#------------------------------------------------------------------------------
#$Date: 2019-11-17 11:46:43 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229683 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/79/7047985.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_7047985
loop_
_publ_author_name
'Guo, Xiaoqing'
'Huang, Chao'
'Yang, Haiyan'
'Shao, Zhichao'
'Gao, Kuan'
'Qin, Na'
'Li, Gaoxiang'
'Wu, Jie'
'Hou, Hongwei'
_publ_section_title
;
 Cu(i) coordination polymers (CPs) as tandem catalysts for three-component
 sequential click/alkynylation cycloaddition reaction with regiocontrol.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16895
_journal_page_last               16901
_journal_paper_doi               10.1039/c8dt04067b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C48 H36 Cu3 I3 N12 O6'
_chemical_formula_sum            'C48 H36 Cu3 I3 N12 O6'
_chemical_formula_weight         1448.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2018-10-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-10-25 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.00(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.770(3)
_cell_length_b                   11.093(2)
_cell_length_c                   15.890(3)
_cell_measurement_reflns_used    6090
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.9564
_cell_measurement_theta_min      1.8357
_cell_volume                     2476.1(9)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      293.1500
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27048
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.498
_diffrn_reflns_theta_min         2.277
_exptl_absorpt_coefficient_mu    3.209
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.6842
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.942
_exptl_crystal_description       prism
_exptl_crystal_F_000             1404
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.126
_refine_diff_density_min         -1.164
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         5134
_refine_ls_number_restraints     69
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0681
_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)+(0.0540P)²+10.2231P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1491
_refine_ls_wR_factor_ref         0.1536
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4706
_reflns_number_total             5134
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt04067b2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7047985--7047986.cif.'
_cod_original_cell_volume        2476.1(10)
_cod_database_code               7047985
_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_max   0.761
_shelx_estimated_absorpt_t_min   0.662
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2. Restrained distances
 C19-C11 \\sim C19A-C11
 with sigma of 0.01
 O3-C19 \\sim O3A-C19A
 with sigma of 0.01
 N5-C19 \\sim N5A-C19A \\sim N5A-C21 \\sim N5-C21
 with sigma of 0.01
3. Rigid bond restraints
 O3, C19, N5A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C19A \\sim C19: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02
O3 \\sim O3A: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
O3 \\sim C19 \\sim N5A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
N5A \\sim N5: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(N5A) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(O3A) \\sim Ueq, Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Sof(N5A)=Sof(H5A)=Sof(O3A)=Sof(C19A)=1-FVAR(1)
 Sof(O3)=Sof(C19)=Sof(N5)=Sof(H5B)=FVAR(1)
6.a Riding coordinates:
 N5A(H5A), N5(H5B)
6.b Aromatic/amide H refined with riding coordinates:
 N2(H2), N4(H4), C23(H23), C1(H1), C2(H2A), C3(H3), C5(H5), C8(H8), C10(H10),
 C12(H12), C14(H14), C16(H16), C17(H17), C18(H18), C20(H20), C22(H22), C24(H24)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_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
Cu1 Cu 0.000000 -0.14455(13) 0.250000 0.0444(3) Uani 1 2 d S T P . .
Cu2 Cu 0.08212(9) -0.41164(12) 0.24137(8) 0.0727(4) Uani 1 1 d . . . . .
I1 I 0.12152(3) -0.27030(4) 0.37638(3) 0.04372(17) Uani 1 1 d . . . . .
I2 I 0.000000 -0.61394(7) 0.250000 0.0595(2) Uani 1 2 d S T P . .
O1 O 0.2462(4) -0.0759(5) -0.0555(3) 0.0582(15) Uani 1 1 d . . . . .
O2 O 0.6393(3) -0.0726(4) 0.2257(3) 0.0391(11) Uani 1 1 d . . . . .
O3 O 0.5315(6) 0.3090(9) -0.0677(7) 0.062(3) Uani 0.626(12) 1 d D U . A 1
N1 N 0.1379(4) -0.3759(5) 0.1450(4) 0.0408(14) Uani 1 1 d . . . . .
N2 N 0.2760(4) -0.1342(5) 0.0868(4) 0.0365(13) Uani 1 1 d . . . . .
H2 H 0.304301 -0.112552 0.140456 0.044 Uiso 1 1 calc R . . . .
N3 N 0.9285(4) -0.0217(5) 0.3050(4) 0.0360(12) Uani 1 1 d . . . . .
N4 N 0.6927(4) 0.1214(5) 0.2371(4) 0.0349(12) Uani 1 1 d . . . . .
H4 H 0.675988 0.195619 0.226744 0.042 Uiso 1 1 calc R . . . .
N5A N 0.3940(14) 0.3166(12) -0.1205(9) 0.038(4) Uani 0.374(12) 1 d D U . A 2
H5A H 0.349508 0.258624 -0.161248 0.045 Uiso 0.374(12) 1 d R . . A 2
C23 C 0.3810(6) 0.4764(8) -0.3186(5) 0.0520(19) Uani 1 1 d . . . . .
H23 H 0.392020 0.457536 -0.371632 0.062 Uiso 1 1 calc R . . . .
C1 C 0.1162(6) -0.4419(8) 0.0720(5) 0.053(2) Uani 1 1 d . . . . .
H1 H 0.082357 -0.512972 0.070690 0.064 Uiso 1 1 calc R . . . .
C2 C 0.1404(6) -0.4117(8) -0.0013(6) 0.058(2) Uani 1 1 d . . . . .
H2A H 0.122823 -0.461473 -0.050805 0.069 Uiso 1 1 calc R . . . .
C3 C 0.1913(6) -0.3066(7) -0.0021(5) 0.051(2) Uani 1 1 d . . . . .
H3 H 0.207466 -0.283935 -0.051990 0.062 Uiso 1 1 calc R . . . .
C4 C 0.2172(5) -0.2366(6) 0.0741(4) 0.0339(14) Uani 1 1 d . . . . .
C5 C 0.1879(5) -0.2752(6) 0.1459(5) 0.0372(15) Uani 1 1 d . . . . .
H5 H 0.204098 -0.228112 0.196786 0.045 Uiso 1 1 calc R . . . .
C6 C 0.2920(5) -0.0668(6) 0.0218(4) 0.0387(15) Uani 1 1 d . . . . .
C7 C 0.3740(4) 0.0210(6) 0.0500(4) 0.0325(14) Uani 1 1 d . . . . .
C8 C 0.4570(4) -0.0033(6) 0.1195(4) 0.0329(14) Uani 1 1 d . . . . .
H8 H 0.459823 -0.070484 0.155271 0.040 Uiso 1 1 calc R . . . .
C9 C 0.5357(4) 0.0732(6) 0.1352(4) 0.0323(14) Uani 1 1 d . . . . .
C10 C 0.5314(5) 0.1725(7) 0.0809(5) 0.0411(16) Uani 1 1 d . . . . .
H10 H 0.584001 0.222820 0.090777 0.049 Uiso 1 1 calc R . . . .
C11 C 0.4484(5) 0.1975(6) 0.0113(5) 0.0392(16) Uani 1 1 d D . . . .
C12 C 0.3709(5) 0.1217(6) -0.0036(5) 0.0369(15) Uani 1 1 d . . . . .
H12 H 0.315866 0.138012 -0.049858 0.044 Uiso 1 1 calc R . . . .
C13 C 0.6269(5) 0.0351(6) 0.2036(4) 0.0328(14) Uani 1 1 d . . . . .
C14 C 0.8384(4) 0.0071(6) 0.2612(4) 0.0333(14) Uani 1 1 d . . . . .
H14 H 0.807895 -0.034939 0.209616 0.040 Uiso 1 1 calc R . . . .
C15 C 0.7877(4) 0.0961(6) 0.2884(4) 0.0317(13) Uani 1 1 d . . . . .
C16 C 0.8337(5) 0.1606(7) 0.3638(5) 0.0503(19) Uani 1 1 d . . . . .
H16 H 0.802409 0.221542 0.384047 0.060 Uiso 1 1 calc R . . . .
C17 C 0.9276(6) 0.1323(9) 0.4084(6) 0.061(2) Uani 1 1 d . . . . .
H17 H 0.960447 0.174786 0.459100 0.073 Uiso 1 1 calc R . . . .
C18 C 0.9720(5) 0.0415(8) 0.3777(5) 0.0513(19) Uani 1 1 d . . . . .
H18 H 1.034949 0.023253 0.408785 0.062 Uiso 1 1 calc R . . . .
C19 C 0.4561(7) 0.2870(11) -0.0587(8) 0.038(3) Uani 0.626(12) 1 d D U . A 1
C20 C 0.3880(5) 0.3889(7) -0.2550(6) 0.049(2) Uani 1 1 d . . . . .
H20 H 0.403892 0.310216 -0.265093 0.059 Uiso 1 1 calc R . . . .
C21 C 0.3718(5) 0.4177(6) -0.1776(5) 0.0437(17) Uani 1 1 d D . . . .
C22 C 0.3485(7) 0.5362(8) -0.1674(6) 0.063(2) Uani 1 1 d . . . . .
H22 H 0.337301 0.557344 -0.114854 0.076 Uiso 1 1 calc R . . . .
N6 N 0.3410(7) 0.6224(6) -0.2277(5) 0.068(2) Uani 1 1 d . . . . .
C24 C 0.3576(6) 0.5915(7) -0.3020(5) 0.052(2) Uani 1 1 d . . . . .
H24 H 0.353138 0.650333 -0.344813 0.063 Uiso 1 1 calc R . . . .
O3A O 0.4973(14) 0.4081(15) -0.0040(12) 0.085(6) Uani 0.374(12) 1 d D U . A 2
C19A C 0.4488(14) 0.3212(12) -0.0307(11) 0.037(4) Uani 0.374(12) 1 d D U . A 2
N5 N 0.3701(6) 0.3416(10) -0.1059(7) 0.037(3) Uani 0.626(12) 1 d D U . A 1
H5B H 0.307040 0.334031 -0.106800 0.045 Uiso 0.626(12) 1 d R . . 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'
I I -0.4742 1.8119 '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
I1 Cu1 I1 116.23(6) . 2
N3 Cu1 I1 109.97(15) 1_455 .
N3 Cu1 I1 110.63(15) 1_455 2
N3 Cu1 I1 109.97(15) 2_655 2
N3 Cu1 I1 110.63(15) 2_655 .
N3 Cu1 N3 97.9(3) 2_655 1_455
Cu2 Cu2 I1 83.50(5) 2 .
Cu2 Cu2 I2 60.65(3) 2 .
I1 Cu2 I2 118.38(5) . .
N1 Cu2 Cu2 136.4(2) . 2
N1 Cu2 I1 118.63(17) . .
N1 Cu2 I2 121.90(18) . .
Cu2 I1 Cu1 76.26(5) . .
Cu2 I2 Cu2 58.71(6) . 2
C1 N1 Cu2 121.2(5) . .
C1 N1 C5 117.0(6) . .
C5 N1 Cu2 121.1(5) . .
C4 N2 H2 117.2 . .
C6 N2 H2 117.2 . .
C6 N2 C4 125.6(6) . .
C14 N3 Cu1 119.5(4) . 1_655
C18 N3 Cu1 122.5(5) . 1_655
C18 N3 C14 117.4(6) . .
C13 N4 H4 118.3 . .
C13 N4 C15 123.4(5) . .
C15 N4 H4 118.3 . .
C21 N5A H5A 96.8 . .
C19A N5A H5A 137.4 . .
C19A N5A C21 124.6(13) . .
C20 C23 H23 120.6 . .
C24 C23 H23 120.6 . .
C24 C23 C20 118.7(7) . .
N1 C1 H1 118.1 . .
N1 C1 C2 123.8(7) . .
C2 C1 H1 118.1 . .
C1 C2 H2A 120.0 . .
C1 C2 C3 120.0(7) . .
C3 C2 H2A 120.0 . .
C2 C3 H3 121.2 . .
C4 C3 C2 117.7(7) . .
C4 C3 H3 121.2 . .
N2 C4 C5 117.5(6) . .
C3 C4 N2 124.6(6) . .
C3 C4 C5 117.8(6) . .
N1 C5 C4 123.6(6) . .
N1 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
O1 C6 N2 123.7(7) . .
O1 C6 C7 120.0(6) . .
N2 C6 C7 116.3(6) . .
C8 C7 C6 122.5(6) . .
C12 C7 C6 117.6(6) . .
C12 C7 C8 119.4(6) . .
C7 C8 H8 120.0 . .
C9 C8 C7 120.1(6) . .
C9 C8 H8 120.0 . .
C8 C9 C13 117.9(6) . .
C10 C9 C8 119.6(6) . .
C10 C9 C13 122.0(6) . .
C9 C10 H10 119.7 . .
C9 C10 C11 120.6(6) . .
C11 C10 H10 119.7 . .
C10 C11 C19 117.5(7) . .
C10 C11 C19A 113.7(8) . .
C12 C11 C10 119.4(6) . .
C12 C11 C19 121.2(7) . .
C12 C11 C19A 126.0(9) . .
C7 C12 H12 119.5 . .
C11 C12 C7 120.9(6) . .
C11 C12 H12 119.5 . .
O2 C13 N4 123.1(6) . .
O2 C13 C9 119.6(6) . .
N4 C13 C9 117.3(6) . .
N3 C14 H14 118.1 . .
N3 C14 C15 123.7(6) . .
C15 C14 H14 118.1 . .
C14 C15 N4 119.8(6) . .
C16 C15 N4 122.0(6) . .
C16 C15 C14 118.2(6) . .
C15 C16 H16 120.9 . .
C15 C16 C17 118.2(7) . .
C17 C16 H16 120.9 . .
C16 C17 H17 120.1 . .
C18 C17 C16 119.9(7) . .
C18 C17 H17 120.1 . .
N3 C18 C17 122.6(7) . .
N3 C18 H18 118.7 . .
C17 C18 H18 118.7 . .
O3 C19 C11 120.3(8) . .
O3 C19 N5 125.1(9) . .
N5 C19 C11 114.5(8) . .
C23 C20 H20 120.0 . .
C21 C20 C23 120.0(7) . .
C21 C20 H20 120.0 . .
C20 C21 N5A 108.8(10) . .
C20 C21 C22 116.7(7) . .
C20 C21 N5 129.4(8) . .
C22 C21 N5A 134.1(10) . .
C22 C21 N5 113.9(8) . .
C21 C22 H22 117.7 . .
N6 C22 C21 124.6(8) . .
N6 C22 H22 117.7 . .
C24 N6 C22 117.2(7) . .
C23 C24 H24 118.6 . .
N6 C24 C23 122.7(7) . .
N6 C24 H24 118.6 . .
N5A C19A C11 109.4(9) . .
O3A C19A N5A 118.9(14) . .
O3A C19A C11 130.6(13) . .
C19 N5 C21 116.7(8) . .
C19 N5 H5B 135.1 . .
C21 N5 H5B 107.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 I1 2.6406(12) .
Cu1 I1 2.6406(12) 2
Cu1 N3 2.075(6) 2_655
Cu1 N3 2.075(6) 1_455
Cu2 Cu2 2.524(2) 2
Cu2 I1 2.5745(14) .
Cu2 I2 2.5746(15) .
Cu2 N1 1.990(6) .
O1 C6 1.209(8) .
O2 C13 1.244(8) .
O3 C19 1.192(11) .
N1 C1 1.325(10) .
N1 C5 1.336(9) .
N2 H2 0.8600 .
N2 C4 1.406(8) .
N2 C6 1.353(9) .
N3 C14 1.336(8) .
N3 C18 1.335(9) .
N4 H4 0.8600 .
N4 C13 1.350(8) .
N4 C15 1.417(8) .
N5A H5A 1.0016 .
N5A C21 1.416(9) .
N5A C19A 1.406(10) .
C23 H23 0.9300 .
C23 C20 1.382(11) .
C23 C24 1.369(11) .
C1 H1 0.9300 .
C1 C2 1.361(12) .
C2 H2A 0.9300 .
C2 C3 1.390(11) .
C3 H3 0.9300 .
C3 C4 1.390(10) .
C4 C5 1.406(10) .
C5 H5 0.9300 .
C6 C7 1.510(9) .
C7 C8 1.400(9) .
C7 C12 1.397(9) .
C8 H8 0.9300 .
C8 C9 1.398(9) .
C9 C10 1.389(9) .
C9 C13 1.507(9) .
C10 H10 0.9300 .
C10 C11 1.401(9) .
C11 C12 1.381(9) .
C11 C19 1.521(11) .
C11 C19A 1.527(12) .
C12 H12 0.9300 .
C14 H14 0.9300 .
C14 C15 1.386(9) .
C15 C16 1.380(10) .
C16 H16 0.9300 .
C16 C17 1.385(11) .
C17 H17 0.9300 .
C17 C18 1.372(11) .
C18 H18 0.9300 .
C19 N5 1.397(9) .
C20 H20 0.9300 .
C20 C21 1.363(11) .
C21 C22 1.380(11) .
C21 N5 1.424(8) .
C22 H22 0.9300 .
C22 N6 1.334(10) .
N6 C24 1.324(11) .
C24 H24 0.9300 .
O3A C19A 1.198(13) .
N5 H5B 0.9306 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N2 H2 O2 0.86 2.08 2.933(7) 173.2 2_655 yes
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
Cu1 N3 C14 C15 -173.8(5) 1_655
Cu1 N3 C18 C17 172.4(7) 1_655
Cu2 N1 C1 C2 169.8(7) .
Cu2 N1 C5 C4 -170.5(5) .
O1 C6 C7 C8 -144.6(7) .
O1 C6 C7 C12 26.6(10) .
O3 C19 N5 C21 8(2) .
N1 C1 C2 C3 0.3(15) .
N2 C4 C5 N1 -174.9(6) .
N2 C6 C7 C8 33.7(9) .
N2 C6 C7 C12 -155.2(6) .
N3 C14 C15 N4 179.2(6) .
N3 C14 C15 C16 1.7(10) .
N4 C15 C16 C17 -178.0(7) .
N5A C21 C22 N6 171.4(14) .
C23 C20 C21 N5A -173.4(11) .
C23 C20 C21 C22 0.1(12) .
C23 C20 C21 N5 176.3(8) .
C1 N1 C5 C4 0.4(11) .
C1 C2 C3 C4 1.1(14) .
C2 C3 C4 N2 173.9(7) .
C2 C3 C4 C5 -1.7(12) .
C3 C4 C5 N1 1.0(11) .
C4 N2 C6 O1 11.6(11) .
C4 N2 C6 C7 -166.6(6) .
C5 N1 C1 C2 -1.1(12) .
C6 N2 C4 C3 21.8(11) .
C6 N2 C4 C5 -162.7(7) .
C6 C7 C8 C9 171.3(6) .
C6 C7 C12 C11 -171.5(7) .
C7 C8 C9 C10 -0.8(10) .
C7 C8 C9 C13 -172.9(6) .
C8 C7 C12 C11 -0.1(10) .
C8 C9 C10 C11 0.9(11) .
C8 C9 C13 O2 19.9(9) .
C8 C9 C13 N4 -161.1(6) .
C9 C10 C11 C12 -0.6(11) .
C9 C10 C11 C19 -165.1(9) .
C9 C10 C11 C19A 169.2(11) .
C10 C9 C13 O2 -152.0(7) .
C10 C9 C13 N4 27.0(10) .
C10 C11 C12 C7 0.2(11) .
C10 C11 C19 O3 20.0(18) .
C10 C11 C19 N5 -157.5(11) .
C10 C11 C19A N5A 150.1(16) .
C10 C11 C19A O3A -17(3) .
C11 C19 N5 C21 -174.4(9) .
C12 C7 C8 C9 0.4(10) .
C12 C11 C19 O3 -144.3(13) .
C12 C11 C19 N5 38.3(17) .
C12 C11 C19A N5A -41(2) .
C12 C11 C19A O3A 152(2) .
C13 N4 C15 C14 45.4(9) .
C13 N4 C15 C16 -137.2(7) .
C13 C9 C10 C11 172.6(7) .
C14 N3 C18 C17 0.5(12) .
C14 C15 C16 C17 -0.5(11) .
C15 N4 C13 O2 11.4(10) .
C15 N4 C13 C9 -167.5(6) .
C15 C16 C17 C18 -0.5(14) .
C16 C17 C18 N3 0.5(14) .
C18 N3 C14 C15 -1.7(10) .
C19 C11 C12 C7 164.2(8) .
C20 C23 C24 N6 -0.3(14) .
C20 C21 C22 N6 0.1(14) .
C20 C21 N5 C19 65.5(16) .
C21 N5A C19A C11 173.9(14) .
C21 N5A C19A O3A -17(4) .
C21 C22 N6 C24 -0.4(15) .
C22 C21 N5 C19 -118.2(13) .
C22 N6 C24 C23 0.4(14) .
C24 C23 C20 C21 0.0(12) .
C19A N5A C21 C20 133(2) .
C19A N5A C21 C22 -38(3) .
C19A C11 C12 C7 -168.3(12) .
N5 C21 C22 N6 -176.7(9) .
