#------------------------------------------------------------------------------
#$Date: 2020-08-26 04:26:01 +0300 (Wed, 26 Aug 2020) $
#$Revision: 255642 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/11/7241113.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_7241113
loop_
_publ_author_name
'Chen, Xiaoli'
'Shang, Lu'
'Cui, Huali'
'Yang, Hua'
'Liu, Ling'
'Ren, Yixia'
'Wang, Jijiang'
_publ_section_title
;
 Four novel Zn(ii)/Cu(ii) coordination polymers containing hydroxyl
 groups: synthesis, crystal structure, luminescence sensing and
 photocatalysis properties
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00950D
_journal_year                    2020
_chemical_formula_sum            'C23 H21 Cu2 N5 O11'
_chemical_formula_weight         670.53
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.512(7)
_cell_angle_beta                 102.830(6)
_cell_angle_gamma                96.382(6)
_cell_formula_units_Z            2
_cell_length_a                   9.2751(19)
_cell_length_b                   9.8616(17)
_cell_length_c                   14.100(3)
_cell_measurement_reflns_used    8540
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.845
_cell_measurement_theta_min      2.475
_cell_volume                     1240.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku Saturn724 CCD'
_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  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            47427
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    1.789
_exptl_absorpt_correction_T_max  0.7051
_exptl_absorpt_correction_T_min  0.5652
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.796
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.285
_refine_diff_density_min         -0.497
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         4352
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0284
_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)+(0.0438P)²+0.7774P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0725
_reflns_number_gt                3810
_reflns_number_total             4352
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0ce00950d3.cif
_cod_data_source_block           111
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7241113
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.65976(3) 0.78763(3) 0.90744(2) 0.01513(9) Uani 1 1 d . . .
Cu2 Cu 0.40611(3) 0.54740(3) 0.75368(2) 0.01863(9) Uani 1 1 d . . .
O5 O 0.7741(2) -0.02528(17) 0.93761(13) 0.0283(4) Uani 1 1 d . . .
O1 O 0.78720(19) 0.63971(16) 0.92137(14) 0.0270(4) Uani 1 1 d . . .
O7 O 0.5091(2) 0.7332(2) 0.79065(15) 0.0303(5) Uani 1 1 d . . .
O3 O 1.25005(19) 0.51013(17) 0.82934(13) 0.0273(4) Uani 1 1 d . . .
O2 O 0.58776(19) 0.48206(18) 0.85902(15) 0.0301(4) Uani 1 1 d . . .
O6 O 0.8224(3) -0.06216(19) 0.79157(16) 0.0449(6) Uani 1 1 d . . .
O4 O 1.2364(2) 0.2975(2) 0.76091(19) 0.0490(6) Uani 1 1 d . . .
N5 N 0.2530(2) 0.6008(2) 0.62663(17) 0.0315(5) Uani 1 1 d . . .
N1 N 0.6408(2) 0.22645(19) 0.91450(15) 0.0186(4) Uani 1 1 d . . .
N3 N 0.4567(2) 0.2014(2) 0.98570(16) 0.0244(5) Uani 1 1 d . . .
N4 N 0.4390(2) 0.4098(2) 0.63975(17) 0.0295(5) Uani 1 1 d . . .
O9 O 0.8737(4) 0.0066(3) 0.6061(2) 0.0774(9) Uani 1 1 d G . .
H9A H 0.8497 -0.0236 0.6558 0.116 Uiso 1 1 d G . .
H9B H 0.8193 -0.0398 0.5541 0.116 Uiso 1 1 d G . .
N2 N 0.5344(2) 0.1319(2) 0.85250(16) 0.0273(5) Uani 1 1 d . . .
O10 O 0.4261(3) -0.0491(2) 0.67525(19) 0.0586(7) Uani 1 1 d G . .
H10A H 0.3397 -0.0267 0.6549 0.088 Uiso 1 1 d GD . .
H10B H 0.4778 0.0127 0.7197 0.088 Uiso 1 1 d G . .
O11 O 0.1747(3) 0.0854(3) 0.6067(2) 0.0621(7) Uani 1 1 d G . .
H11A H 0.1102 0.0346 0.6265 0.093 Uiso 1 1 d GD . .
H11B H 0.2052 0.1582 0.6469 0.093 Uiso 1 1 d G . .
C4 C 1.0497(3) 0.3465(2) 0.84425(17) 0.0175(5) Uani 1 1 d . . .
C1 C 0.7240(3) 0.5180(2) 0.89180(18) 0.0192(5) Uani 1 1 d . . .
C3 C 0.9660(2) 0.4456(2) 0.87098(17) 0.0169(5) Uani 1 1 d . . .
H3 H 1.0034 0.5382 0.8763 0.020 Uiso 1 1 calc R . .
C6 C 0.8653(3) 0.1678(2) 0.86722(18) 0.0201(5) Uani 1 1 d . . .
C10 C 1.1904(3) 0.3860(3) 0.80964(18) 0.0218(5) Uani 1 1 d . . .
C5 C 0.9972(3) 0.2085(2) 0.84077(18) 0.0214(5) Uani 1 1 d . . .
H5 H 1.0514 0.1421 0.8203 0.026 Uiso 1 1 calc R . .
C7 C 0.7805(3) 0.2684(2) 0.89129(17) 0.0173(5) Uani 1 1 d . . .
C2 C 0.8271(2) 0.4086(2) 0.88997(17) 0.0158(5) Uani 1 1 d . . .
C11 C 0.8163(3) 0.0148(2) 0.8637(2) 0.0240(6) Uani 1 1 d . . .
O8 O 0.8687(4) 0.1421(5) 1.1347(3) 0.1081(12) Uani 1 1 d G . .
H8A H 0.8745 0.0909 1.0841 0.162 Uiso 1 1 d G . .
H8B H 0.9548 0.1624 1.1731 0.162 Uiso 1 1 d G . .
C8 C 0.5930(3) 0.2661(2) 0.99338(19) 0.0225(5) Uani 1 1 d . . .
H8 H 0.6466 0.3295 1.0459 0.027 Uiso 1 1 calc R . .
C9 C 0.4264(3) 0.1197(3) 0.8984(2) 0.0266(6) Uani 1 1 d . . .
H9 H 0.3374 0.0609 0.8737 0.032 Uiso 1 1 calc R . .
C23 C 0.3517(3) 0.4194(3) 0.5499(2) 0.0321(7) Uani 1 1 d . A .
C21 C 0.1670(3) 0.7003(3) 0.6217(3) 0.0436(8) Uani 1 1 d . A .
H21 H 0.1642 0.7530 0.6794 0.052 Uiso 1 1 calc R . .
C16B C 0.253(2) 0.360(2) 0.3710(11) 0.042(4) Uani 0.71(5) 1 d P A 2
H16B H 0.2523 0.3049 0.3135 0.051 Uiso 0.71(5) 1 calc PR A 2
C22 C 0.2551(3) 0.5233(3) 0.5427(2) 0.0321(7) Uani 1 1 d . A .
C15 C 0.3550(4) 0.3335(3) 0.4657(2) 0.0458(9) Uani 1 1 d . . .
C14 C 0.4514(4) 0.2335(4) 0.4766(3) 0.0587(11) Uani 1 1 d . A .
H14 H 0.4567 0.1743 0.4224 0.070 Uiso 1 1 calc R . .
C13 C 0.5378(4) 0.2230(3) 0.5670(3) 0.0557(10) Uani 1 1 d . . .
H13 H 0.6017 0.1566 0.5750 0.067 Uiso 1 1 calc R A .
C12 C 0.5286(4) 0.3139(3) 0.6474(3) 0.0435(8) Uani 1 1 d . A .
H12 H 0.5879 0.3065 0.7087 0.052 Uiso 1 1 calc R . .
C18 C 0.1682(4) 0.5426(3) 0.4507(2) 0.0474(9) Uani 1 1 d . . .
C20 C 0.0810(4) 0.7290(4) 0.5336(3) 0.0568(10) Uani 1 1 d . . .
H20 H 0.0240 0.8009 0.5327 0.068 Uiso 1 1 calc R A .
C17B C 0.164(2) 0.4571(19) 0.3659(10) 0.048(3) Uani 0.71(5) 1 d P A 2
H17B H 0.1013 0.4678 0.3067 0.058 Uiso 0.71(5) 1 calc PR A 2
C19 C 0.0814(4) 0.6509(4) 0.4494(3) 0.0592(11) Uani 1 1 d . A .
H19 H 0.0238 0.6689 0.3903 0.071 Uiso 1 1 calc R . .
H7 H 0.478(4) 0.785(3) 0.759(2) 0.041(10) Uiso 1 1 d . . .
C17A C 0.204(6) 0.434(5) 0.369(3) 0.048(3) Uani 0.29(5) 1 d P A 1
H17A H 0.1597 0.4431 0.3042 0.058 Uiso 0.29(5) 1 calc PR A 1
C16A C 0.290(4) 0.329(4) 0.381(3) 0.042(4) Uani 0.29(5) 1 d P A 1
H16A H 0.2972 0.2639 0.3304 0.051 Uiso 0.29(5) 1 calc PR A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cu Cu 0.3201 1.2651 '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'
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
O7 Cu1 O1 106.69(8) . . ?
O7 Cu1 O5 122.00(8) . 1_565 ?
O1 Cu1 O5 113.47(8) . 1_565 ?
O7 Cu1 N3 103.61(9) . 2_667 ?
O1 Cu1 N3 111.36(8) . 2_667 ?
O5 Cu1 N3 98.81(8) 1_565 2_667 ?
O7 Cu2 O3 111.08(8) . 1_455 ?
O7 Cu2 N4 124.36(9) . . ?
O3 Cu2 N4 124.31(8) 1_455 . ?
O7 Cu2 N5 93.54(9) . . ?
O3 Cu2 N5 94.99(8) 1_455 . ?
N4 Cu2 N5 77.85(9) . . ?
O7 Cu2 O2 87.43(8) . . ?
O3 Cu2 O2 95.97(7) 1_455 . ?
N4 Cu2 O2 91.59(8) . . ?
N5 Cu2 O2 167.84(8) . . ?
C11 O5 Cu1 112.14(16) . 1_545 ?
C1 O1 Cu1 117.13(15) . . ?
Cu1 O7 Cu2 123.17(11) . . ?
C10 O3 Cu2 110.64(15) . 1_655 ?
C1 O2 Cu2 137.41(16) . . ?
C21 N5 C22 118.5(3) . . ?
C21 N5 Cu2 128.8(2) . . ?
C22 N5 Cu2 112.65(19) . . ?
C8 N1 N2 109.75(19) . . ?
C8 N1 C7 129.0(2) . . ?
N2 N1 C7 121.22(19) . . ?
C8 N3 C9 103.9(2) . . ?
C8 N3 Cu1 125.18(18) . 2_667 ?
C9 N3 Cu1 130.54(17) . 2_667 ?
C12 N4 C23 118.3(3) . . ?
C12 N4 Cu2 127.2(2) . . ?
C23 N4 Cu2 114.39(18) . . ?
C9 N2 N1 103.4(2) . . ?
C5 C4 C3 119.5(2) . . ?
C5 C4 C10 119.1(2) . . ?
C3 C4 C10 121.1(2) . . ?
O2 C1 O1 126.0(2) . . ?
O2 C1 C2 117.9(2) . . ?
O1 C1 C2 116.0(2) . . ?
C4 C3 C2 121.0(2) . . ?
C5 C6 C7 118.7(2) . . ?
C5 C6 C11 118.2(2) . . ?
C7 C6 C11 123.1(2) . . ?
O4 C10 O3 123.8(2) . . ?
O4 C10 C4 118.5(2) . . ?
O3 C10 C4 117.6(2) . . ?
C6 C5 C4 121.0(2) . . ?
C6 C7 C2 121.3(2) . . ?
C6 C7 N1 118.9(2) . . ?
C2 C7 N1 119.8(2) . . ?
C3 C2 C7 118.0(2) . . ?
C3 C2 C1 118.2(2) . . ?
C7 C2 C1 123.0(2) . . ?
O6 C11 O5 124.2(2) . . ?
O6 C11 C6 118.5(2) . . ?
O5 C11 C6 117.3(2) . . ?
N1 C8 N3 109.5(2) . . ?
N2 C9 N3 113.5(2) . . ?
N4 C23 C15 122.5(3) . . ?
N4 C23 C22 117.8(2) . . ?
C15 C23 C22 119.7(3) . . ?
N5 C21 C20 122.7(3) . . ?
C17B C16B C15 123.6(13) . . ?
N5 C22 C18 122.6(3) . . ?
N5 C22 C23 117.3(2) . . ?
C18 C22 C23 120.2(3) . . ?
C16A C15 C23 132(2) . . ?
C16A C15 C14 111(2) . . ?
C23 C15 C14 117.5(3) . . ?
C16A C15 C16B 16.1(19) . . ?
C23 C15 C16B 115.8(8) . . ?
C14 C15 C16B 126.7(8) . . ?
C13 C14 C15 119.9(3) . . ?
C14 C13 C12 119.0(3) . . ?
N4 C12 C13 122.7(3) . . ?
C17B C18 C19 121.3(9) . . ?
C17B C18 C22 122.0(9) . . ?
C19 C18 C22 116.6(3) . . ?
C17B C18 C17A 14.9(15) . . ?
C19 C18 C17A 135.4(18) . . ?
C22 C18 C17A 107.9(18) . . ?
C19 C20 C21 119.1(3) . . ?
C16B C17B C18 118.6(12) . . ?
C20 C19 C18 120.5(3) . . ?
C16A C17A C18 129(4) . . ?
C15 C16A C17A 111(4) . . ?
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 O7 1.896(2) . ?
Cu1 O1 1.9745(17) . ?
Cu1 O5 1.9808(17) 1_565 ?
Cu1 N3 2.041(2) 2_667 ?
Cu2 O7 1.9357(19) . ?
Cu2 O3 2.0029(17) 1_455 ?
Cu2 N4 2.099(2) . ?
Cu2 N5 2.173(2) . ?
Cu2 O2 2.1848(18) . ?
O5 C11 1.273(3) . ?
O5 Cu1 1.9808(17) 1_545 ?
O1 C1 1.264(3) . ?
O3 C10 1.264(3) . ?
O3 Cu2 2.0028(17) 1_655 ?
O2 C1 1.243(3) . ?
O6 C11 1.225(3) . ?
O4 C10 1.230(3) . ?
N5 C21 1.329(4) . ?
N5 C22 1.351(4) . ?
N1 C8 1.327(3) . ?
N1 N2 1.365(3) . ?
N1 C7 1.432(3) . ?
N3 C8 1.328(3) . ?
N3 C9 1.359(3) . ?
N3 Cu1 2.041(2) 2_667 ?
N4 C12 1.324(4) . ?
N4 C23 1.362(4) . ?
N2 C9 1.309(3) . ?
C4 C5 1.386(3) . ?
C4 C3 1.388(3) . ?
C4 C10 1.516(3) . ?
C1 C2 1.521(3) . ?
C3 C2 1.390(3) . ?
C6 C5 1.385(3) . ?
C6 C7 1.395(3) . ?
C6 C11 1.520(3) . ?
C7 C2 1.405(3) . ?
C23 C15 1.399(4) . ?
C23 C22 1.430(4) . ?
C21 C20 1.391(5) . ?
C16B C17B 1.326(14) . ?
C16B C15 1.52(2) . ?
C22 C18 1.409(4) . ?
C15 C16A 1.21(4) . ?
C15 C14 1.400(5) . ?
C14 C13 1.366(6) . ?
C13 C12 1.400(5) . ?
C18 C17B 1.387(18) . ?
C18 C19 1.406(5) . ?
C18 C17A 1.62(5) . ?
C20 C19 1.353(6) . ?
C17A C16A 1.37(4) . ?
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
O7 Cu1 O1 C1 -34.3(2) . . . . ?
O5 Cu1 O1 C1 -171.45(17) 1_565 . . . ?
N3 Cu1 O1 C1 78.11(19) 2_667 . . . ?
O1 Cu1 O7 Cu2 42.29(14) . . . . ?
O5 Cu1 O7 Cu2 174.95(10) 1_565 . . . ?
N3 Cu1 O7 Cu2 -75.35(14) 2_667 . . . ?
O3 Cu2 O7 Cu1 77.75(14) 1_455 . . . ?
N4 Cu2 O7 Cu1 -107.83(14) . . . . ?
N5 Cu2 O7 Cu1 174.48(13) . . . . ?
O2 Cu2 O7 Cu1 -17.66(13) . . . . ?
O7 Cu2 O2 C1 -32.0(3) . . . . ?
O3 Cu2 O2 C1 -142.9(3) 1_455 . . . ?
N4 Cu2 O2 C1 92.3(3) . . . . ?
N5 Cu2 O2 C1 62.9(5) . . . . ?
O7 Cu2 N5 C21 -52.1(3) . . . . ?
O3 Cu2 N5 C21 59.4(2) 1_455 . . . ?
N4 Cu2 N5 C21 -176.5(3) . . . . ?
O2 Cu2 N5 C21 -146.4(3) . . . . ?
O7 Cu2 N5 C22 124.47(18) . . . . ?
O3 Cu2 N5 C22 -123.99(18) 1_455 . . . ?
N4 Cu2 N5 C22 0.07(17) . . . . ?
O2 Cu2 N5 C22 30.2(4) . . . . ?
O7 Cu2 N4 C12 95.8(2) . . . . ?
O3 Cu2 N4 C12 -90.5(2) 1_455 . . . ?
N5 Cu2 N4 C12 -178.3(2) . . . . ?
O2 Cu2 N4 C12 7.8(2) . . . . ?
O7 Cu2 N4 C23 -87.44(19) . . . . ?
O3 Cu2 N4 C23 86.25(19) 1_455 . . . ?
N5 Cu2 N4 C23 -1.50(17) . . . . ?
O2 Cu2 N4 C23 -175.42(17) . . . . ?
C8 N1 N2 C9 0.0(3) . . . . ?
C7 N1 N2 C9 179.4(2) . . . . ?
Cu2 O2 C1 O1 46.7(4) . . . . ?
Cu2 O2 C1 C2 -128.6(2) . . . . ?
Cu1 O1 C1 O2 -3.7(3) . . . . ?
Cu1 O1 C1 C2 171.66(15) . . . . ?
C5 C4 C3 C2 -3.0(4) . . . . ?
C10 C4 C3 C2 171.2(2) . . . . ?
Cu2 O3 C10 O4 8.9(3) 1_655 . . . ?
Cu2 O3 C10 C4 -168.05(16) 1_655 . . . ?
C5 C4 C10 O4 15.0(4) . . . . ?
C3 C4 C10 O4 -159.2(3) . . . . ?
C5 C4 C10 O3 -167.9(2) . . . . ?
C3 C4 C10 O3 17.9(3) . . . . ?
C7 C6 C5 C4 4.3(4) . . . . ?
C11 C6 C5 C4 -178.7(2) . . . . ?
C3 C4 C5 C6 -2.5(4) . . . . ?
C10 C4 C5 C6 -176.9(2) . . . . ?
C5 C6 C7 C2 -0.6(4) . . . . ?
C11 C6 C7 C2 -177.5(2) . . . . ?
C5 C6 C7 N1 177.3(2) . . . . ?
C11 C6 C7 N1 0.4(4) . . . . ?
C8 N1 C7 C6 126.2(3) . . . . ?
N2 N1 C7 C6 -53.0(3) . . . . ?
C8 N1 C7 C2 -55.9(3) . . . . ?
N2 N1 C7 C2 124.9(2) . . . . ?
C4 C3 C2 C7 6.5(3) . . . . ?
C4 C3 C2 C1 -163.9(2) . . . . ?
C6 C7 C2 C3 -4.7(3) . . . . ?
N1 C7 C2 C3 177.5(2) . . . . ?
C6 C7 C2 C1 165.1(2) . . . . ?
N1 C7 C2 C1 -12.7(3) . . . . ?
O2 C1 C2 C3 143.7(2) . . . . ?
O1 C1 C2 C3 -32.0(3) . . . . ?
O2 C1 C2 C7 -26.1(3) . . . . ?
O1 C1 C2 C7 158.2(2) . . . . ?
Cu1 O5 C11 O6 -18.4(3) 1_545 . . . ?
Cu1 O5 C11 C6 163.11(17) 1_545 . . . ?
C5 C6 C11 O6 -45.6(3) . . . . ?
C7 C6 C11 O6 131.3(3) . . . . ?
C5 C6 C11 O5 133.0(2) . . . . ?
C7 C6 C11 O5 -50.1(3) . . . . ?
N2 N1 C8 N3 -0.4(3) . . . . ?
C7 N1 C8 N3 -179.7(2) . . . . ?
C9 N3 C8 N1 0.6(3) . . . . ?
Cu1 N3 C8 N1 174.18(16) 2_667 . . . ?
N1 N2 C9 N3 0.4(3) . . . . ?
C8 N3 C9 N2 -0.6(3) . . . . ?
Cu1 N3 C9 N2 -173.71(18) 2_667 . . . ?
C12 N4 C23 C15 -1.1(4) . . . . ?
Cu2 N4 C23 C15 -178.2(2) . . . . ?
C12 N4 C23 C22 179.8(2) . . . . ?
Cu2 N4 C23 C22 2.7(3) . . . . ?
C22 N5 C21 C20 -0.9(4) . . . . ?
Cu2 N5 C21 C20 175.6(2) . . . . ?
C21 N5 C22 C18 -1.0(4) . . . . ?
Cu2 N5 C22 C18 -178.0(2) . . . . ?
C21 N5 C22 C23 178.3(2) . . . . ?
Cu2 N5 C22 C23 1.3(3) . . . . ?
N4 C23 C22 N5 -2.8(4) . . . . ?
C15 C23 C22 N5 178.1(2) . . . . ?
N4 C23 C22 C18 176.6(2) . . . . ?
C15 C23 C22 C18 -2.5(4) . . . . ?
N4 C23 C15 C16A -178(2) . . . . ?
C22 C23 C15 C16A 1(2) . . . . ?
N4 C23 C15 C14 0.9(4) . . . . ?
C22 C23 C15 C14 180.0(3) . . . . ?
N4 C23 C15 C16B -178.7(5) . . . . ?
C22 C23 C15 C16B 0.4(6) . . . . ?
C17B C16B C15 C16A -177(9) . . . . ?
C17B C16B C15 C23 -0.2(16) . . . . ?
C17B C16B C15 C14 -179.7(12) . . . . ?
C16A C15 C14 C13 178.7(19) . . . . ?
C23 C15 C14 C13 -0.1(5) . . . . ?
C16B C15 C14 C13 179.4(6) . . . . ?
C15 C14 C13 C12 -0.4(5) . . . . ?
C23 N4 C12 C13 0.5(4) . . . . ?
Cu2 N4 C12 C13 177.2(2) . . . . ?
C14 C13 C12 N4 0.2(5) . . . . ?
N5 C22 C18 C17B -176.0(9) . . . . ?
C23 C22 C18 C17B 4.6(9) . . . . ?
N5 C22 C18 C19 2.1(4) . . . . ?
C23 C22 C18 C19 -177.2(3) . . . . ?
N5 C22 C18 C17A 178.7(18) . . . . ?
C23 C22 C18 C17A -0.6(19) . . . . ?
N5 C21 C20 C19 1.6(5) . . . . ?
C15 C16B C17B C18 2(2) . . . . ?
C19 C18 C17B C16B 177.6(11) . . . . ?
C22 C18 C17B C16B -4.3(19) . . . . ?
C17A C18 C17B C16B 15(8) . . . . ?
C21 C20 C19 C18 -0.4(5) . . . . ?
C17B C18 C19 C20 176.8(9) . . . . ?
C22 C18 C19 C20 -1.4(5) . . . . ?
C17A C18 C19 C20 -177(2) . . . . ?
C17B C18 C17A C16A -156(14) . . . . ?
C19 C18 C17A C16A -178(4) . . . . ?
C22 C18 C17A C16A 6(6) . . . . ?
C23 C15 C16A C17A 3(5) . . . . ?
C14 C15 C16A C17A -175(3) . . . . ?
C16B C15 C16A C17A 7(5) . . . . ?
C18 C17A C16A C15 -7(7) . . . . ?
