#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:25:55 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179480 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/77/4337772.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_4337772
loop_
_publ_author_name
'Biswas, Saptarshi'
'Gómez-García, Carlos J'
'Clemente-Juan, Juan M'
'Benmansour, Samia'
'Ghosh, Ashutosh'
_publ_section_title
;
 Supramolecular 2D/3D Isomerism in a Compound Containing Heterometallic
 Cu(II)2Co(II) Nodes and Dicyanamide Bridges.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2441
_journal_page_last               2449
_journal_paper_doi               10.1021/ic4023536
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C38 H32 Co Cu2 N10 O4'
_chemical_formula_weight         878.77
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 106.668(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   16.314(5)
_cell_length_b                   10.792(5)
_cell_length_c                   21.913(5)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.30
_cell_volume                     3696(2)
_computing_cell_refinement       'Bruker SMART APEX2'
_computing_data_collection       'Bruker SMART APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WINGX V1.80.03'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  '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  0.0516
_diffrn_reflns_av_sigmaI/netI    0.0513
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            25521
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    1.637
_exptl_absorpt_correction_T_max  0.9374
_exptl_absorpt_correction_T_min  0.7796
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.317
_refine_diff_density_min         -0.389
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0375
_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)+(0.0369P)²+0.8773P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0906
_reflns_number_gt                4843
_reflns_number_total             6747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4023536_si_002.cif
_cod_data_source_block           2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4337772
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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
Co1 Co 0.25871(3) -0.12915(4) 0.24870(2) 0.03149(12) Uani 1 1 d .
Cu1B Cu 0.17912(3) 0.11644(3) 0.186780(19) 0.03578(12) Uani 1 1 d .
Cu1A Cu 0.37074(3) 0.04669(4) 0.34516(2) 0.04144(13) Uani 1 1 d .
N1A N 0.3595(2) 0.0734(3) 0.43167(15) 0.0569(9) Uani 1 1 d .
O2A O 0.35862(14) 0.0015(2) 0.25687(10) 0.0408(6) Uani 1 1 d .
O1A O 0.33307(14) -0.1256(2) 0.34403(10) 0.0395(6) Uani 1 1 d .
O1B O 0.19698(14) -0.05260(18) 0.16175(10) 0.0353(5) Uani 1 1 d .
O2B O 0.19786(14) 0.03805(19) 0.26977(10) 0.0391(6) Uani 1 1 d .
N2B N 0.17913(19) 0.2814(2) 0.22611(14) 0.0447(7) Uani 1 1 d .
N7B N 0.16351(19) -0.2472(3) 0.25750(14) 0.0466(8) Uani 1 1 d .
N7A N 0.31886(18) -0.2749(3) 0.21668(14) 0.0444(7) Uani 1 1 d .
C6B C 0.1346(2) -0.0212(3) 0.05046(16) 0.0408(8) Uani 1 1 d .
N1B N 0.18281(19) 0.1771(3) 0.10252(14) 0.0442(7) Uani 1 1 d .
C2B C 0.1416(2) -0.2246(3) 0.09588(16) 0.0442(9) Uani 1 1 d .
H2B H 0.1572 -0.2776 0.1308 0.053 Uiso 1 1 calc R
C6A C 0.3333(2) -0.1451(4) 0.45271(17) 0.0495(10) Uani 1 1 d .
N2A N 0.39277(19) 0.2210(3) 0.32648(15) 0.0498(8) Uani 1 1 d .
C17A C 0.3935(2) 0.0554(3) 0.21637(16) 0.0374(8) Uani 1 1 d .
C16A C 0.3961(2) -0.0050(3) 0.16075(17) 0.0469(9) Uani 1 1 d .
H16A H 0.3713 -0.0829 0.1513 0.056 Uiso 1 1 calc R
C1A C 0.3264(2) -0.1957(3) 0.39249(16) 0.0421(9) Uani 1 1 d .
C1B C 0.1583(2) -0.0985(3) 0.10462(15) 0.0354(8) Uani 1 1 d .
C36B C 0.1225(2) -0.3206(3) 0.27216(18) 0.0442(9) Uani 1 1 d .
C7B C 0.1558(2) 0.1079(3) 0.05294(18) 0.0502(10) Uani 1 1 d .
H7B H 0.1492 0.1465 0.0139 0.060 Uiso 1 1 calc R
C12B C 0.1333(2) 0.1976(3) 0.31466(16) 0.0442(9) Uani 1 1 d .
C15B C 0.1006(3) 0.0269(4) 0.39919(19) 0.0637(12) Uani 1 1 d .
H15B H 0.0899 -0.0308 0.4275 0.076 Uiso 1 1 calc R
C13A C 0.4695(2) 0.2267(4) 0.1853(2) 0.0589(11) Uani 1 1 d .
H13A H 0.4947 0.3045 0.1937 0.071 Uiso 1 1 calc R
C7A C 0.3473(3) -0.0154(4) 0.46712(18) 0.0624(12) Uani 1 1 d .
H7A H 0.3476 0.0075 0.5081 0.075 Uiso 1 1 calc R
C3B C 0.1025(3) -0.2721(4) 0.03670(17) 0.0552(10) Uani 1 1 d .
H3B H 0.0928 -0.3570 0.0321 0.066 Uiso 1 1 calc R
C17B C 0.1580(2) 0.0738(3) 0.31173(16) 0.0378(8) Uani 1 1 d .
C12A C 0.4295(2) 0.1752(3) 0.22820(16) 0.0421(9) Uani 1 1 d .
C4B C 0.0774(3) -0.1967(4) -0.01613(18) 0.0602(11) Uani 1 1 d .
H4B H 0.0494 -0.2297 -0.0558 0.072 Uiso 1 1 calc R
C5B C 0.0940(3) -0.0732(4) -0.00932(17) 0.0554(10) Uani 1 1 d .
H5B H 0.0782 -0.0221 -0.0450 0.066 Uiso 1 1 calc R
C16B C 0.1412(2) -0.0102(4) 0.35491(16) 0.0489(9) Uani 1 1 d .
H16B H 0.1576 -0.0925 0.3539 0.059 Uiso 1 1 calc R
C11A C 0.4215(2) 0.2517(3) 0.27989(19) 0.0531(10) Uani 1 1 d .
H11A H 0.4392 0.3335 0.2795 0.064 Uiso 1 1 calc R
C14B C 0.0758(3) 0.1487(4) 0.4019(2) 0.0740(14) Uani 1 1 d .
H14B H 0.0483 0.1729 0.4317 0.089 Uiso 1 1 calc R
C2A C 0.3113(2) -0.3219(3) 0.38369(18) 0.0514(10) Uani 1 1 d .
H2A H 0.3088 -0.3578 0.3446 0.062 Uiso 1 1 calc R
C5A C 0.3219(3) -0.2223(5) 0.50102(19) 0.0690(13) Uani 1 1 d .
H5A H 0.3261 -0.1885 0.5409 0.083 Uiso 1 1 calc R
C10B C 0.2005(3) 0.3954(3) 0.1977(2) 0.0651(12) Uani 1 1 d .
H10D H 0.2622 0.4043 0.2095 0.078 Uiso 1 1 calc R
H10C H 0.1777 0.4657 0.2152 0.078 Uiso 1 1 calc R
C15A C 0.4350(2) 0.0500(4) 0.11979(18) 0.0577(11) Uani 1 1 d .
H15A H 0.4363 0.0081 0.0830 0.069 Uiso 1 1 calc R
C4A C 0.3051(3) -0.3447(5) 0.4912(2) 0.0742(14) Uani 1 1 d .
H4A H 0.2971 -0.3942 0.5238 0.089 Uiso 1 1 calc R
C10A C 0.3860(3) 0.3229(4) 0.3691(2) 0.0731(13) Uani 1 1 d .
H10A H 0.3264 0.3467 0.3606 0.088 Uiso 1 1 calc R
H10B H 0.4173 0.3941 0.3606 0.088 Uiso 1 1 calc R
C14A C 0.4719(3) 0.1649(4) 0.1317(2) 0.0685(13) Uani 1 1 d .
H14A H 0.4984 0.2001 0.1035 0.082 Uiso 1 1 calc R
C11B C 0.1516(2) 0.2944(3) 0.27468(18) 0.0525(10) Uani 1 1 d .
H11B H 0.1422 0.3753 0.2857 0.063 Uiso 1 1 calc R
C9B C 0.1659(3) 0.3979(3) 0.1262(2) 0.0656(12) Uani 1 1 d .
H9C H 0.1048 0.3819 0.1144 0.079 Uiso 1 1 calc R
H9D H 0.1741 0.4802 0.1111 0.079 Uiso 1 1 calc R
C8B C 0.2075(3) 0.3049(3) 0.09360(19) 0.0632(12) Uani 1 1 d .
H8C H 0.1918 0.3233 0.0484 0.076 Uiso 1 1 calc R
H8D H 0.2691 0.3127 0.1101 0.076 Uiso 1 1 calc R
C13B C 0.0921(3) 0.2334(4) 0.36036(19) 0.0658(12) Uani 1 1 d .
H13B H 0.0758 0.3156 0.3623 0.079 Uiso 1 1 calc R
C3A C 0.2998(3) -0.3951(4) 0.4325(2) 0.0683(13) Uani 1 1 d .
H3A H 0.2885 -0.4791 0.4256 0.082 Uiso 1 1 calc R
C9A C 0.4203(3) 0.2873(4) 0.4372(2) 0.0825(15) Uani 1 1 d .
H9A H 0.4759 0.2488 0.4434 0.099 Uiso 1 1 calc R
H9B H 0.4287 0.3617 0.4630 0.099 Uiso 1 1 calc R
C8A C 0.3648(4) 0.2013(5) 0.4598(2) 0.0954(18) Uani 1 1 d .
H8A H 0.3077 0.2360 0.4496 0.114 Uiso 1 1 calc R
H8B H 0.3862 0.1949 0.5058 0.114 Uiso 1 1 calc R
C35B C 0.0204(2) -0.4021(3) 0.31303(17) 0.0430(9) Uani 1 1 d .
C36A C 0.3452(2) -0.3571(3) 0.19609(18) 0.0454(9) Uani 1 1 d .
N6B N 0.0821(2) -0.4139(3) 0.2868(2) 0.0775(12) Uani 1 1 d .
N6A N 0.3687(2) -0.4595(3) 0.1746(2) 0.0861(13) Uani 1 1 d .
N5B N -0.0333(2) -0.4046(3) 0.33690(15) 0.0531(8) Uani 1 1 d .
N5A N 0.4786(2) -0.4848(3) 0.12097(15) 0.0540(8) Uani 1 1 d .
C35A C 0.4282(2) -0.4661(3) 0.14631(18) 0.0431(9) Uani 1 1 d .
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'
Co Co 0.3494 0.9721 '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_3
O1B Co1 N7B 98.81(10) .
O1B Co1 N7A 98.31(10) .
N7B Co1 N7A 90.29(12) .
O1B Co1 O1A 155.09(9) .
N7B Co1 O1A 98.89(10) .
N7A Co1 O1A 98.99(10) .
O1B Co1 O2A 88.37(9) .
N7B Co1 O2A 169.65(10) .
N7A Co1 O2A 96.07(10) .
O1A Co1 O2A 72.09(8) .
O1B Co1 O2B 74.39(8) .
N7B Co1 O2B 95.23(10) .
N7A Co1 O2B 171.42(10) .
O1A Co1 O2B 86.67(9) .
O2A Co1 O2B 79.45(9) .
O2B Cu1B O1B 81.97(9) .
O2B Cu1B N1B 167.71(10) .
O1B Cu1B N1B 90.00(10) .
O2B Cu1B N2B 90.21(11) .
O1B Cu1B N2B 169.39(11) .
N1B Cu1B N2B 96.48(12) .
O2B Cu1B N5B 92.47(10) 2
O1B Cu1B N5B 94.16(10) 2
N1B Cu1B N5B 97.40(12) 2
N2B Cu1B N5B 93.33(11) 2
O2A Cu1A O1A 78.91(9) .
O2A Cu1A N1A 167.70(11) .
O1A Cu1A N1A 92.04(12) .
O2A Cu1A N2A 90.31(11) .
O1A Cu1A N2A 167.29(11) .
N1A Cu1A N2A 97.56(14) .
O2A Cu1A N5A 94.33(10) 2_655
O1A Cu1A N5A 99.26(10) 2_655
N1A Cu1A N5A 95.36(12) 2_655
N2A Cu1A N5A 88.15(12) 2_655
C7A N1A C8A 116.0(3) .
C7A N1A Cu1A 122.9(3) .
C8A N1A Cu1A 121.1(3) .
C17A O2A Cu1A 128.1(2) .
C17A O2A Co1 134.8(2) .
Cu1A O2A Co1 96.12(9) .
C1A O1A Cu1A 128.8(2) .
C1A O1A Co1 128.9(2) .
Cu1A O1A Co1 96.90(9) .
C1B O1B Cu1B 123.09(19) .
C1B O1B Co1 134.3(2) .
Cu1B O1B Co1 100.85(9) .
C17B O2B Cu1B 122.9(2) .
C17B O2B Co1 137.2(2) .
Cu1B O2B Co1 96.96(9) .
C11B N2B C10B 116.4(3) .
C11B N2B Cu1B 120.5(2) .
C10B N2B Cu1B 122.8(2) .
C36B N7B Co1 167.0(3) .
C36A N7A Co1 174.4(3) .
C5B C6B C1B 119.4(3) .
C5B C6B C7B 117.9(3) .
C1B C6B C7B 122.6(3) .
C7B N1B C8B 118.3(3) .
C7B N1B Cu1B 120.1(2) .
C8B N1B Cu1B 121.3(2) .
C3B C2B C1B 121.1(3) .
C3B C2B H2B 119.5 .
C1B C2B H2B 119.5 .
C5A C6A C1A 119.2(4) .
C5A C6A C7A 117.4(4) .
C1A C6A C7A 123.4(3) .
C11A N2A C10A 115.1(3) .
C11A N2A Cu1A 122.6(3) .
C10A N2A Cu1A 121.9(3) .
O2A C17A C16A 120.6(3) .
O2A C17A C12A 121.1(3) .
C16A C17A C12A 118.3(3) .
C15A C16A C17A 120.3(4) .
C15A C16A H16A 119.8 .
C17A C16A H16A 119.8 .
O1A C1A C2A 119.9(3) .
O1A C1A C6A 121.7(3) .
C2A C1A C6A 118.4(3) .
O1B C1B C2B 121.1(3) .
O1B C1B C6B 121.0(3) .
C2B C1B C6B 117.9(3) .
N7B C36B N6B 172.9(4) .
N1B C7B C6B 128.1(3) .
N1B C7B H7B 116.0 .
C6B C7B H7B 116.0 .
C17B C12B C13B 119.6(3) .
C17B C12B C11B 123.3(3) .
C13B C12B C11B 117.0(3) .
C14B C15B C16B 120.7(4) .
C14B C15B H15B 119.6 .
C16B C15B H15B 119.6 .
C14A C13A C12A 121.2(4) .
C14A C13A H13A 119.4 .
C12A C13A H13A 119.4 .
N1A C7A C6A 129.5(4) .
N1A C7A H7A 115.3 .
C6A C7A H7A 115.3 .
C2B C3B C4B 121.3(4) .
C2B C3B H3B 119.3 .
C4B C3B H3B 119.3 .
O2B C17B C16B 120.8(3) .
O2B C17B C12B 120.9(3) .
C16B C17B C12B 118.3(3) .
C13A C12A C17A 119.2(3) .
C13A C12A C11A 117.7(3) .
C17A C12A C11A 123.0(3) .
C5B C4B C3B 119.0(4) .
C5B C4B H4B 120.5 .
C3B C4B H4B 120.5 .
C4B C5B C6B 121.3(3) .
C4B C5B H5B 119.3 .
C6B C5B H5B 119.3 .
C15B C16B C17B 121.1(4) .
C15B C16B H16B 119.5 .
C17B C16B H16B 119.5 .
N2A C11A C12A 127.9(3) .
N2A C11A H11A 116.0 .
C12A C11A H11A 116.0 .
C13B C14B C15B 119.4(4) .
C13B C14B H14B 120.3 .
C15B C14B H14B 120.3 .
C3A C2A C1A 120.6(4) .
C3A C2A H2A 119.7 .
C1A C2A H2A 119.7 .
C4A C5A C6A 121.7(4) .
C4A C5A H5A 119.2 .
C6A C5A H5A 119.2 .
N2B C10B C9B 113.1(3) .
N2B C10B H10D 109.0 .
C9B C10B H10D 109.0 .
N2B C10B H10C 109.0 .
C9B C10B H10C 109.0 .
H10D C10B H10C 107.8 .
C14A C15A C16A 121.8(4) .
C14A C15A H15A 119.1 .
C16A C15A H15A 119.1 .
C5A C4A C3A 119.2(4) .
C5A C4A H4A 120.4 .
C3A C4A H4A 120.4 .
N2A C10A C9A 111.7(4) .
N2A C10A H10A 109.3 .
C9A C10A H10A 109.3 .
N2A C10A H10B 109.3 .
C9A C10A H10B 109.3 .
H10A C10A H10B 107.9 .
C13A C14A C15A 119.2(4) .
C13A C14A H14A 120.4 .
C15A C14A H14A 120.4 .
N2B C11B C12B 127.4(3) .
N2B C11B H11B 116.3 .
C12B C11B H11B 116.3 .
C8B C9B C10B 113.4(3) .
C8B C9B H9C 108.9 .
C10B C9B H9C 108.9 .
C8B C9B H9D 108.9 .
C10B C9B H9D 108.9 .
H9C C9B H9D 107.7 .
N1B C8B C9B 112.8(3) .
N1B C8B H8C 109.0 .
C9B C8B H8C 109.0 .
N1B C8B H8D 109.0 .
C9B C8B H8D 109.0 .
H8C C8B H8D 107.8 .
C14B C13B C12B 120.8(4) .
C14B C13B H13B 119.6 .
C12B C13B H13B 119.6 .
C4A C3A C2A 120.8(4) .
C4A C3A H3A 119.6 .
C2A C3A H3A 119.6 .
C8A C9A C10A 114.1(4) .
C8A C9A H9A 108.7 .
C10A C9A H9A 108.7 .
C8A C9A H9B 108.7 .
C10A C9A H9B 108.7 .
H9A C9A H9B 107.6 .
C9A C8A N1A 114.1(4) .
C9A C8A H8A 108.7 .
N1A C8A H8A 108.7 .
C9A C8A H8B 108.7 .
N1A C8A H8B 108.7 .
H8A C8A H8B 107.6 .
N5B C35B N6B 173.0(4) .
N7A C36A N6A 173.0(4) .
C36B N6B C35B 123.2(3) .
C35A N6A C36A 124.0(3) .
C35B N5B Cu1B 140.8(3) 2_545
C35A N5A Cu1A 130.6(3) 2_645
N5A C35A N6A 172.9(4) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1B 2.056(2) .
Co1 N7B 2.060(3) .
Co1 N7A 2.080(3) .
Co1 O1A 2.094(2) .
Co1 O2A 2.124(2) .
Co1 O2B 2.172(2) .
Cu1B O2B 1.949(2) .
Cu1B O1B 1.951(2) .
Cu1B N1B 1.976(3) .
Cu1B N2B 1.978(3) .
Cu1B N5B 2.296(3) 2
Cu1A O2A 1.949(2) .
Cu1A O1A 1.956(2) .
Cu1A N1A 1.977(3) .
Cu1A N2A 1.980(3) .
Cu1A N5A 2.379(3) 2_655
N1A C7A 1.285(5) .
N1A C8A 1.504(5) .
O2A C17A 1.319(3) .
O1A C1A 1.334(4) .
O1B C1B 1.326(4) .
O2B C17B 1.327(3) .
N2B C11B 1.276(4) .
N2B C10B 1.465(4) .
N7B C36B 1.140(4) .
N7A C36A 1.135(4) .
C6B C5B 1.404(5) .
C6B C1B 1.411(4) .
C6B C7B 1.433(5) .
N1B C7B 1.288(4) .
N1B C8B 1.466(4) .
C2B C3B 1.370(5) .
C2B C1B 1.390(4) .
C2B H2B 0.9300 .
C6A C5A 1.400(5) .
C6A C1A 1.402(5) .
C6A C7A 1.439(5) .
N2A C11A 1.283(4) .
N2A C10A 1.468(5) .
C17A C16A 1.393(5) .
C17A C12A 1.412(5) .
C16A C15A 1.374(5) .
C16A H16A 0.9300 .
C1A C2A 1.388(5) .
C36B N6B 1.294(5) .
C7B H7B 0.9300 .
C12B C17B 1.402(5) .
C12B C13B 1.411(5) .
C12B C11B 1.448(5) .
C15B C14B 1.381(6) .
C15B C16B 1.381(5) .
C15B H15B 0.9300 .
C13A C14A 1.363(6) .
C13A C12A 1.403(5) .
C13A H13A 0.9300 .
C7A H7A 0.9300 .
C3B C4B 1.378(5) .
C3B H3B 0.9300 .
C17B C16B 1.393(5) .
C12A C11A 1.438(5) .
C4B C5B 1.359(5) .
C4B H4B 0.9300 .
C5B H5B 0.9300 .
C16B H16B 0.9300 .
C11A H11A 0.9300 .
C14B C13B 1.370(5) .
C14B H14B 0.9300 .
C2A C3A 1.385(5) .
C2A H2A 0.9300 .
C5A C4A 1.354(6) .
C5A H5A 0.9300 .
C10B C9B 1.507(5) .
C10B H10D 0.9700 .
C10B H10C 0.9700 .
C15A C14A 1.371(6) .
C15A H15A 0.9300 .
C4A C3A 1.377(6) .
C4A H4A 0.9300 .
C10A C9A 1.486(6) .
C10A H10A 0.9700 .
C10A H10B 0.9700 .
C14A H14A 0.9300 .
C11B H11B 0.9300 .
C9B C8B 1.502(5) .
C9B H9C 0.9700 .
C9B H9D 0.9700 .
C8B H8C 0.9700 .
C8B H8D 0.9700 .
C13B H13B 0.9300 .
C3A H3A 0.9300 .
C9A C8A 1.477(6) .
C9A H9A 0.9700 .
C9A H9B 0.9700 .
C8A H8A 0.9700 .
C8A H8B 0.9700 .
C35B N5B 1.141(4) .
C35B N6B 1.301(5) .
C36A N6A 1.301(5) .
N6A C35A 1.295(5) .
N5B Cu1B 2.296(3) 2_545
N5A C35A 1.135(4) .
N5A Cu1A 2.379(3) 2_645
