#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/23/7202321.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_7202321
loop_
_publ_author_name
'Du, Miao'
'Zhang, Zhi-Hui'
'Wang, Xiu-Guang'
'Tang, Liang-Fu'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Structural modulation of polythreading and interpenetrating
 coordination networks with an elongated dipyridyl building block and
 various anionic co-ligands
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1855
_journal_paper_doi               10.1039/b810121c
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C44.34 H44 Cu N16.34 O2.5'
_chemical_formula_weight         909.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           54
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.791(4)
_cell_length_b                   24.236(4)
_cell_length_c                   8.1907(13)
_cell_measurement_reflns_used    3278
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.30
_cell_measurement_theta_min      2.40
_cell_volume                     4722.7(13)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Apex II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0433
_diffrn_reflns_av_sigmaI/netI    0.0431
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            24221
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.518
_exptl_absorpt_correction_T_max  0.8870
_exptl_absorpt_correction_T_min  0.8236
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1893.3
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.955
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     327
_refine_ls_number_reflns         4175
_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      1.182
_refine_ls_R_factor_all          0.0975
_refine_ls_R_factor_gt           0.0739
_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)+(0.1409P)²+4.5790P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2236
_refine_ls_wR_factor_ref         0.2488
_reflns_number_gt                3035
_reflns_number_total             4175
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b810121c.txt
_cod_data_source_block           1.Cu
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        4722.6(13)
_cod_original_sg_symbol_H-M      Pcca
_cod_original_formula_sum        'C44.34 H44 Cu N16.34 O2.50'
_cod_database_code               7202321
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z'
'-x, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z'
'x, -y, z-1/2'
'-x-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.0000 0.26090(3) 1.2500 0.0559(4) Uani 1 2 d S . .
N1 N 0.04738(16) 0.20103(16) 1.1427(5) 0.0505(10) Uani 1 1 d . A .
N2 N 0.17001(14) -0.01702(14) 0.8771(4) 0.0405(8) Uani 1 1 d . A .
N3 N 0.20368(14) 0.02024(15) 0.8011(4) 0.0395(8) Uani 1 1 d . A .
N4 N 0.04526(15) 0.31936(15) 1.1315(5) 0.0507(10) Uani 1 1 d . A .
N5 N 0.20195(15) 0.48467(16) 0.7280(4) 0.0408(9) Uani 1 1 d . A .
N6 N 0.16893(15) 0.52526(16) 0.7864(4) 0.0443(9) Uani 1 1 d . A .
C1 C 0.0875(2) 0.1578(2) 0.9089(6) 0.0546(13) Uani 1 1 d . A .
H1 H 0.0927 0.1579 0.7964 0.066 Uiso 1 1 calc R . .
C2 C 0.0565(2) 0.1993(2) 0.9816(6) 0.0548(13) Uani 1 1 d . . .
H2 H 0.0415 0.2271 0.9163 0.066 Uiso 1 1 calc R A .
C3 C 0.0705(2) 0.1612(2) 1.2337(6) 0.0536(12) Uani 1 1 d . . .
H3 H 0.0653 0.1624 1.3462 0.064 Uiso 1 1 calc R A .
C4 C 0.1011(2) 0.1192(2) 1.1703(6) 0.0525(12) Uani 1 1 d . A .
H4 H 0.1159 0.0922 1.2388 0.063 Uiso 1 1 calc R . .
C5 C 0.11051(18) 0.11644(18) 1.0022(6) 0.0449(10) Uani 1 1 d . . .
C6 C 0.14269(17) 0.07027(18) 0.9328(5) 0.0409(10) Uani 1 1 d . A .
C7 C 0.13289(17) 0.01335(19) 0.9564(5) 0.0408(10) Uani 1 1 d . . .
C8 C 0.18939(17) 0.07347(18) 0.8315(5) 0.0433(10) Uani 1 1 d . . .
C9 C 0.08537(18) -0.0144(2) 1.0447(6) 0.0527(12) Uani 1 1 d . A .
H9A H 0.0568 -0.0247 0.9677 0.079 Uiso 1 1 calc R . .
H9B H 0.0698 0.0105 1.1237 0.079 Uiso 1 1 calc R . .
H9C H 0.0991 -0.0468 1.0991 0.079 Uiso 1 1 calc R . .
C10 C 0.2500 0.0000 0.7024(7) 0.0422(14) Uani 1 2 d S . .
H10A H 0.2366 -0.0296 0.6327 0.051 Uiso 0.50 1 calc PR A .
H10B H 0.2634 0.0296 0.6327 0.051 Uiso 0.50 1 calc PR . .
C11 C 0.2196(2) 0.1212(2) 0.7641(7) 0.0669(16) Uani 1 1 d . A .
H11A H 0.2591 0.1171 0.7839 0.100 Uiso 1 1 calc R . .
H11B H 0.2063 0.1544 0.8157 0.100 Uiso 1 1 calc R . .
H11C H 0.2129 0.1235 0.6487 0.100 Uiso 1 1 calc R . .
C12 C 0.04877(18) 0.3987(2) 0.9611(6) 0.0537(12) Uani 1 1 d . A .
H12 H 0.0291 0.4255 0.9032 0.064 Uiso 1 1 calc R . .
C13 C 0.0199(2) 0.3588(2) 1.0464(7) 0.0599(14) Uani 1 1 d . . .
H13 H -0.0192 0.3594 1.0442 0.072 Uiso 1 1 calc R A .
C14 C 0.10130(19) 0.3191(2) 1.1319(6) 0.0521(12) Uani 1 1 d . . .
H14 H 0.1199 0.2918 1.1908 0.062 Uiso 1 1 calc R A .
C15 C 0.13267(18) 0.35751(19) 1.0486(6) 0.0493(11) Uani 1 1 d . A .
H15 H 0.1717 0.3554 1.0512 0.059 Uiso 1 1 calc R . .
C16 C 0.10706(17) 0.39916(18) 0.9612(5) 0.0413(10) Uani 1 1 d . . .
C17 C 0.13953(17) 0.44170(18) 0.8747(5) 0.0398(10) Uani 1 1 d . A .
C18 C 0.18643(17) 0.43372(19) 0.7765(5) 0.0405(10) Uani 1 1 d . . .
C19 C 0.13008(17) 0.49912(19) 0.8753(5) 0.0406(10) Uani 1 1 d . . .
C20 C 0.08518(19) 0.5316(2) 0.9562(6) 0.0546(12) Uani 1 1 d . A .
H20A H 0.0972 0.5692 0.9678 0.082 Uiso 1 1 calc R . .
H20B H 0.0776 0.5162 1.0620 0.082 Uiso 1 1 calc R . .
H20C H 0.0517 0.5303 0.8910 0.082 Uiso 1 1 calc R . .
C21 C 0.2149(2) 0.3827(2) 0.7250(7) 0.0607(14) Uani 1 1 d . A .
H21A H 0.2190 0.3826 0.6084 0.091 Uiso 1 1 calc R . .
H21B H 0.1930 0.3514 0.7580 0.091 Uiso 1 1 calc R . .
H21C H 0.2514 0.3808 0.7751 0.091 Uiso 1 1 calc R . .
C22 C 0.2500 0.5000 0.6295(7) 0.0465(15) Uani 1 2 d S . .
H22A H 0.2602 0.4692 0.5598 0.056 Uiso 0.50 1 calc PR A .
H22B H 0.2398 0.5308 0.5598 0.056 Uiso 0.50 1 calc PR . .
N7 N 0.0620(3) 0.2581(3) 1.4887(9) 0.1118(17) Uani 0.584(8) 1 d PDU A 1
C23 C 0.1089(5) 0.2520(5) 1.5153(15) 0.124(2) Uani 0.584(8) 1 d PDU A 1
N8 N 0.1586(4) 0.2291(7) 1.593(2) 0.144(3) Uani 0.584(8) 1 d PDU A 1
C24 C 0.2116(7) 0.2522(6) 1.5313(18) 0.152(4) Uani 0.584(8) 1 d PDU A 1
N9 N 0.2597(6) 0.2552(6) 1.530(2) 0.165(5) Uani 0.584(8) 1 d PDU A 1
O1 O 0.0620(3) 0.2581(3) 1.4887(9) 0.1118(17) Uani 0.416(8) 1 d PDU A 2
N10 N 0.1012(4) 0.2754(5) 1.5641(12) 0.118(2) Uani 0.416(8) 1 d PDU A 2
O2 O 0.1321(7) 0.2536(6) 1.661(2) 0.137(3) Uani 0.416(8) 1 d PDU A 2
O3 O 0.1120(6) 0.3244(5) 1.5377(19) 0.133(4) Uani 0.416(8) 1 d PDU A 2
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
N4 Cu1 N4 91.3(2) . 3_557 ?
N4 Cu1 N1 176.91(17) . 3_557 ?
N4 Cu1 N1 89.85(15) 3_557 3_557 ?
N4 Cu1 N1 89.85(15) . . ?
N4 Cu1 N1 176.91(17) 3_557 . ?
N1 Cu1 N1 89.1(2) 3_557 . ?
N4 Cu1 N7 87.57(19) . 3_557 ?
N4 Cu1 N7 94.7(2) 3_557 3_557 ?
N1 Cu1 N7 89.48(19) 3_557 3_557 ?
N1 Cu1 N7 88.2(2) . 3_557 ?
N4 Cu1 N7 94.7(2) . . ?
N4 Cu1 N7 87.57(19) 3_557 . ?
N1 Cu1 N7 88.2(2) 3_557 . ?
N1 Cu1 N7 89.48(19) . . ?
N7 Cu1 N7 176.8(3) 3_557 . ?
C3 N1 C2 117.4(4) . . ?
C3 N1 Cu1 120.1(3) . . ?
C2 N1 Cu1 122.5(3) . . ?
C7 N2 N3 104.4(3) . . ?
C8 N3 N2 113.6(3) . . ?
C8 N3 C10 127.8(3) . . ?
N2 N3 C10 118.6(3) . . ?
C13 N4 C14 117.4(4) . . ?
C13 N4 Cu1 120.9(3) . . ?
C14 N4 Cu1 121.8(3) . . ?
N6 N5 C18 113.9(3) . . ?
N6 N5 C22 118.1(3) . . ?
C18 N5 C22 128.0(3) . . ?
C19 N6 N5 104.5(4) . . ?
C5 C1 C2 120.3(5) . . ?
C5 C1 H1 119.9 . . ?
C2 C1 H1 119.9 . . ?
N1 C2 C1 122.3(5) . . ?
N1 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
N1 C3 C4 123.3(4) . . ?
N1 C3 H3 118.3 . . ?
C4 C3 H3 118.3 . . ?
C3 C4 C5 120.0(5) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C1 C5 C4 116.7(4) . . ?
C1 C5 C6 123.2(4) . . ?
C4 C5 C6 120.1(4) . . ?
C8 C6 C7 105.6(4) . . ?
C8 C6 C5 127.2(4) . . ?
C7 C6 C5 127.2(4) . . ?
N2 C7 C6 111.5(4) . . ?
N2 C7 C9 119.4(4) . . ?
C6 C7 C9 128.9(4) . . ?
N3 C8 C6 104.9(4) . . ?
N3 C8 C11 123.9(4) . . ?
C6 C8 C11 131.2(4) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N3 C10 N3 112.3(5) 2 . ?
N3 C10 H10A 109.1 2 . ?
N3 C10 H10A 109.1 . . ?
N3 C10 H10B 109.1 2 . ?
N3 C10 H10B 109.1 . . ?
H10A C10 H10B 107.9 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C16 120.2(4) . . ?
C13 C12 H12 119.9 . . ?
C16 C12 H12 119.9 . . ?
N4 C13 C12 123.1(4) . . ?
N4 C13 H13 118.5 . . ?
C12 C13 H13 118.5 . . ?
N4 C14 C15 122.5(4) . . ?
N4 C14 H14 118.7 . . ?
C15 C14 H14 118.7 . . ?
C14 C15 C16 120.9(4) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C15 C16 C12 115.9(4) . . ?
C15 C16 C17 122.1(4) . . ?
C12 C16 C17 122.0(4) . . ?
C18 C17 C19 105.5(4) . . ?
C18 C17 C16 127.1(4) . . ?
C19 C17 C16 127.3(4) . . ?
N5 C18 C17 105.2(4) . . ?
N5 C18 C21 124.0(4) . . ?
C17 C18 C21 130.8(4) . . ?
N6 C19 C17 110.8(4) . . ?
N6 C19 C20 119.4(4) . . ?
C17 C19 C20 129.8(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N5 C22 N5 112.3(5) 2_565 . ?
N5 C22 H22A 109.2 2_565 . ?
N5 C22 H22A 109.2 . . ?
N5 C22 H22B 109.2 2_565 . ?
N5 C22 H22B 109.2 . . ?
H22A C22 H22B 107.9 . . ?
C23 N7 Cu1 137.9(7) . . ?
N7 C23 N8 157.6(16) . . ?
C23 N8 C24 113.9(14) . . ?
N9 C24 N8 152.1(19) . . ?
O2 N10 O3 114.2(10) . . ?
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 N4 2.027(4) . ?
Cu1 N4 2.027(4) 3_557 ?
Cu1 N1 2.037(4) 3_557 ?
Cu1 N1 2.037(4) . ?
Cu1 N7 2.450(7) 3_557 ?
Cu1 N7 2.450(7) . ?
N1 C3 1.337(6) . ?
N1 C2 1.338(6) . ?
N2 C7 1.321(5) . ?
N2 N3 1.358(5) . ?
N3 C8 1.357(6) . ?
N3 C10 1.452(5) . ?
N4 C13 1.328(6) . ?
N4 C14 1.333(6) . ?
N5 N6 1.347(5) . ?
N5 C18 1.349(6) . ?
N5 C22 1.448(5) . ?
N6 C19 1.337(5) . ?
C1 C5 1.375(7) . ?
C1 C2 1.381(6) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.356(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.470(6) . ?
C6 C8 1.389(6) . ?
C6 C7 1.412(6) . ?
C7 C9 1.501(6) . ?
C8 C11 1.470(7) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 N3 1.452(5) 2 ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.377(7) . ?
C12 C16 1.387(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.375(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.379(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.470(6) . ?
C17 C18 1.389(6) . ?
C17 C19 1.410(6) . ?
C18 C21 1.472(7) . ?
C19 C20 1.482(6) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 N5 1.448(5) 2_565 ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
N7 C23 1.145(8) . ?
C23 N8 1.451(7) . ?
N8 C24 1.468(8) . ?
C24 N9 1.145(11) . ?
N10 O2 1.204(8) . ?
N10 O3 1.234(8) . ?
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
N4 Cu1 N1 C3 129.8(4) . . . . ?
N1 Cu1 N1 C3 -53.1(3) 3_557 . . . ?
N7 Cu1 N1 C3 -142.6(4) 3_557 . . . ?
N7 Cu1 N1 C3 35.1(4) . . . . ?
N4 Cu1 N1 C2 -50.6(4) . . . . ?
N1 Cu1 N1 C2 126.5(5) 3_557 . . . ?
N7 Cu1 N1 C2 37.0(4) 3_557 . . . ?
N7 Cu1 N1 C2 -145.2(4) . . . . ?
C7 N2 N3 C8 0.7(4) . . . . ?
C7 N2 N3 C10 179.6(4) . . . . ?
N4 Cu1 N4 C13 -54.0(4) 3_557 . . . ?
N1 Cu1 N4 C13 128.9(4) . . . . ?
N7 Cu1 N4 C13 40.6(4) 3_557 . . . ?
N7 Cu1 N4 C13 -141.7(4) . . . . ?
N4 Cu1 N4 C14 127.9(5) 3_557 . . . ?
N1 Cu1 N4 C14 -49.3(4) . . . . ?
N7 Cu1 N4 C14 -137.5(4) 3_557 . . . ?
N7 Cu1 N4 C14 40.2(4) . . . . ?
C18 N5 N6 C19 -0.6(4) . . . . ?
C22 N5 N6 C19 -178.0(3) . . . . ?
C3 N1 C2 C1 1.4(8) . . . . ?
Cu1 N1 C2 C1 -178.3(4) . . . . ?
C5 C1 C2 N1 -0.5(8) . . . . ?
C2 N1 C3 C4 -1.6(8) . . . . ?
Cu1 N1 C3 C4 178.0(4) . . . . ?
N1 C3 C4 C5 0.9(8) . . . . ?
C2 C1 C5 C4 -0.3(7) . . . . ?
C2 C1 C5 C6 178.4(5) . . . . ?
C3 C4 C5 C1 0.1(7) . . . . ?
C3 C4 C5 C6 -178.7(5) . . . . ?
C1 C5 C6 C8 54.6(7) . . . . ?
C4 C5 C6 C8 -126.6(5) . . . . ?
C1 C5 C6 C7 -126.0(5) . . . . ?
C4 C5 C6 C7 52.7(7) . . . . ?
N3 N2 C7 C6 -0.4(4) . . . . ?
N3 N2 C7 C9 175.0(4) . . . . ?
C8 C6 C7 N2 -0.1(5) . . . . ?
C5 C6 C7 N2 -179.5(4) . . . . ?
C8 C6 C7 C9 -174.9(4) . . . . ?
C5 C6 C7 C9 5.7(7) . . . . ?
N2 N3 C8 C6 -0.7(5) . . . . ?
C10 N3 C8 C6 -179.5(4) . . . . ?
N2 N3 C8 C11 179.7(4) . . . . ?
C10 N3 C8 C11 0.9(7) . . . . ?
C7 C6 C8 N3 0.5(5) . . . . ?
C5 C6 C8 N3 179.9(4) . . . . ?
C7 C6 C8 C11 -180.0(5) . . . . ?
C5 C6 C8 C11 -0.5(8) . . . . ?
C8 N3 C10 N3 104.0(4) . . . 2 ?
N2 N3 C10 N3 -74.8(3) . . . 2 ?
C14 N4 C13 C12 -0.4(8) . . . . ?
Cu1 N4 C13 C12 -178.6(4) . . . . ?
C16 C12 C13 N4 0.0(8) . . . . ?
C13 N4 C14 C15 0.0(7) . . . . ?
Cu1 N4 C14 C15 178.2(4) . . . . ?
N4 C14 C15 C16 0.8(8) . . . . ?
C14 C15 C16 C12 -1.2(7) . . . . ?
C14 C15 C16 C17 178.3(4) . . . . ?
C13 C12 C16 C15 0.8(7) . . . . ?
C13 C12 C16 C17 -178.7(5) . . . . ?
C15 C16 C17 C18 45.1(7) . . . . ?
C12 C16 C17 C18 -135.5(5) . . . . ?
C15 C16 C17 C19 -134.1(5) . . . . ?
C12 C16 C17 C19 45.4(7) . . . . ?
N6 N5 C18 C17 -0.1(5) . . . . ?
C22 N5 C18 C17 177.0(4) . . . . ?
N6 N5 C18 C21 178.2(4) . . . . ?
C22 N5 C18 C21 -4.7(7) . . . . ?
C19 C17 C18 N5 0.7(4) . . . . ?
C16 C17 C18 N5 -178.7(4) . . . . ?
C19 C17 C18 C21 -177.4(5) . . . . ?
C16 C17 C18 C21 3.3(8) . . . . ?
N5 N6 C19 C17 1.0(4) . . . . ?
N5 N6 C19 C20 -178.6(4) . . . . ?
C18 C17 C19 N6 -1.1(5) . . . . ?
C16 C17 C19 N6 178.3(4) . . . . ?
C18 C17 C19 C20 178.5(4) . . . . ?
C16 C17 C19 C20 -2.2(7) . . . . ?
N6 N5 C22 N5 82.7(3) . . . 2_565 ?
C18 N5 C22 N5 -94.2(4) . . . 2_565 ?
N4 Cu1 N7 C23 -53.5(12) . . . . ?
N4 Cu1 N7 C23 -144.7(12) 3_557 . . . ?
N1 Cu1 N7 C23 125.4(12) 3_557 . . . ?
N1 Cu1 N7 C23 36.3(12) . . . . ?
Cu1 N7 C23 N8 -130.0(17) . . . . ?
N7 C23 N8 C24 179.4(5) . . . . ?
C23 N8 C24 N9 179.8(6) . . . . ?
