#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:07:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179614 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/78/4507827.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_4507827
loop_
_publ_author_name
'Fan, Liming'
'Zhang, Xiutang'
'Sun, Zhong'
'Zhang, Wei'
'Ding, Yuanshuai'
'Fan, Weiliu'
'Sun, Liming'
'Zhao, Xian'
'Lei, Han'
_publ_section_title
;
 Ancillary Ligands Dependent Structural Diversity of A Series of
 Metal--Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2462
_journal_paper_doi               10.1021/cg400172w
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C37 H30 Co N5 O6'
_chemical_formula_weight         699.59
_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                102.593(9)
_cell_angle_beta                 95.875(8)
_cell_angle_gamma                105.085(8)
_cell_formula_units_Z            2
_cell_length_a                   9.370(4)
_cell_length_b                   12.462(6)
_cell_length_c                   16.242(7)
_cell_measurement_reflns_used    1265
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.01
_cell_measurement_theta_min      2.28
_cell_volume                     1761.5(14)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω 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  0.0489
_diffrn_reflns_av_sigmaI/netI    0.1089
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8721
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.539
_exptl_absorpt_correction_T_max  0.9531
_exptl_absorpt_correction_T_min  0.8906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             724
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         6040
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1017
_refine_ls_R_factor_gt           0.0874
_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1376
_refine_ls_wR_factor_ref         0.1577
_reflns_number_gt                3687
_reflns_number_total             6040
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cg400172w_si_009.cif
_cod_data_source_block           z
_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 2.3.1 from 2005-06-27.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1761.5(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4507827
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
C1 C 0.4442(8) 0.1367(7) 0.4814(5) 0.0415(19) Uani 1 1 d .
H1 H 0.4766 0.1445 0.4302 0.050 Uiso 1 1 calc R
C2 C 0.5333(8) 0.1523(8) 0.5543(5) 0.047(2) Uani 1 1 d .
H2 H 0.6376 0.1752 0.5641 0.057 Uiso 1 1 calc R
C3 C 0.2999(7) 0.1004(6) 0.5716(4) 0.0262(15) Uani 1 1 d .
H3 H 0.2147 0.0791 0.5960 0.031 Uiso 1 1 calc R
C4 C 0.4830(9) 0.1308(8) 0.7010(5) 0.047(2) Uani 1 1 d .
C5 C 0.3864(10) 0.1461(9) 0.7589(5) 0.058(3) Uani 1 1 d .
H5 H 0.2930 0.1537 0.7405 0.070 Uiso 1 1 calc R
C6 C 0.4290(11) 0.1501(13) 0.8440(6) 0.093(5) Uani 1 1 d .
H6 H 0.3647 0.1622 0.8828 0.112 Uiso 1 1 calc R
C7 C 0.5673(10) 0.1361(13) 0.8722(6) 0.089(4) Uani 1 1 d .
C8 C 0.6567(10) 0.1106(12) 0.8113(6) 0.083(4) Uani 1 1 d .
H8 H 0.7449 0.0944 0.8281 0.099 Uiso 1 1 calc R
C9 C 0.6169(9) 0.1091(11) 0.7270(6) 0.068(3) Uani 1 1 d .
H9 H 0.6790 0.0937 0.6876 0.082 Uiso 1 1 calc R
C10 C 0.6134(11) 0.1412(14) 0.9634(6) 0.090(4) Uani 1 1 d .
C11 C 0.5333(14) 0.1595(17) 1.0238(7) 0.131(7) Uani 1 1 d .
H11 H 0.4392 0.1675 1.0080 0.157 Uiso 1 1 calc R
C12 C 0.5791(15) 0.1677(16) 1.1103(7) 0.126(7) Uani 1 1 d .
H12 H 0.5235 0.1907 1.1514 0.151 Uiso 1 1 calc R
C13 C 0.7049(10) 0.1417(12) 1.1324(6) 0.072(3) Uani 1 1 d .
H13 H 0.7635 0.2224 1.1432 0.086 Uiso 1 1 calc R
C14 C 0.7843(17) 0.111(2) 1.0718(8) 0.153(9) Uani 1 1 d .
H14 H 0.8735 0.0952 1.0865 0.184 Uiso 1 1 calc R
C15 C 0.7331(19) 0.104(2) 0.9879(7) 0.199(13) Uani 1 1 d .
H15 H 0.7817 0.0732 0.9458 0.238 Uiso 1 1 calc R
C16 C 0.8809(8) 0.1209(8) 1.2487(5) 0.046(2) Uani 1 1 d .
H16 H 0.9521 0.1066 1.2153 0.055 Uiso 1 1 calc R
C17 C 0.6774(10) 0.1558(9) 1.2878(5) 0.059(3) Uani 1 1 d .
H17 H 0.5843 0.1691 1.2879 0.070 Uiso 1 1 calc R
C18 C 0.7654(9) 0.1461(7) 1.3531(5) 0.0414(19) Uani 1 1 d .
H18 H 0.7439 0.1539 1.4084 0.050 Uiso 1 1 calc R
C19 C 0.2682(8) 0.3712(6) 0.5291(5) 0.0349(17) Uani 1 1 d .
H19 H 0.3030 0.3268 0.5609 0.042 Uiso 1 1 calc R
C20 C 0.1273(8) 0.3827(6) 0.4100(5) 0.0319(16) Uani 1 1 d .
H20 H 0.0620 0.3465 0.3585 0.038 Uiso 1 1 calc R
C21 C 0.1720(8) 0.5016(6) 0.4348(5) 0.0331(17) Uani 1 1 d .
C22 C 0.2693(8) 0.5537(6) 0.5110(5) 0.0340(17) Uani 1 1 d .
H22 H 0.3019 0.6335 0.5292 0.041 Uiso 1 1 calc R
C23 C 0.3201(8) 0.4895(6) 0.5613(5) 0.0322(16) Uani 1 1 d .
C24 C 0.4262(9) 0.5429(6) 0.6429(5) 0.0395(18) Uani 1 1 d .
C25 C 0.5361(8) 0.6469(6) 0.6563(4) 0.0307(16) Uani 1 1 d .
H25 H 0.5455 0.6838 0.6123 0.037 Uiso 1 1 calc R
C26 C 0.6325(8) 0.6972(6) 0.7341(5) 0.0364(17) Uani 1 1 d .
C27 C 0.6202(11) 0.6429(8) 0.7980(6) 0.064(3) Uani 1 1 d .
H27 H 0.6832 0.6768 0.8505 0.076 Uiso 1 1 calc R
C28 C 0.5132(14) 0.5360(9) 0.7856(7) 0.088(4) Uani 1 1 d .
H28 H 0.5092 0.4968 0.8283 0.105 Uiso 1 1 calc R
C29 C 0.4158(12) 0.4906(8) 0.7109(6) 0.065(3) Uani 1 1 d .
H29 H 0.3399 0.4227 0.7045 0.079 Uiso 1 1 calc R
C30 C 0.7469(8) 0.8133(7) 0.7484(5) 0.0356(17) Uani 1 1 d .
C31 C 0.0323(7) 0.8540(5) 0.4070(4) 0.0229(14) Uani 1 1 d .
C32 C 0.0470(8) 0.7381(6) 0.3630(4) 0.0275(15) Uani 1 1 d .
C33 C 0.0253(11) 0.6991(7) 0.2755(5) 0.054(2) Uani 1 1 d .
H33 H -0.0045 0.7428 0.2411 0.065 Uiso 1 1 calc R
C34 C 0.0472(15) 0.5962(8) 0.2386(6) 0.078(4) Uani 1 1 d .
H34 H 0.0313 0.5697 0.1793 0.094 Uiso 1 1 calc R
C35 C 0.0938(12) 0.5303(7) 0.2903(6) 0.062(3) Uani 1 1 d .
H35 H 0.1093 0.4608 0.2648 0.075 Uiso 1 1 calc R
C36 C 0.1162(8) 0.5674(6) 0.3771(5) 0.0328(16) Uani 1 1 d .
C37 C 0.0908(7) 0.6705(5) 0.4146(4) 0.0258(14) Uani 1 1 d .
H37 H 0.1026 0.6952 0.4739 0.031 Uiso 1 1 calc R
Co1 Co 0.09574(11) 0.11165(8) 0.40828(6) 0.0318(4) Uani 1 1 d .
N1 N 0.2962(6) 0.1071(5) 0.4924(3) 0.0276(13) Uani 1 1 d .
N2 N 0.4400(6) 0.1274(6) 0.6140(4) 0.0394(16) Uani 1 1 d .
N3 N 0.7535(7) 0.1419(8) 1.2189(4) 0.058(2) Uani 1 1 d .
N4 N 0.8921(6) 0.1229(5) 1.3289(4) 0.0293(13) Uani 1 1 d .
N5 N 0.1732(6) 0.3158(5) 0.4566(4) 0.0297(13) Uani 1 1 d .
O1 O 0.0276(5) 0.8751(4) 0.4845(3) 0.0319(11) Uani 1 1 d .
O2 O 0.0261(5) 0.9236(4) 0.3610(3) 0.0335(11) Uani 1 1 d .
O3 O 0.7638(5) 0.8550(4) 0.6845(3) 0.0396(13) Uani 1 1 d .
O4 O 0.8157(7) 0.8615(6) 0.8216(4) 0.0605(17) Uani 1 1 d .
O1W O 0.0056(14) 0.0866(11) 0.8317(7) 0.129(4) Uani 1 1 d D
O2W O 0.1478(18) 0.1538(16) 1.0030(11) 0.204(7) Uani 1 1 d D
H3W H 0.101(11) 0.089(5) 1.005(8) 0.080 Uiso 1 1 d D
H2W H 0.045(9) 0.136(6) 0.876(4) 0.080 Uiso 1 1 d D
H1W H 0.040(11) 0.032(6) 0.823(6) 0.080 Uiso 1 1 d D
H4W H 0.110(11) 0.178(7) 0.966(5) 0.080 Uiso 1 1 d 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'
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
C2 C1 N1 110.1(7) . .
C2 C1 H1 125.0 . .
N1 C1 H1 125.0 . .
C1 C2 N2 106.7(6) . .
C1 C2 H2 126.7 . .
N2 C2 H2 126.7 . .
N1 C3 N2 112.6(6) . .
N1 C3 H3 123.7 . .
N2 C3 H3 123.7 . .
C5 C4 C9 119.7(7) . .
C5 C4 N2 120.1(7) . .
C9 C4 N2 119.9(8) . .
C6 C5 C4 120.0(8) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C7 120.7(9) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C6 C7 C8 118.1(8) . .
C6 C7 C10 120.7(9) . .
C8 C7 C10 121.0(8) . .
C9 C8 C7 121.4(8) . .
C9 C8 H8 119.3 . .
C7 C8 H8 119.3 . .
C8 C9 C4 119.6(9) . .
C8 C9 H9 120.2 . .
C4 C9 H9 120.2 . .
C11 C10 C15 113.4(10) . .
C11 C10 C7 124.9(9) . .
C15 C10 C7 120.5(10) . .
C10 C11 C12 124.8(9) . .
C10 C11 H11 117.6 . .
C12 C11 H11 117.6 . .
C13 C12 C11 118.3(10) . .
C13 C12 H12 120.9 . .
C11 C12 H12 120.9 . .
C12 C13 C14 119.3(9) . .
C12 C13 N3 121.2(9) . .
C14 C13 N3 119.5(9) . .
C12 C13 H13 90.6 . .
C14 C13 H13 90.6 . .
N3 C13 H13 90.6 . .
C13 C14 C15 119.6(11) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C10 C15 C14 122.9(12) . .
C10 C15 H15 118.5 . .
C14 C15 H15 118.5 . .
N4 C16 N3 112.0(7) . .
N4 C16 H16 124.0 . .
N3 C16 H16 124.0 . .
C18 C17 N3 105.5(7) . .
C18 C17 H17 127.3 . .
N3 C17 H17 127.3 . .
C17 C18 N4 111.3(7) . .
C17 C18 H18 124.4 . .
N4 C18 H18 124.4 . .
N5 C19 C23 125.7(6) . .
N5 C19 H19 117.1 . .
C23 C19 H19 117.1 . .
N5 C20 C21 123.8(7) . .
N5 C20 H20 118.1 . .
C21 C20 H20 118.1 . .
C22 C21 C20 117.3(6) . .
C22 C21 C36 123.4(6) . .
C20 C21 C36 119.3(6) . .
C21 C22 C23 121.4(6) . .
C21 C22 H22 119.3 . .
C23 C22 H22 119.3 . .
C19 C23 C22 115.7(7) . .
C19 C23 C24 121.5(6) . .
C22 C23 C24 122.7(6) . .
C25 C24 C29 117.4(7) . .
C25 C24 C23 122.2(7) . .
C29 C24 C23 120.4(7) . .
C24 C25 C26 121.4(7) . .
C24 C25 H25 119.3 . .
C26 C25 H25 119.3 . .
C27 C26 C25 119.4(7) . .
C27 C26 C30 120.2(7) . .
C25 C26 C30 120.3(6) . .
C26 C27 C28 120.6(9) . .
C26 C27 H27 119.7 . .
C28 C27 H27 119.7 . .
C29 C28 C27 119.3(9) . .
C29 C28 H28 120.3 . .
C27 C28 H28 120.3 . .
C28 C29 C24 121.7(8) . .
C28 C29 H29 119.1 . .
C24 C29 H29 119.1 . .
O4 C30 O3 124.4(7) . .
O4 C30 C26 118.0(7) . .
O3 C30 C26 117.6(6) . .
O1 C31 O2 124.3(6) . .
O1 C31 C32 118.6(5) . .
O2 C31 C32 117.1(6) . .
C33 C32 C37 119.4(7) . .
C33 C32 C31 122.4(6) . .
C37 C32 C31 118.1(6) . .
C34 C33 C32 120.3(8) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C33 C34 C35 120.1(8) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C36 C35 C34 120.6(8) . .
C36 C35 H35 119.7 . .
C34 C35 H35 119.7 . .
C35 C36 C37 119.4(7) . .
C35 C36 C21 122.3(7) . .
C37 C36 C21 118.3(6) . .
C36 C37 C32 120.2(7) . .
C36 C37 H37 119.9 . .
C32 C37 H37 119.9 . .
O3 Co1 O1 165.44(19) 2_666 2_566
O3 Co1 O2 96.1(2) 2_666 1_545
O1 Co1 O2 98.42(18) 2_566 1_545
O3 Co1 N1 88.0(2) 2_666 .
O1 Co1 N1 91.2(2) 2_566 .
O2 Co1 N1 90.92(19) 1_545 .
O3 Co1 N4 93.7(2) 2_666 1_454
O1 Co1 N4 86.6(2) 2_566 1_454
O2 Co1 N4 91.23(19) 1_545 1_454
N1 Co1 N4 177.1(2) . 1_454
O3 Co1 N5 82.6(2) 2_666 .
O1 Co1 N5 82.81(19) 2_566 .
O2 Co1 N5 178.73(19) 1_545 .
N1 Co1 N5 89.4(2) . .
N4 Co1 N5 88.5(2) 1_454 .
C3 N1 C1 105.3(5) . .
C3 N1 Co1 124.8(4) . .
C1 N1 Co1 128.4(4) . .
C3 N2 C2 105.3(6) . .
C3 N2 C4 126.8(6) . .
C2 N2 C4 127.9(6) . .
C16 N3 C17 105.9(6) . .
C16 N3 C13 126.0(7) . .
C17 N3 C13 128.0(7) . .
C16 N4 C18 105.3(6) . .
C16 N4 Co1 124.3(5) . 1_656
C18 N4 Co1 130.0(5) . 1_656
C19 N5 C20 116.0(6) . .
C19 N5 Co1 122.0(4) . .
C20 N5 Co1 121.9(5) . .
C31 O1 Co1 151.6(4) . 2_566
C31 O2 Co1 125.0(4) . 1_565
C30 O3 Co1 145.3(5) . 2_666
H2W O1W H1W 114.6(2) . .
H3W O2W H4W 114.6(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.324(10) .
C1 N1 1.380(9) .
C1 H1 0.9300 .
C2 N2 1.402(10) .
C2 H2 0.9300 .
C3 N1 1.306(8) .
C3 N2 1.339(8) .
C3 H3 0.9300 .
C4 C5 1.388(12) .
C4 C9 1.394(11) .
C4 N2 1.417(9) .
C5 C6 1.386(11) .
C5 H5 0.9300 .
C6 C7 1.396(13) .
C6 H6 0.9300 .
C7 C8 1.397(14) .
C7 C10 1.483(12) .
C8 C9 1.376(12) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 C11 1.311(15) .
C10 C15 1.372(16) .
C11 C12 1.401(14) .
C11 H11 0.9300 .
C12 C13 1.336(13) .
C12 H12 0.9300 .
C13 C14 1.341(15) .
C13 N3 1.432(10) .
C13 H13 0.9800 .
C14 C15 1.374(16) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 N4 1.291(9) .
C16 N3 1.352(10) .
C16 H16 0.9300 .
C17 C18 1.323(11) .
C17 N3 1.391(11) .
C17 H17 0.9300 .
C18 N4 1.368(9) .
C18 H18 0.9300 .
C19 N5 1.328(9) .
C19 C23 1.386(10) .
C19 H19 0.9300 .
C20 N5 1.360(9) .
C20 C21 1.383(9) .
C20 H20 0.9300 .
C21 C22 1.376(10) .
C21 C36 1.511(10) .
C22 C23 1.393(10) .
C22 H22 0.9300 .
C23 C24 1.480(10) .
C24 C25 1.387(10) .
C24 C29 1.398(11) .
C25 C26 1.390(10) .
C25 H25 0.9300 .
C26 C27 1.356(10) .
C26 C30 1.514(10) .
C27 C28 1.402(13) .
C27 H27 0.9300 .
C28 C29 1.354(13) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 O4 1.233(9) .
C30 O3 1.264(8) .
C31 O1 1.238(8) .
C31 O2 1.270(8) .
C31 C32 1.512(9) .
C32 C33 1.373(10) .
C32 C37 1.415(9) .
C33 C34 1.369(12) .
C33 H33 0.9300 .
C34 C35 1.407(13) .
C34 H34 0.9300 .
C35 C36 1.360(11) .
C35 H35 0.9300 .
C36 C37 1.389(10) .
C37 H37 0.9300 .
Co1 O3 2.138(5) 2_666
Co1 O1 2.186(5) 2_566
Co1 O2 2.196(5) 1_545
Co1 N1 2.227(5) .
Co1 N4 2.244(5) 1_454
Co1 N5 2.381(5) .
N4 Co1 2.244(5) 1_656
O1 Co1 2.186(5) 2_566
O2 Co1 2.196(5) 1_565
O3 Co1 2.138(5) 2_666
O1W H2W 0.8200(13) .
O1W H1W 0.8200(11) .
O2W H3W 0.8198(15) .
O2W H4W 0.8200(11) .
