#------------------------------------------------------------------------------
#$Date: 2020-08-06 16:07:26 +0300 (Thu, 06 Aug 2020) $
#$Revision: 254922 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/67/7126755.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_7126755
loop_
_publ_author_name
'Fuku, Kentaro'
'Miyata, Momoka'
'Takaishi, Shinya'
'Yoshida, Takefumi'
'Yamashita, Masahiro'
'Hoshino, Norihisa'
'Akutagawa, Tomoyuki'
'Ohtsu, Hiroyoshi'
'Kawano, Masaki'
'Iguchi, Hiroaki'
_publ_section_title
;
 Emergence of electrical conductivity in a flexible coordination polymer
 by using chemical reduction.
;
_journal_issue                   61
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8619
_journal_page_last               8622
_journal_paper_doi               10.1039/d0cc03062g
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C56 H40 Cu N10 O14, 2(C H Cl3)'
_chemical_formula_sum            'C58 H42 Cl6 Cu N10 O14'
_chemical_formula_weight         1379.25
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-04-27 deposited with the CCDC.	2020-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                104.709(7)
_cell_angle_beta                 98.483(7)
_cell_angle_gamma                101.948(7)
_cell_formula_units_Z            1
_cell_length_a                   11.189(4)
_cell_length_b                   11.495(5)
_cell_length_c                   11.892(5)
_cell_measurement_reflns_used    2589
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.69
_cell_measurement_theta_min      2.32
_cell_volume                     1414.6(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_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            13147
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.881
_diffrn_reflns_theta_min         1.811
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.749
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.840
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2012/1
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_description       prism
_exptl_crystal_F_000             703
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.082
_refine_diff_density_min         -1.178
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         5989
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1010
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1139P)²+3.8345P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1942
_refine_ls_wR_factor_ref         0.2148
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4259
_reflns_number_total             5989
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc03062g3.cif
_cod_data_source_block           1Cu
_cod_depositor_comments          'Adding full bibliography for 7126755.cif.'
_cod_database_code               7126755
_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   0.823
_shelx_estimated_absorpt_t_max   0.964
_exptl_absorpt_special_details
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction.
wR2(int) was 0.0815 before and 0.0419 after correction.
;
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 0.4468(4) 0.5167(4) 0.1205(4) 0.0179(10) Uani 1 1 d . . . . .
H1 H 0.494528 0.598595 0.142870 0.022 Uiso 1 1 calc R U . . .
C2 C 0.3282(4) 0.4848(4) 0.0524(4) 0.0141(9) Uani 1 1 d . . . . .
C3 C 0.2538(4) 0.3607(4) 0.0214(4) 0.0129(9) Uani 1 1 d . . . . .
C4 C 0.1313(4) 0.3281(4) -0.0468(4) 0.0142(9) Uani 1 1 d . . . . .
C5 C 0.0591(4) 0.2070(4) -0.0748(4) 0.0175(10) Uani 1 1 d . . . . .
H2 H -0.022432 0.185472 -0.118431 0.021 Uiso 1 1 calc R U . . .
C6 C 0.1080(4) 0.1173(4) -0.0380(4) 0.0178(10) Uani 1 1 d . . . . .
H3 H 0.058887 0.036143 -0.057831 0.021 Uiso 1 1 calc R U . . .
C7 C 0.2273(4) 0.1475(4) 0.0269(4) 0.0135(9) Uani 1 1 d . . . . .
C8 C 0.3026(4) 0.2705(4) 0.0581(4) 0.0115(9) Uani 1 1 d . . . . .
C9 C 0.4262(4) 0.3037(4) 0.1251(4) 0.0147(9) Uani 1 1 d . . . . .
C10 C 0.4968(5) 0.4252(4) 0.1569(4) 0.0191(10) Uani 1 1 d . . . . .
H4 H 0.577506 0.447202 0.202536 0.023 Uiso 1 1 calc R U . . .
C11 C 0.2784(4) 0.5794(4) 0.0096(4) 0.0159(9) Uani 1 1 d . . . . .
C12 C 0.0806(5) 0.4205(4) -0.0923(4) 0.0176(10) Uani 1 1 d . . . . .
O1 O 0.3389(3) 0.6870(3) 0.0345(4) 0.0274(9) Uani 1 1 d . . . . .
N1 N 0.1595(4) 0.5394(3) -0.0639(3) 0.0154(8) Uani 1 1 d . . . . .
O2 O -0.0244(3) 0.3950(3) -0.1520(3) 0.0229(8) Uani 1 1 d . . . . .
C13 C 0.4800(4) 0.2063(4) 0.1564(4) 0.0163(10) Uani 1 1 d . . . . .
C14 C 0.2785(4) 0.0505(4) 0.0645(4) 0.0152(9) Uani 1 1 d . . . . .
O3 O 0.5878(3) 0.2268(3) 0.2078(4) 0.0261(8) Uani 1 1 d . . . . .
N2 N 0.4032(3) 0.0857(3) 0.1231(3) 0.0129(8) Uani 1 1 d . . . . .
O4 O 0.2148(3) -0.0550(3) 0.0445(3) 0.0227(8) Uani 1 1 d . . . . .
C15 C 0.1136(5) 0.6284(4) -0.1179(4) 0.0187(10) Uani 1 1 d . . . . .
H5 H 0.159740 0.712617 -0.072607 0.022 Uiso 1 1 calc R U . . .
H6 H 0.025997 0.620345 -0.116042 0.022 Uiso 1 1 calc R U . . .
C16 C 0.1300(5) 0.6033(4) -0.2468(4) 0.0167(10) Uani 1 1 d . . . . .
H7 H 0.216569 0.604160 -0.248435 0.020 Uiso 1 1 calc R U . . .
H8 H 0.079062 0.520874 -0.292618 0.020 Uiso 1 1 calc R U . . .
C17 C 0.0943(4) 0.6965(4) -0.3045(4) 0.0144(9) Uani 1 1 d . . . . .
C18 C 0.1510(5) 0.8233(4) -0.2579(5) 0.0230(11) Uani 1 1 d . . . . .
H9 H 0.209150 0.852840 -0.186085 0.028 Uiso 1 1 calc R U . . .
C19 C 0.1214(5) 0.9056(4) -0.3174(5) 0.0214(11) Uani 1 1 d . . . . .
H10 H 0.161795 0.989549 -0.284443 0.026 Uiso 1 1 calc R U . . .
N3 N 0.0370(4) 0.8703(3) -0.4206(3) 0.0132(8) Uani 1 1 d . . . . .
C20 C -0.0185(5) 0.7480(4) -0.4653(5) 0.0206(10) Uani 1 1 d . . . . .
H11 H -0.076693 0.720921 -0.536975 0.025 Uiso 1 1 calc R U . . .
C21 C 0.0060(5) 0.6605(4) -0.4107(4) 0.0199(10) Uani 1 1 d . . . . .
H12 H -0.036620 0.577208 -0.444810 0.024 Uiso 1 1 calc R U . . .
C22 C 0.4595(5) -0.0137(4) 0.1479(4) 0.0171(10) Uani 1 1 d . . . . .
H13 H 0.538940 -0.005533 0.123223 0.021 Uiso 1 1 calc R U . . .
H14 H 0.405248 -0.093763 0.100059 0.021 Uiso 1 1 calc R U . . .
C23 C 0.4813(4) -0.0121(4) 0.2784(4) 0.0167(10) Uani 1 1 d . . . . .
H15 H 0.510422 -0.084349 0.285147 0.020 Uiso 1 1 calc R U . . .
H16 H 0.546732 0.061365 0.324623 0.020 Uiso 1 1 calc R U . . .
C24 C 0.3666(4) -0.0122(4) 0.3306(4) 0.0164(10) Uani 1 1 d . . . . .
C25 C 0.2687(5) -0.1178(4) 0.3043(4) 0.0185(10) Uani 1 1 d . . . . .
H17 H 0.272429 -0.192409 0.253117 0.022 Uiso 1 1 calc R U . . .
C26 C 0.1657(4) -0.1111(4) 0.3546(4) 0.0158(9) Uani 1 1 d . . . . .
H18 H 0.102034 -0.183324 0.337611 0.019 Uiso 1 1 calc R U . . .
N4 N 0.1529(3) -0.0062(3) 0.4266(3) 0.0137(8) Uani 1 1 d . . . . .
C27 C 0.2479(5) 0.0947(4) 0.4522(5) 0.0223(11) Uani 1 1 d . . . . .
H19 H 0.241791 0.168575 0.502887 0.027 Uiso 1 1 calc R U . . .
C28 C 0.3546(5) 0.0949(5) 0.4072(5) 0.0230(11) Uani 1 1 d . . . . .
H20 H 0.418637 0.167519 0.428538 0.028 Uiso 1 1 calc R U . . .
O5 O 0.1224(3) 0.1697(3) 0.6749(3) 0.0171(7) Uani 1 1 d . . . . .
O6 O 0.2523(4) 0.3497(3) 0.7219(4) 0.0411(11) Uani 1 1 d . . . . .
O7 O 0.3126(3) 0.1982(3) 0.7693(4) 0.0302(9) Uani 1 1 d . . . . .
N5 N 0.2313(4) 0.2391(4) 0.7222(4) 0.0178(8) Uani 1 1 d . . . . .
C29 C 0.3364(6) 0.5339(6) 0.4019(6) 0.0403(15) Uani 1 1 d . . . . .
H21 H 0.413687 0.562631 0.376302 0.048 Uiso 1 1 calc R U . A 1
Cl1 Cl 0.21280(15) 0.55423(15) 0.30662(14) 0.0386(4) Uani 1 1 d . . . B 1
Cl2 Cl 0.31703(19) 0.37466(18) 0.3909(2) 0.0568(5) Uani 1 1 d . . . C 1
Cl3 Cl 0.35137(17) 0.6217(2) 0.54731(16) 0.0556(5) Uani 1 1 d . . . D 1
Cu1 Cu 0.000000 0.000000 0.500000 0.0116(2) Uani 1 2 d S . P . .
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'
Cl Cl 0.1484 0.1585 '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
C2 C1 C10 120.2(4) . . ?
C1 C2 C3 120.0(4) . . ?
C1 C2 C11 120.1(4) . . ?
C3 C2 C11 120.0(4) . . ?
C8 C3 C4 120.0(4) . . ?
C8 C3 C2 119.9(4) . . ?
C4 C3 C2 120.1(4) . . ?
C5 C4 C3 119.5(4) . . ?
C5 C4 C12 119.8(4) . . ?
C3 C4 C12 120.7(4) . . ?
C4 C5 C6 120.4(4) . . ?
C7 C6 C5 120.6(4) . . ?
C6 C7 C8 120.2(4) . . ?
C6 C7 C14 120.0(4) . . ?
C8 C7 C14 119.8(4) . . ?
C3 C8 C9 119.6(4) . . ?
C3 C8 C7 119.3(4) . . ?
C9 C8 C7 121.1(4) . . ?
C10 C9 C8 120.0(4) . . ?
C10 C9 C13 120.7(4) . . ?
C8 C9 C13 119.2(4) . . ?
C9 C10 C1 120.3(4) . . ?
O1 C11 N1 120.7(4) . . ?
O1 C11 C2 122.1(4) . . ?
N1 C11 C2 117.1(4) . . ?
O2 C12 N1 120.9(4) . . ?
O2 C12 C4 122.3(4) . . ?
N1 C12 C4 116.8(4) . . ?
C12 N1 C11 125.0(4) . . ?
C12 N1 C15 116.9(4) . . ?
C11 N1 C15 118.0(4) . . ?
O3 C13 N2 119.3(4) . . ?
O3 C13 C9 122.8(4) . . ?
N2 C13 C9 117.9(4) . . ?
O4 C14 N2 121.3(4) . . ?
O4 C14 C7 121.9(4) . . ?
N2 C14 C7 116.9(4) . . ?
C14 N2 C13 124.8(4) . . ?
C14 N2 C22 117.3(4) . . ?
C13 N2 C22 117.8(4) . . ?
N1 C15 C16 110.2(4) . . ?
C17 C16 C15 113.1(4) . . ?
C18 C17 C21 116.1(4) . . ?
C18 C17 C16 122.1(4) . . ?
C21 C17 C16 121.7(4) . . ?
C19 C18 C17 120.5(5) . . ?
N3 C19 C18 123.3(4) . . ?
C20 N3 C19 116.4(4) . . ?
C20 N3 Cu1 123.7(3) . 1_564 ?
C19 N3 Cu1 119.9(3) . 1_564 ?
N3 C20 C21 123.6(5) . . ?
C20 C21 C17 120.2(4) . . ?
N2 C22 C23 114.4(4) . . ?
C24 C23 C22 113.7(4) . . ?
C28 C24 C25 117.0(4) . . ?
C28 C24 C23 120.5(4) . . ?
C25 C24 C23 122.5(4) . . ?
C26 C25 C24 119.5(4) . . ?
N4 C26 C25 123.4(4) . . ?
C27 N4 C26 116.7(4) . . ?
C27 N4 Cu1 120.9(3) . . ?
C26 N4 Cu1 122.4(3) . . ?
N4 C27 C28 123.3(5) . . ?
C27 C28 C24 120.1(4) . . ?
O7 N5 O6 121.5(4) . . ?
O7 N5 O5 120.5(4) . . ?
O6 N5 O5 117.9(4) . . ?
Cl3 C29 Cl1 111.5(4) . . ?
Cl3 C29 Cl2 111.2(4) . . ?
Cl1 C29 Cl2 110.4(4) . . ?
N3 Cu1 N3 180.0 2_565 1_546 ?
N3 Cu1 N4 90.37(15) 2_565 . ?
N3 Cu1 N4 89.63(15) 1_546 . ?
N3 Cu1 N4 89.63(15) 2_565 2_556 ?
N3 Cu1 N4 90.37(15) 1_546 2_556 ?
N4 Cu1 N4 180.0 . 2_556 ?
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 C2 1.372(7) . ?
C1 C10 1.418(7) . ?
C2 C3 1.420(6) . ?
C2 C11 1.483(6) . ?
C3 C8 1.399(6) . ?
C3 C4 1.407(7) . ?
C4 C5 1.385(6) . ?
C4 C12 1.482(6) . ?
C5 C6 1.396(6) . ?
C6 C7 1.366(7) . ?
C7 C8 1.413(6) . ?
C7 C14 1.487(6) . ?
C8 C9 1.412(7) . ?
C9 C10 1.380(6) . ?
C9 C13 1.476(6) . ?
C11 O1 1.218(6) . ?
C11 N1 1.394(6) . ?
C12 O2 1.215(6) . ?
C12 N1 1.393(6) . ?
N1 C15 1.475(6) . ?
C13 O3 1.216(6) . ?
C13 N2 1.394(6) . ?
C14 O4 1.217(6) . ?
C14 N2 1.391(6) . ?
N2 C22 1.485(6) . ?
C15 C16 1.532(7) . ?
C16 C17 1.499(6) . ?
C17 C18 1.392(7) . ?
C17 C21 1.392(7) . ?
C18 C19 1.380(7) . ?
C19 N3 1.345(6) . ?
N3 C20 1.344(6) . ?
N3 Cu1 2.035(4) 1_564 ?
C20 C21 1.380(7) . ?
C22 C23 1.529(7) . ?
C23 C24 1.506(6) . ?
C24 C28 1.378(7) . ?
C24 C25 1.387(7) . ?
C25 C26 1.382(7) . ?
C26 N4 1.339(6) . ?
N4 C27 1.335(6) . ?
N4 Cu1 2.037(4) . ?
C27 C28 1.378(7) . ?
O5 N5 1.267(5) . ?
O6 N5 1.246(5) . ?
O7 N5 1.234(5) . ?
C29 Cl3 1.730(7) . ?
C29 Cl1 1.748(7) . ?
C29 Cl2 1.767(7) . ?
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
C10 C1 C2 C3 2.0(7) . . . . ?
C10 C1 C2 C11 -177.1(4) . . . . ?
C1 C2 C3 C8 -1.4(7) . . . . ?
C11 C2 C3 C8 177.7(4) . . . . ?
C1 C2 C3 C4 178.9(4) . . . . ?
C11 C2 C3 C4 -2.0(7) . . . . ?
C8 C3 C4 C5 1.3(7) . . . . ?
C2 C3 C4 C5 -179.0(4) . . . . ?
C8 C3 C4 C12 -176.5(4) . . . . ?
C2 C3 C4 C12 3.2(7) . . . . ?
C3 C4 C5 C6 -1.3(7) . . . . ?
C12 C4 C5 C6 176.5(4) . . . . ?
C4 C5 C6 C7 0.5(7) . . . . ?
C5 C6 C7 C8 0.3(7) . . . . ?
C5 C6 C7 C14 -179.4(4) . . . . ?
C4 C3 C8 C9 179.1(4) . . . . ?
C2 C3 C8 C9 -0.6(7) . . . . ?
C4 C3 C8 C7 -0.5(7) . . . . ?
C2 C3 C8 C7 179.8(4) . . . . ?
C6 C7 C8 C3 -0.3(7) . . . . ?
C14 C7 C8 C3 179.4(4) . . . . ?
C6 C7 C8 C9 -179.9(4) . . . . ?
C14 C7 C8 C9 -0.2(7) . . . . ?
C3 C8 C9 C10 2.0(7) . . . . ?
C7 C8 C9 C10 -178.4(4) . . . . ?
C3 C8 C9 C13 -175.8(4) . . . . ?
C7 C8 C9 C13 3.8(7) . . . . ?
C8 C9 C10 C1 -1.4(7) . . . . ?
C13 C9 C10 C1 176.3(4) . . . . ?
C2 C1 C10 C9 -0.6(7) . . . . ?
C1 C2 C11 O1 -1.2(7) . . . . ?
C3 C2 C11 O1 179.7(5) . . . . ?
C1 C2 C11 N1 177.0(4) . . . . ?
C3 C2 C11 N1 -2.1(7) . . . . ?
C5 C4 C12 O2 1.7(7) . . . . ?
C3 C4 C12 O2 179.5(5) . . . . ?
C5 C4 C12 N1 -178.1(4) . . . . ?
C3 C4 C12 N1 -0.3(7) . . . . ?
O2 C12 N1 C11 176.0(4) . . . . ?
C4 C12 N1 C11 -4.2(7) . . . . ?
O2 C12 N1 C15 -5.1(7) . . . . ?
C4 C12 N1 C15 174.7(4) . . . . ?
O1 C11 N1 C12 -176.4(5) . . . . ?
C2 C11 N1 C12 5.3(7) . . . . ?
O1 C11 N1 C15 4.7(7) . . . . ?
C2 C11 N1 C15 -173.5(4) . . . . ?
C10 C9 C13 O3 -2.1(8) . . . . ?
C8 C9 C13 O3 175.6(5) . . . . ?
C10 C9 C13 N2 179.1(4) . . . . ?
C8 C9 C13 N2 -3.1(6) . . . . ?
C6 C7 C14 O4 -4.0(7) . . . . ?
C8 C7 C14 O4 176.3(4) . . . . ?
C6 C7 C14 N2 175.7(4) . . . . ?
C8 C7 C14 N2 -4.1(6) . . . . ?
O4 C14 N2 C13 -175.5(4) . . . . ?
C7 C14 N2 C13 4.9(7) . . . . ?
O4 C14 N2 C22 6.9(7) . . . . ?
C7 C14 N2 C22 -172.7(4) . . . . ?
O3 C13 N2 C14 179.8(4) . . . . ?
C9 C13 N2 C14 -1.4(7) . . . . ?
O3 C13 N2 C22 -2.6(7) . . . . ?
C9 C13 N2 C22 176.2(4) . . . . ?
C12 N1 C15 C16 -79.2(5) . . . . ?
C11 N1 C15 C16 99.8(5) . . . . ?
N1 C15 C16 C17 -175.6(4) . . . . ?
C15 C16 C17 C18 58.0(6) . . . . ?
C15 C16 C17 C21 -124.6(5) . . . . ?
C21 C17 C18 C19 -1.6(7) . . . . ?
C16 C17 C18 C19 175.9(5) . . . . ?
C17 C18 C19 N3 0.9(8) . . . . ?
C18 C19 N3 C20 -0.4(7) . . . . ?
C18 C19 N3 Cu1 179.6(4) . . . 1_564 ?
C19 N3 C20 C21 0.6(7) . . . . ?
Cu1 N3 C20 C21 -179.4(4) 1_564 . . . ?
N3 C20 C21 C17 -1.4(8) . . . . ?
C18 C17 C21 C20 1.8(7) . . . . ?
C16 C17 C21 C20 -175.7(5) . . . . ?
C14 N2 C22 C23 -106.6(5) . . . . ?
C13 N2 C22 C23 75.5(5) . . . . ?
N2 C22 C23 C24 53.1(5) . . . . ?
C22 C23 C24 C28 -104.6(5) . . . . ?
C22 C23 C24 C25 74.9(6) . . . . ?
C28 C24 C25 C26 0.1(7) . . . . ?
C23 C24 C25 C26 -179.5(4) . . . . ?
C24 C25 C26 N4 1.7(7) . . . . ?
C25 C26 N4 C27 -2.1(7) . . . . ?
C25 C26 N4 Cu1 -179.7(4) . . . . ?
C26 N4 C27 C28 0.9(7) . . . . ?
Cu1 N4 C27 C28 178.5(4) . . . . ?
N4 C27 C28 C24 0.8(8) . . . . ?
C25 C24 C28 C27 -1.2(7) . . . . ?
C23 C24 C28 C27 178.3(5) . . . . ?
