#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:41:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180444 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/13/7211394.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_7211394
loop_
_publ_author_name
'Wang, Xiuli'
'Luan, Jian'
'Lin, Hongyan'
'Xu, Chuang'
'Liu, Guocheng'
'Zhang, Juwen'
'Tian, Aixiang'
_publ_section_title
;
 The design and construction of a series of metal--organic coordination
 polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands
 and three aromatic polycarboxylates
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              9995
_journal_paper_doi               10.1039/c3ce41498a
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C90 H102 Cu3 N16 O28'
_chemical_formula_weight         2046.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                110.640(2)
_cell_angle_beta                 92.365(2)
_cell_angle_gamma                102.114(2)
_cell_formula_units_Z            1
_cell_length_a                   10.1362(13)
_cell_length_b                   16.167(2)
_cell_length_c                   16.570(2)
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.39
_cell_volume                     2464.7(5)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omegascans'
_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  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0841
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13061
_diffrn_reflns_theta_full        24.96
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1065
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     619
_refine_ls_number_reflns         8567
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0624P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1351
_reflns_number_gt                5729
_reflns_number_total             8567
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41498a.txt
_cod_data_source_block           lj-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7211394
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
Cu1 Cu 0.0000 0.5000 0.5000 0.0285(2) Uani 1 2 d S
O1W O 0.3940(6) 0.3331(4) 0.3621(3) 0.135(2) Uani 1 1 d .
O1 O -0.3323(3) 0.04742(18) 0.02008(18) 0.0322(7) Uani 1 1 d .
C1 C -0.2030(4) 0.1624(2) 0.1470(2) 0.0181(8) Uani 1 1 d .
N1 N 0.1724(4) 0.1422(2) 0.6019(2) 0.0384(9) Uani 1 1 d .
H1A H 0.0916 0.1457 0.6140 0.046 Uiso 1 1 calc R
Cu2 Cu 0.36384(5) 0.08841(3) 0.07864(3) 0.02109(15) Uani 1 1 d .
O2W O 0.5897(5) 0.2765(4) 0.4340(4) 0.137(2) Uani 1 1 d .
O2 O -0.1745(3) 0.3694(2) 0.39608(18) 0.0372(7) Uani 1 1 d .
C2 C -0.2010(4) 0.2365(2) 0.2220(2) 0.0214(9) Uani 1 1 d .
H2A H -0.2823 0.2510 0.2389 0.026 Uiso 1 1 d R
N2 N 0.2545(4) 0.0026(3) 0.4627(2) 0.0395(9) Uani 1 1 d .
H2B H 0.3206 0.0492 0.4717 0.047 Uiso 1 1 calc R
O3W O 0.6523(6) 0.3003(4) 0.6129(4) 0.153(2) Uani 1 1 d .
O3 O 0.1697(2) 0.09493(18) 0.08391(17) 0.0261(6) Uani 1 1 d .
C3 C -0.0817(4) 0.1383(3) 0.1234(2) 0.0219(9) Uani 1 1 d .
H3A H -0.0829 0.0876 0.0739 0.026 Uiso 1 1 calc R
N3 N 0.3791(3) 0.1484(2) -0.0117(2) 0.0271(8) Uani 1 1 d .
O4W O 0.7727(9) 0.4683(5) 0.6926(5) 0.221(4) Uani 1 1 d U
O4 O 0.2813(3) 0.21363(19) 0.1978(2) 0.0397(8) Uani 1 1 d .
C4 C -0.0767(4) 0.3684(3) 0.3542(3) 0.0273(10) Uani 1 1 d .
N4 N 0.3385(3) 0.0327(2) 0.1721(2) 0.0263(8) Uani 1 1 d .
O5 O -0.4419(2) 0.13102(18) 0.12046(17) 0.0269(6) Uani 1 1 d .
C5 C 0.0419(4) 0.1904(3) 0.1744(2) 0.0226(9) Uani 1 1 d .
N5 N 0.0740(4) 0.4107(2) 0.5364(2) 0.0319(9) Uani 1 1 d .
O6 O 0.1125(3) -0.1199(2) 0.3621(2) 0.0486(9) Uani 1 1 d .
C6 C 0.1741(4) 0.1653(3) 0.1519(3) 0.0250(9) Uani 1 1 d .
N6 N 0.4036(4) 0.3735(3) -0.1591(2) 0.0457(10) Uani 1 1 d .
H27A H 0.3561 0.3844 -0.1164 0.055 Uiso 1 1 calc R
O7 O 0.0330(3) 0.43274(18) 0.38035(17) 0.0307(7) Uani 1 1 d .
C7 C 0.0418(4) 0.2664(3) 0.2469(3) 0.0276(10) Uani 1 1 d .
H7A H 0.1242 0.3024 0.2795 0.033 Uiso 1 1 calc R
N7 N 0.6724(4) 0.4830(3) -0.1376(3) 0.0567(12) Uani 1 1 d .
H29A H 0.7131 0.4680 -0.1832 0.068 Uiso 1 1 calc R
O8 O 0.3546(3) 0.1955(2) 0.5445(2) 0.0475(9) Uani 1 1 d .
C8 C -0.3356(4) 0.1080(2) 0.0905(2) 0.0207(9) Uani 1 1 d .
N8 N 1.0094(6) 0.3055(4) -0.0934(6) 0.108(2) Uani 1 1 d .
O9 O 0.4979(4) 0.2666(2) -0.2486(2) 0.0599(10) Uani 1 1 d .
C9 C 0.4340(5) 0.4421(3) -0.1989(3) 0.0431(12) Uani 1 1 d .
H9A H 0.4619 0.4138 -0.2562 0.052 Uiso 1 1 calc R
C10 C 0.2044(5) -0.0152(3) 0.5379(3) 0.0392(11) Uani 1 1 d .
H10A H 0.1059 -0.0410 0.5244 0.047 Uiso 1 1 calc R
O10 O 0.6818(4) 0.5021(3) 0.0020(2) 0.0803(13) Uani 1 1 d .
C11 C -0.0777(4) 0.2902(3) 0.2722(2) 0.0230(9) Uani 1 1 d .
C12 C 0.4159(4) 0.2435(3) -0.1238(3) 0.0329(10) Uani 1 1 d .
C13 C 0.2305(5) 0.0724(3) 0.6174(3) 0.0397(12) Uani 1 1 d .
H13A H 0.3290 0.0964 0.6327 0.048 Uiso 1 1 calc R
C14 C 0.4006(4) 0.0790(3) 0.2531(3) 0.0343(11) Uani 1 1 d .
H14A H 0.4726 0.1290 0.2628 0.041 Uiso 1 1 calc R
C15 C 0.2578(4) -0.0199(3) 0.3094(3) 0.0321(10) Uani 1 1 d .
C16 C 0.2030(5) -0.0494(3) 0.3811(3) 0.0374(11) Uani 1 1 d .
C17 C 0.4434(5) 0.2953(3) -0.1836(3) 0.0401(12) Uani 1 1 d .
C18 C 0.2371(4) -0.0406(3) 0.1598(3) 0.0344(11) Uani 1 1 d .
H18A H 0.1925 -0.0740 0.1039 0.041 Uiso 1 1 calc R
C19 C 0.3631(4) 0.0562(3) 0.3232(3) 0.0367(11) Uani 1 1 d .
H19A H 0.4077 0.0913 0.3788 0.044 Uiso 1 1 calc R
C20 C 0.5528(5) 0.5187(3) -0.1421(3) 0.0441(12) Uani 1 1 d .
H20A H 0.5277 0.5422 -0.0832 0.053 Uiso 1 1 calc R
C21 C 0.1964(5) -0.0682(3) 0.2255(3) 0.0393(11) Uani 1 1 d .
H21A H 0.1266 -0.1201 0.2134 0.047 Uiso 1 1 calc R
C22 C 0.1785(5) 0.2736(3) 0.5617(3) 0.0341(11) Uani 1 1 d .
C23 C 0.2429(5) 0.2010(3) 0.5691(3) 0.0386(11) Uani 1 1 d .
C24 C 0.5015(5) 0.1896(3) -0.1173(3) 0.0426(12) Uani 1 1 d .
H24A H 0.5724 0.1835 -0.1512 0.051 Uiso 1 1 calc R
C25 C 0.8245(5) 0.4144(4) -0.0803(4) 0.0566(15) Uani 1 1 d .
C26 C 0.4814(5) 0.1450(3) -0.0607(3) 0.0400(12) Uani 1 1 d .
H26A H 0.5418 0.1104 -0.0560 0.048 Uiso 1 1 calc R
C27 C 0.2929(5) 0.1971(3) -0.0224(3) 0.0428(12) Uani 1 1 d .
H27B H 0.2184 0.1983 0.0085 0.051 Uiso 1 1 calc R
C28 C 0.3080(5) 0.2454(3) -0.0764(3) 0.0477(13) Uani 1 1 d .
H28A H 0.2459 0.2791 -0.0807 0.057 Uiso 1 1 calc R
C29 C 0.0467(5) 0.2797(3) 0.5739(3) 0.0467(13) Uani 1 1 d .
H29B H -0.0099 0.2377 0.5915 0.056 Uiso 1 1 calc R
C30 C 0.7222(5) 0.4724(4) -0.0682(4) 0.0521(14) Uani 1 1 d .
C31 C 0.2568(5) 0.3408(3) 0.5389(4) 0.0569(15) Uani 1 1 d .
H31A H 0.3474 0.3412 0.5313 0.068 Uiso 1 1 calc R
C32 C 0.2017(5) 0.4067(3) 0.5273(4) 0.0540(14) Uani 1 1 d .
H32A H 0.2572 0.4513 0.5122 0.065 Uiso 1 1 calc R
C33 C 0.1722(6) 0.0523(3) 0.6939(3) 0.0531(14) Uani 1 1 d .
H33A H 0.1897 0.1083 0.7446 0.064 Uiso 1 1 calc R
H33B H 0.0744 0.0286 0.6799 0.064 Uiso 1 1 calc R
C34 C 0.3085(5) 0.4747(3) -0.2109(3) 0.0501(14) Uani 1 1 d .
H34A H 0.2699 0.4920 -0.1565 0.060 Uiso 1 1 calc R
H34B H 0.2414 0.4252 -0.2540 0.060 Uiso 1 1 calc R
C35 C 0.9751(9) 0.3305(6) -0.1555(7) 0.123(3) Uani 1 1 d .
H35A H 1.0163 0.3115 -0.2058 0.147 Uiso 1 1 calc R
C36 C 0.2699(6) -0.0836(3) 0.5581(3) 0.0569(15) Uani 1 1 d .
H36A H 0.2519 -0.1398 0.5075 0.068 Uiso 1 1 calc R
H36B H 0.3677 -0.0595 0.5710 0.068 Uiso 1 1 calc R
C37 C -0.0014(5) 0.3477(3) 0.5604(3) 0.0471(13) Uani 1 1 d .
H37A H -0.0912 0.3497 0.5683 0.057 Uiso 1 1 calc R
C38 C 0.5819(6) 0.5967(3) -0.1748(4) 0.0636(16) Uani 1 1 d .
H38A H 0.6112 0.5758 -0.2321 0.076 Uiso 1 1 calc R
H38B H 0.6547 0.6456 -0.1360 0.076 Uiso 1 1 calc R
C39 C 0.3386(6) 0.5559(4) -0.2400(4) 0.0684(18) Uani 1 1 d .
H39A H 0.3633 0.5363 -0.2986 0.082 Uiso 1 1 calc R
H39B H 0.2574 0.5785 -0.2409 0.082 Uiso 1 1 calc R
C40 C 0.4537(6) 0.6321(4) -0.1795(4) 0.0694(18) Uani 1 1 d .
H40A H 0.4266 0.6552 -0.1219 0.083 Uiso 1 1 calc R
H40B H 0.4731 0.6816 -0.2007 0.083 Uiso 1 1 calc R
C41 C 0.2349(7) -0.0165(4) 0.7146(4) 0.0675(17) Uani 1 1 d .
H41A H 0.3314 0.0092 0.7338 0.081 Uiso 1 1 calc R
H41B H 0.1931 -0.0304 0.7615 0.081 Uiso 1 1 calc R
C42 C 0.9509(9) 0.3354(6) -0.0236(7) 0.131(3) Uani 1 1 d U
H42A H 0.9710 0.3181 0.0224 0.157 Uiso 1 1 calc R
C43 C 0.2145(7) -0.1032(4) 0.6352(4) 0.0696(18) Uani 1 1 d .
H43A H 0.1183 -0.1324 0.6201 0.084 Uiso 1 1 calc R
H43B H 0.2604 -0.1447 0.6484 0.084 Uiso 1 1 calc R
C44 C 0.8614(8) 0.3907(5) -0.0133(5) 0.105(3) Uani 1 1 d .
H44A H 0.8266 0.4118 0.0392 0.126 Uiso 1 1 calc R
C45 C 0.8840(7) 0.3822(5) -0.1542(5) 0.097(2) Uani 1 1 d .
H45A H 0.8627 0.3954 -0.2027 0.117 Uiso 1 1 calc R
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
O7 Cu1 O7 179.999(1) . 2_566
O7 Cu1 N5 87.52(12) . .
O7 Cu1 N5 92.48(12) 2_566 .
O7 Cu1 N5 92.48(12) . 2_566
O7 Cu1 N5 87.52(12) 2_566 2_566
N5 Cu1 N5 179.999(1) . 2_566
O7 Cu1 C4 150.17(12) . 2_566
O7 Cu1 C4 29.83(12) 2_566 2_566
N5 Cu1 C4 94.99(12) . 2_566
N5 Cu1 C4 85.01(13) 2_566 2_566
O7 Cu1 C4 29.83(12) . .
O7 Cu1 C4 150.17(12) 2_566 .
N5 Cu1 C4 85.01(12) . .
N5 Cu1 C4 94.99(13) 2_566 .
C4 Cu1 C4 179.999(1) 2_566 .
C8 O1 Cu2 159.2(3) . 2
C2 C1 C3 119.9(3) . .
C2 C1 C8 120.2(3) . .
C3 C1 C8 119.9(3) . .
C23 N1 C13 121.5(4) . .
O5 Cu2 O3 153.81(11) 1_655 .
O5 Cu2 N3 93.50(12) 1_655 .
O3 Cu2 N3 90.45(12) . .
O5 Cu2 N4 88.83(12) 1_655 .
O3 Cu2 N4 86.13(12) . .
N3 Cu2 N4 176.17(13) . .
O5 Cu2 O1 107.08(11) 1_655 2
O3 Cu2 O1 98.58(10) . 2
N3 Cu2 O1 92.62(12) . 2
N4 Cu2 O1 89.59(12) . 2
C1 C2 C11 120.5(4) . .
C16 N2 C10 123.3(4) . .
C6 O3 Cu2 103.9(2) . .
C1 C3 C5 119.9(4) . .
C27 N3 C26 116.1(4) . .
C27 N3 Cu2 122.5(3) . .
C26 N3 Cu2 121.4(3) . .
O2 C4 O7 122.0(4) . .
O2 C4 C11 121.2(4) . .
O7 C4 C11 116.7(4) . .
O2 C4 Cu1 72.9(2) . .
O7 C4 Cu1 49.75(19) . .
C11 C4 Cu1 162.6(3) . .
C14 N4 C18 116.9(4) . .
C14 N4 Cu2 120.6(3) . .
C18 N4 Cu2 120.7(3) . .
C8 O5 Cu2 134.3(2) . 1_455
C7 C5 C3 119.1(4) . .
C7 C5 C6 119.6(3) . .
C3 C5 C6 121.3(3) . .
C32 N5 C37 116.8(4) . .
C32 N5 Cu1 118.9(3) . .
C37 N5 Cu1 123.9(3) . .
O4 C6 O3 123.0(4) . .
O4 C6 C5 119.5(4) . .
O3 C6 C5 117.5(3) . .
C17 N6 C9 125.6(4) . .
C4 O7 Cu1 100.4(2) . .
C5 C7 C11 121.7(3) . .
C30 N7 C20 124.3(4) . .
O1 C8 O5 126.1(3) . .
O1 C8 C1 118.4(3) . .
O5 C8 C1 115.4(3) . .
C35 N8 C42 114.5(7) . .
N6 C9 C34 109.9(4) . .
N6 C9 C20 108.4(4) . .
C34 C9 C20 113.0(4) . .
N2 C10 C13 110.9(4) . .
N2 C10 C36 111.4(4) . .
C13 C10 C36 109.7(4) . .
C7 C11 C2 118.8(4) . .
C7 C11 C4 120.9(3) . .
C2 C11 C4 120.2(4) . .
C28 C12 C24 117.8(4) . .
C28 C12 C17 123.6(4) . .
C24 C12 C17 118.7(4) . .
N1 C13 C10 112.6(3) . .
N1 C13 C33 109.6(4) . .
C10 C13 C33 109.7(4) . .
N4 C14 C19 123.3(4) . .
C21 C15 C19 117.2(4) . .
C21 C15 C16 118.6(4) . .
C19 C15 C16 124.1(4) . .
O6 C16 N2 122.6(4) . .
O6 C16 C15 119.4(4) . .
N2 C16 C15 118.0(4) . .
O9 C17 N6 124.0(4) . .
O9 C17 C12 121.3(4) . .
N6 C17 C12 114.7(4) . .
N4 C18 C21 123.1(4) . .
C14 C19 C15 119.1(4) . .
N7 C20 C38 111.5(4) . .
N7 C20 C9 109.8(4) . .
C38 C20 C9 111.4(4) . .
C18 C21 C15 120.4(4) . .
C29 C22 C31 116.0(4) . .
C29 C22 C23 126.5(4) . .
C31 C22 C23 117.5(4) . .
O8 C23 N1 122.5(4) . .
O8 C23 C22 120.2(4) . .
N1 C23 C22 117.3(4) . .
C26 C24 C12 119.5(4) . .
C44 C25 C45 116.0(6) . .
C44 C25 C30 118.4(6) . .
C45 C25 C30 125.6(6) . .
N3 C26 C24 123.5(4) . .
N3 C27 C28 123.8(4) . .
C12 C28 C27 119.2(4) . .
C37 C29 C22 120.3(4) . .
O10 C30 N7 122.2(5) . .
O10 C30 C25 120.3(5) . .
N7 C30 C25 117.3(5) . .
C32 C31 C22 120.2(5) . .
N5 C32 C31 123.6(5) . .
C41 C33 C13 111.2(4) . .
C9 C34 C39 112.3(4) . .
N8 C35 C45 126.0(8) . .
C43 C36 C10 110.8(4) . .
N5 C37 C29 123.1(5) . .
C20 C38 C40 110.2(5) . .
C40 C39 C34 111.3(4) . .
C39 C40 C38 110.1(5) . .
C43 C41 C33 110.4(4) . .
N8 C42 C44 124.8(8) . .
C41 C43 C36 111.3(4) . .
C25 C44 C42 119.6(8) . .
C35 C45 C25 119.1(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O7 1.978(3) .
Cu1 O7 1.978(3) 2_566
Cu1 N5 2.011(3) .
Cu1 N5 2.011(3) 2_566
Cu1 C4 2.549(4) 2_566
Cu1 C4 2.549(4) .
O1 C8 1.239(4) .
O1 Cu2 2.175(3) 2
C1 C2 1.385(5) .
C1 C3 1.397(5) .
C1 C8 1.509(5) .
N1 C23 1.348(5) .
N1 C13 1.469(5) .
Cu2 O5 1.953(2) 1_655
Cu2 O3 1.996(2) .
Cu2 N3 2.047(3) .
Cu2 N4 2.049(3) .
Cu2 O1 2.175(3) 2
O2 C4 1.233(5) .
C2 C11 1.399(5) .
N2 C16 1.327(6) .
N2 C10 1.463(5) .
O3 C6 1.280(5) .
C3 C5 1.400(5) .
N3 C27 1.337(5) .
N3 C26 1.341(5) .
O4 C6 1.235(4) .
C4 O7 1.289(5) .
C4 C11 1.492(5) .
N4 C14 1.335(5) .
N4 C18 1.343(5) .
O5 C8 1.276(4) .
O5 Cu2 1.953(2) 1_455
C5 C7 1.383(5) .
C5 C6 1.504(5) .
N5 C32 1.322(6) .
N5 C37 1.327(5) .
O6 C16 1.234(5) .
N6 C17 1.339(6) .
N6 C9 1.466(5) .
C7 C11 1.384(5) .
N7 C30 1.317(6) .
N7 C20 1.458(6) .
O8 C23 1.230(5) .
N8 C35 1.291(10) .
N8 C42 1.306(10) .
O9 C17 1.219(5) .
C9 C34 1.507(6) .
C9 C20 1.526(6) .
C10 C13 1.519(6) .
C10 C36 1.525(6) .
O10 C30 1.216(6) .
C12 C28 1.371(6) .
C12 C24 1.379(6) .
C12 C17 1.506(6) .
C13 C33 1.528(6) .
C14 C19 1.380(6) .
C15 C21 1.375(6) .
C15 C19 1.392(6) .
C15 C16 1.514(6) .
C18 C21 1.362(6) .
C20 C38 1.519(6) .
C22 C29 1.379(6) .
C22 C31 1.381(6) .
C22 C23 1.495(6) .
C24 C26 1.368(6) .
C25 C44 1.357(8) .
C25 C45 1.370(8) .
C25 C30 1.512(7) .
C27 C28 1.374(6) .
C29 C37 1.374(6) .
C31 C32 1.367(6) .
C33 C41 1.519(7) .
C34 C39 1.529(6) .
C35 C45 1.365(9) .
C36 C43 1.522(7) .
C38 C40 1.535(7) .
C39 C40 1.521(7) .
C41 C43 1.515(7) .
C42 C44 1.377(9) .
