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.612
_shelx_estimated_absorpt_t_max   0.767
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2291(4) 0.7547(3) 0.8474(3) 0.0433(7) Uani 1 1 d . . . . .
C2 C 0.2568(3) 0.8903(3) 0.8998(3) 0.0354(6) Uani 1 1 d . . . . .
C3 C 0.3209(3) 0.9678(3) 1.0204(3) 0.0327(6) Uani 1 1 d . . . . .
C4 C 0.3908(4) 0.9459(3) 1.1449(3) 0.0387(7) Uani 1 1 d . . . . .
C5 C 0.2403(3) 1.0761(3) 0.8981(3) 0.0316(6) Uani 1 1 d . . . . .
C6 C 0.2043(4) 1.1799(3) 0.8516(3) 0.0320(6) Uani 1 1 d . . . . .
C7 C 0.3291(4) 1.3084(3) 0.8918(3) 0.0377(7) Uani 1 1 d . . . . .
H7 H 0.429(4) 1.319(3) 0.940(3) 0.045 Uiso 1 1 d . U . . .
C8 C 0.2988(4) 1.4097(3) 0.8556(3) 0.0412(7) Uani 1 1 d . . . . .
H8 H 0.382(4) 1.496(4) 0.883(3) 0.049 Uiso 1 1 d . U . . .
C9 C 0.1461(4) 1.3847(3) 0.7776(3) 0.0428(7) Uani 1 1 d . . . . .
H9 H 0.124(4) 1.454(4) 0.746(3) 0.051 Uiso 1 1 d . U . . .
C10 C 0.0233(4) 1.2566(3) 0.7345(3) 0.0413(7) Uani 1 1 d . . . . .
H10 H -0.072(5) 1.240(4) 0.687(3) 0.050 Uiso 1 1 d . U . . .
C11 C 0.0504(4) 1.1541(3) 0.7727(3) 0.0334(6) Uani 1 1 d . . . . .
C12 C -0.0924(4) 1.0213(3) 0.7361(3) 0.0401(7) Uani 1 1 d . . . . .
C13 C -0.1341(4) 0.7115(4) 0.8964(3) 0.0442(8) Uani 1 1 d . . . . .
H13 H -0.053(4) 0.798(4) 0.954(3) 0.053 Uiso 1 1 d . U . . .
C14 C -0.1054(5) 0.6008(5) 0.9069(4) 0.0589(10) Uani 1 1 d . . . . .
H14 H -0.010(5) 0.620(4) 0.968(4) 0.071 Uiso 1 1 d . U . . .
C15 C -0.2176(5) 0.4792(4) 0.8309(4) 0.0558(10) Uani 1 1 d . . . . .
H15 H -0.195(5) 0.406(4) 0.841(4) 0.067 Uiso 1 1 d . U . . .
C16 C -0.3642(4) 0.4625(3) 0.7428(3) 0.0447(8) Uani 1 1 d . . . . .
C17 C -0.3844(4) 0.5773(3) 0.7391(3) 0.0333(6) Uani 1 1 d . . . . .
C18 C -0.5296(3) 0.5705(3) 0.6535(3) 0.0334(6) Uani 1 1 d . . . . .
C19 C -0.6516(4) 0.4488(3) 0.5698(3) 0.0443(8) Uani 1 1 d . . . . .
C20 C -0.7905(4) 0.4494(4) 0.4882(3) 0.0544(10) Uani 1 1 d . . . . .
H20 H -0.886(5) 0.371(4) 0.430(4) 0.065 Uiso 1 1 d . U . . .
C21 C -0.8016(4) 0.5654(4) 0.4925(3) 0.0553(10) Uani 1 1 d . . . . .
H21 H -0.900(5) 0.559(4) 0.433(4) 0.066 Uiso 1 1 d . U . . .
C22 C -0.6737(4) 0.6831(4) 0.5791(3) 0.0436(7) Uani 1 1 d . . . . .
H22 H -0.677(4) 0.759(4) 0.592(4) 0.052 Uiso 1 1 d . U . . .
C23 C -0.4904(5) 0.3399(3) 0.6575(4) 0.0560(10) Uani 1 1 d . . . . .
H23 H -0.477(5) 0.255(4) 0.655(4) 0.067 Uiso 1 1 d . U . . .
C24 C -0.6248(5) 0.3344(3) 0.5748(4) 0.0589(11) Uani 1 1 d . . . . .
H24 H -0.718(5) 0.256(4) 0.511(4) 0.071 Uiso 1 1 d . U . . .
Cu1 Cu -0.34067(5) 0.83816(4) 0.78764(4) 0.03452(16) Uani 1 1 d . . . . .
N1 N 0.2073(3) 0.9608(2) 0.8234(2) 0.0351(5) Uani 1 1 d . . . . .
H1A H 0.163008 0.936114 0.742265 0.042 Uiso 1 1 calc R U . . .
N2 N 0.3101(3) 1.0834(2) 1.0185(2) 0.0309(5) Uani 1 1 d . . . . .
N3 N -0.2706(3) 0.6989(2) 0.8139(2) 0.0333(5) Uani 1 1 d . . . . .
N4 N -0.5415(3) 0.6849(2) 0.6580(2) 0.0332(5) Uani 1 1 d . . . . .
O1 O 0.1494(3) 0.6978(2) 0.7365(2) 0.0568(7) Uani 1 1 d . . . . .
O2 O 0.2928(3) 0.7005(2) 0.9291(3) 0.0600(7) Uani 1 1 d D . . . .
H2 H 0.342(5) 0.753(4) 1.013(2) 0.090 Uiso 1 1 d D U . . .
O3 O 0.4095(3) 0.8445(2) 1.1482(2) 0.0569(7) Uani 1 1 d . . . . .
O4 O -0.144(2) 0.9507(17) 0.6310(15) 0.0556(19) Uani 0.32(2) 1 d . . P A 2
O4A O -0.1928(12) 0.9735(8) 0.6216(6) 0.0556(19) Uani 0.68(2) 1 d . . P A 1
O5 O 0.4293(3) 1.0351(2) 1.2418(2) 0.0441(5) Uani 1 1 d . . . . .
O6 O -0.1172(3) 0.9786(2) 0.8268(2) 0.0443(5) Uani 1 1 d . . . . .
O7 O 0.470(2) 0.9508(11) 0.4817(12) 0.127(4) Uani 0.5 1 d . . P B -1
H7A H 0.542(9) 1.019(8) 0.570(6) 0.14(3) Uiso 1 1 d . . . C -1
O8 O 0.0908(10) 0.9146(7) 0.5641(5) 0.0787(14) Uani 0.503(5) 1 d . . P D 2
H8A H 0.150291 0.941296 0.522498 0.118 Uiso 0.503(5) 1 d R U P D 2
H8B H 0.025541 0.948236 0.552258 0.118 Uiso 0.503(5) 1 d R U P D 2
O8A O 0.2241(10) 0.9548(7) 0.5875(5) 0.0787(14) Uani 0.497(5) 1 d . . P D 1
H8AA H 0.314469 0.971315 0.582118 0.118 Uiso 0.497(5) 1 d R U P D 1
H8AB H 0.221929 1.026675 0.612558 0.118 Uiso 0.497(5) 1 d R U P D 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O1 C1 O2 123.0(3) . . ?
O1 C1 C2 121.1(3) . . ?
O2 C1 C2 115.8(3) . . ?
C3 C2 N1 105.8(2) . . ?
C3 C2 C1 132.6(3) . . ?
N1 C2 C1 121.5(3) . . ?
C2 C3 N2 109.6(3) . . ?
C2 C3 C4 132.0(3) . . ?
N2 C3 C4 118.4(2) . . ?
O3 C4 O5 124.5(3) . . ?
O3 C4 C3 119.2(3) . . ?
O5 C4 C3 116.3(3) . . ?
N2 C5 N1 110.7(2) . . ?
N2 C5 C6 124.8(2) . . ?
N1 C5 C6 124.6(3) . . ?
C11 C6 C7 119.7(3) . . ?
C11 C6 C5 122.0(3) . . ?
C7 C6 C5 118.3(3) . . ?
C8 C7 C6 120.2(3) . . ?
C8 C7 H7 123(2) . . ?
C6 C7 H7 116(2) . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8 119(2) . . ?
C7 C8 H8 120(2) . . ?
C8 C9 C10 119.6(3) . . ?
C8 C9 H9 121(2) . . ?
C10 C9 H9 119(2) . . ?
C9 C10 C11 120.9(3) . . ?
C9 C10 H10 121(3) . . ?
C11 C10 H10 118(3) . . ?
C10 C11 C6 119.3(3) . . ?
C10 C11 C12 118.0(3) . . ?
C6 C11 C12 122.4(3) . . ?
O4 C12 O6 122.8(9) . . ?
O6 C12 O4A 124.6(4) . . ?
O4 C12 C11 118.8(9) . . ?
O6 C12 C11 115.0(3) . . ?
O4A C12 C11 119.0(4) . . ?
N3 C13 C14 120.9(3) . . ?
N3 C13 H13 120(2) . . ?
C14 C13 H13 119(2) . . ?
C15 C14 C13 120.2(4) . . ?
C15 C14 H14 126(3) . . ?
C13 C14 H14 113(3) . . ?
C14 C15 C16 120.2(3) . . ?
C14 C15 H15 118(3) . . ?
C16 C15 H15 121(3) . . ?
C15 C16 C17 116.1(3) . . ?
C15 C16 C23 125.2(3) . . ?
C17 C16 C23 118.7(3) . . ?
N3 C17 C16 123.3(3) . . ?
N3 C17 C18 116.3(3) . . ?
C16 C17 C18 120.4(3) . . ?
N4 C18 C19 123.3(3) . . ?
N4 C18 C17 116.8(3) . . ?
C19 C18 C17 119.9(3) . . ?
C20 C19 C18 116.9(3) . . ?
C20 C19 C24 125.2(3) . . ?
C18 C19 C24 118.0(3) . . ?
C21 C20 C19 119.6(3) . . ?
C21 C20 H20 115(2) . . ?
C19 C20 H20 125(2) . . ?
C20 C21 C22 119.9(3) . . ?
C20 C21 H21 115(2) . . ?
C22 C21 H21 125(2) . . ?
N4 C22 C21 121.6(3) . . ?
N4 C22 H22 113(3) . . ?
C21 C22 H22 125(3) . . ?
C24 C23 C16 120.8(3) . . ?
C24 C23 H23 118(2) . . ?
C16 C23 H23 121(2) . . ?
C23 C24 C19 122.3(3) . . ?
C23 C24 H24 127(2) . . ?
C19 C24 H24 110(2) . . ?
O5 Cu1 N3 175.06(10) 2_577 . ?
O5 Cu1 O6 91.11(10) 2_577 . ?
N3 Cu1 O6 93.83(10) . . ?
O5 Cu1 N4 93.35(10) 2_577 . ?
N3 Cu1 N4 82.49(10) . . ?
O6 Cu1 N4 147.31(10) . . ?
O5 Cu1 N2 80.71(9) 2_577 2_577 ?
N3 Cu1 N2 99.46(9) . 2_577 ?
O6 Cu1 N2 87.76(9) . 2_577 ?
N4 Cu1 N2 124.92(9) . 2_577 ?
C5 N1 C2 107.8(2) . . ?
C5 N1 H1A 126.1 . . ?
C2 N1 H1A 126.1 . . ?
C5 N2 C3 106.1(2) . . ?
C5 N2 Cu1 145.0(2) . 2_577 ?
C3 N2 Cu1 103.98(17) . 2_577 ?
C13 N3 C17 119.2(3) . . ?
C13 N3 Cu1 127.9(2) . . ?
C17 N3 Cu1 112.82(19) . . ?
C22 N4 C18 118.7(3) . . ?
C22 N4 Cu1 129.7(2) . . ?
C18 N4 Cu1 111.57(19) . . ?
C1 O2 H2 113(3) . . ?
C4 O5 Cu1 115.87(19) . 2_577 ?
C12 O6 Cu1 115.8(2) . . ?
H8A O8 H8B 109.5 . . ?
H8AA O8A H8AB 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
C1 O1 1.212(4) . ?
C1 O2 1.318(4) . ?
C1 C2 1.484(4) . ?
C2 C3 1.365(4) . ?
C2 N1 1.367(4) . ?
C3 N2 1.370(3) . ?
C3 C4 1.485(4) . ?
C4 O3 1.247(4) . ?
C4 O5 1.270(4) . ?
C5 N2 1.323(4) . ?
C5 N1 1.350(4) . ?
C5 C6 1.477(4) . ?
C6 C11 1.391(4) . ?
C6 C7 1.399(4) . ?
C7 C8 1.382(4) . ?
C7 H7 0.91(4) . ?
C8 C9 1.381(5) . ?
C8 H8 0.94(4) . ?
C9 C10 1.387(4) . ?
C9 H9 0.97(4) . ?
C10 C11 1.389(4) . ?
C10 H10 0.85(4) . ?
C11 C12 1.506(4) . ?
C12 O4 1.207(16) . ?
C12 O6 1.252(4) . ?
C12 O4A 1.277(8) . ?
C13 N3 1.323(4) . ?
C13 C14 1.411(5) . ?
C13 H13 0.99(4) . ?
C14 C15 1.359(6) . ?
C14 H14 0.90(4) . ?
C15 C16 1.406(5) . ?
C15 H15 0.96(4) . ?
C16 C17 1.406(4) . ?
C16 C23 1.430(5) . ?
C17 N3 1.358(4) . ?
C17 C18 1.427(4) . ?
C18 N4 1.355(4) . ?
C18 C19 1.409(4) . ?
C19 C20 1.399(5) . ?
C19 C24 1.436(5) . ?
C20 C21 1.370(6) . ?
C20 H20 0.98(4) . ?
C21 C22 1.409(5) . ?
C21 H21 0.97(4) . ?
C22 N4 1.325(4) . ?
C22 H22 0.87(4) . ?
C23 C24 1.340(6) . ?
C23 H23 1.03(4) . ?
C24 H24 0.99(4) . ?
Cu1 O5 1.971(2) 2_577 ?
Cu1 N3 1.985(2) . ?
Cu1 O6 2.008(2) . ?
Cu1 N4 2.019(2) . ?
Cu1 N2 2.192(2) 2_577 ?
N1 H1A 0.8600 . ?
O2 H2 0.938(19) . ?
O7 H7A 1.05(6) . ?
O8 H8A 0.8503 . ?
O8 H8B 0.8504 . ?
O8A H8AA 0.8501 . ?
O8A H8AB 0.8503 . ?
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
O1 C1 C2 C3 169.6(3) . . . . ?
O2 C1 C2 C3 -8.7(5) . . . . ?
O1 C1 C2 N1 -6.5(5) . . . . ?
O2 C1 C2 N1 175.1(3) . . . . ?
N1 C2 C3 N2 0.4(3) . . . . ?
C1 C2 C3 N2 -176.1(3) . . . . ?
N1 C2 C3 C4 178.3(3) . . . . ?
C1 C2 C3 C4 1.7(6) . . . . ?
C2 C3 C4 O3 6.1(5) . . . . ?
N2 C3 C4 O3 -176.2(3) . . . . ?
C2 C3 C4 O5 -174.6(3) . . . . ?
N2 C3 C4 O5 3.0(4) . . . . ?
N2 C5 C6 C11 -125.8(3) . . . . ?
N1 C5 C6 C11 54.6(4) . . . . ?
N2 C5 C6 C7 52.4(4) . . . . ?
N1 C5 C6 C7 -127.2(3) . . . . ?
C11 C6 C7 C8 1.5(4) . . . . ?
C5 C6 C7 C8 -176.8(3) . . . . ?
C6 C7 C8 C9 -1.2(5) . . . . ?
C7 C8 C9 C10 -0.8(5) . . . . ?
C8 C9 C10 C11 2.6(5) . . . . ?
C9 C10 C11 C6 -2.4(5) . . . . ?
C9 C10 C11 C12 172.2(3) . . . . ?
C7 C6 C11 C10 0.3(4) . . . . ?
C5 C6 C11 C10 178.5(3) . . . . ?
C7 C6 C11 C12 -174.0(3) . . . . ?
C5 C6 C11 C12 4.2(4) . . . . ?
C10 C11 C12 O4 80.8(12) . . . . ?
C6 C11 C12 O4 -104.8(11) . . . . ?
C10 C11 C12 O6 -119.1(3) . . . . ?
C6 C11 C12 O6 55.2(4) . . . . ?
C10 C11 C12 O4A 48.3(7) . . . . ?
C6 C11 C12 O4A -137.3(7) . . . . ?
N3 C13 C14 C15 0.9(6) . . . . ?
C13 C14 C15 C16 -1.2(6) . . . . ?
C14 C15 C16 C17 0.4(5) . . . . ?
C14 C15 C16 C23 179.5(4) . . . . ?
C15 C16 C17 N3 0.8(5) . . . . ?
C23 C16 C17 N3 -178.4(3) . . . . ?
C15 C16 C17 C18 -179.6(3) . . . . ?
C23 C16 C17 C18 1.2(5) . . . . ?
N3 C17 C18 N4 -2.0(4) . . . . ?
C16 C17 C18 N4 178.3(3) . . . . ?
N3 C17 C18 C19 178.0(3) . . . . ?
C16 C17 C18 C19 -1.7(4) . . . . ?
N4 C18 C19 C20 0.3(5) . . . . ?
C17 C18 C19 C20 -179.8(3) . . . . ?
N4 C18 C19 C24 -179.6(3) . . . . ?
C17 C18 C19 C24 0.3(4) . . . . ?
C18 C19 C20 C21 0.2(5) . . . . ?
C24 C19 C20 C21 -179.9(3) . . . . ?
C19 C20 C21 C22 -0.2(6) . . . . ?
C20 C21 C22 N4 -0.3(6) . . . . ?
C15 C16 C23 C24 -178.5(4) . . . . ?
C17 C16 C23 C24 0.6(5) . . . . ?
C16 C23 C24 C19 -2.0(6) . . . . ?
C20 C19 C24 C23 -178.3(4) . . . . ?
C18 C19 C24 C23 1.5(5) . . . . ?
N2 C5 N1 C2 0.6(3) . . . . ?
C6 C5 N1 C2 -179.7(3) . . . . ?
C3 C2 N1 C5 -0.6(3) . . . . ?
C1 C2 N1 C5 176.4(3) . . . . ?
N1 C5 N2 C3 -0.3(3) . . . . ?
C6 C5 N2 C3 180.0(3) . . . . ?
N1 C5 N2 Cu1 -148.6(3) . . . 2_577 ?
C6 C5 N2 Cu1 31.7(5) . . . 2_577 ?
C2 C3 N2 C5 -0.1(3) . . . . ?
C4 C3 N2 C5 -178.2(3) . . . . ?
C2 C3 N2 Cu1 161.8(2) . . . 2_577 ?
C4 C3 N2 Cu1 -16.3(3) . . . 2_577 ?
C14 C13 N3 C17 0.2(5) . . . . ?
C14 C13 N3 Cu1 177.2(3) . . . . ?
C16 C17 N3 C13 -1.1(4) . . . . ?
C18 C17 N3 C13 179.2(3) . . . . ?
C16 C17 N3 Cu1 -178.4(2) . . . . ?
C18 C17 N3 Cu1 1.9(3) . . . . ?
C21 C22 N4 C18 0.7(5) . . . . ?
C21 C22 N4 Cu1 178.6(2) . . . . ?
C19 C18 N4 C22 -0.7(4) . . . . ?
C17 C18 N4 C22 179.3(3) . . . . ?
C19 C18 N4 Cu1 -179.0(2) . . . . ?
C17 C18 N4 Cu1 1.1(3) . . . . ?
O3 C4 O5 Cu1 -165.8(3) . . . 2_577 ?
C3 C4 O5 Cu1 14.9(4) . . . 2_577 ?
O4 C12 O6 Cu1 -41.1(12) . . . . ?
O4A C12 O6 Cu1 -6.9(8) . . . . ?
C11 C12 O6 Cu1 159.7(2) . . . . ?
