#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:05 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180422 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/91/7209101.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_7209101
loop_
_publ_author_name
'Singh, Ajnesh'
'Sharma, Raj P.'
'Aree, Thammarat'
'Venugopalan, Paloth'
_publ_section_title
;
 Water-mediated supramolecular architecture of Co(iii)--phenanthroline
 complexes: organizational control to 2D-layers and 3D-square cavities
 through substituted aryl carboxylate anions
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1153
_journal_paper_doi               10.1039/c2ce26573g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C38 H41 Co N4 O14'
_chemical_formula_weight         836.68
_chemical_name_common
;carbonatobis(1,10-phenanthroline)cobalt(iii) 2-
methoxybenzoate.octahydrate
;
_chemical_name_systematic
;
carbonatobis(1,10-phenanthroline)cobalt(III)
2-methoxybenzoate.octahydrate
;
_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                105.26(3)
_cell_angle_beta                 102.43(3)
_cell_angle_gamma                100.50(3)
_cell_formula_units_Z            2
_cell_length_a                   11.227(2)
_cell_length_b                   12.460(3)
_cell_length_c                   15.064(3)
_cell_measurement_reflns_used    5158
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.38
_cell_measurement_theta_min      2.24
_cell_volume                     1920.4(9)
_computing_cell_refinement       'APEX2 (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'APEX2 (Bruker, 2007)'
_computing_molecular_graphics    'XP (Siemens)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.942
_diffrn_measured_fraction_theta_max 0.942
_diffrn_measurement_device_type  'Bruker KAPPA APEXII'
_diffrn_measurement_method       'combination of ω and φ'
_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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19602
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.89
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.521
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            'reddish pink'
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         6361
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0586
_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)+(0.0831P)²+0.9432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1476
_refine_ls_wR_factor_ref         0.1597
_reflns_number_gt                4720
_reflns_number_total             6361
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26573g.txt
_cod_data_source_block           7cophbz
_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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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        1920.6(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7209101
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.79954(4) 0.72882(4) 0.23090(3) 0.0453(2) Uani 1 1 d . . .
O1 O 0.9541(2) 0.7957(2) 0.21292(18) 0.0589(7) Uani 1 1 d . . .
O2 O 0.8583(2) 0.6165(2) 0.15528(18) 0.0584(7) Uani 1 1 d . . .
O3 O 1.0331(3) 0.6769(3) 0.1138(2) 0.0920(11) Uani 1 1 d . . .
O4 O 1.6793(5) 0.9425(3) 0.8068(3) 0.1333(17) Uani 1 1 d . . .
O5 O 1.4826(5) 0.8348(4) 0.7511(2) 0.1045(13) Uani 1 1 d . . .
O6 O 1.4819(4) 0.7907(4) 0.5564(3) 0.1361(18) Uani 1 1 d . . .
O7 O 1.2743(5) 0.6302(4) 0.6456(3) 0.1340(16) Uani 1 1 d . . .
H7B H 1.3477 0.6755 0.6688 0.161 Uiso 1 1 d R . .
H7C H 1.2500 0.6439 0.6968 0.161 Uiso 1 1 d R . .
O8 O 0.8953(6) 0.3509(5) 0.2326(4) 0.202(3) Uani 1 1 d . . .
H8B H 0.9366 0.3762 0.1973 0.243 Uiso 1 1 d R . .
H8C H 0.9184 0.2933 0.2370 0.243 Uiso 1 1 d R . .
O9 O 1.0467(6) 0.4398(5) 0.1138(6) 0.238(3) Uani 1 1 d U . .
H9B H 1.0153 0.3819 0.0635 0.285 Uiso 1 1 d R . .
H9C H 1.0089 0.4924 0.1068 0.285 Uiso 1 1 d R . .
O10 O 0.6089(8) 1.0340(7) 0.1204(4) 0.259(4) Uani 1 1 d U . .
H10B H 0.5456 0.9857 0.0762 0.310 Uiso 1 1 d R . .
H10C H 0.5804 1.0754 0.1611 0.310 Uiso 1 1 d R . .
O11 O 0.8793(10) 0.1303(7) 0.1795(8) 0.315(5) Uani 1 1 d U . .
H11B H 0.8781 0.0930 0.1208 0.378 Uiso 1 1 d R . .
H11C H 0.8035 0.0900 0.1738 0.378 Uiso 1 1 d R . .
O12 O 1.9914(13) 0.9274(13) 0.9323(10) 0.321(9) Uani 0.742(15) 1 d PU A 1
O12A O 1.087(3) 0.772(2) -0.0087(19) 0.195(15) Uiso 0.258(15) 1 d P . 2
O13 O 1.9252(7) 1.0127(6) 0.8376(5) 0.169(3) Uani 0.800(10) 1 d PU B 1
O13A O 1.079(2) 0.280(2) 0.0643(19) 0.145(12) Uiso 0.200(10) 1 d P . 2
O14 O 1.6583(14) 1.1045(9) 0.9613(8) 0.237(7) Uani 0.662(17) 1 d PU C 1
O14A O 1.776(2) 1.1501(16) 0.9362(14) 0.171(10) Uiso 0.338(17) 1 d P . 2
N1 N 0.7055(3) 0.7510(3) 0.1166(2) 0.0518(8) Uani 1 1 d . . .
N2 N 0.6388(3) 0.6302(2) 0.2220(2) 0.0457(7) Uani 1 1 d . . .
N3 N 0.7757(3) 0.8653(2) 0.3180(2) 0.0454(7) Uani 1 1 d . . .
N4 N 0.8858(3) 0.7079(2) 0.3481(2) 0.0462(7) Uani 1 1 d . . .
C1 C 0.9549(4) 0.6946(4) 0.1576(3) 0.0637(11) Uani 1 1 d . . .
C2 C 0.7461(5) 0.8120(4) 0.0633(3) 0.0672(11) Uani 1 1 d . . .
H2 H 0.8299 0.8537 0.0821 0.081 Uiso 1 1 calc R . .
C3 C 0.6646(6) 0.8141(4) -0.0206(3) 0.0805(14) Uani 1 1 d . . .
H3A H 0.6949 0.8570 -0.0568 0.097 Uiso 1 1 calc R . .
C4 C 0.5432(6) 0.7550(4) -0.0491(3) 0.0799(15) Uani 1 1 d . . .
H4A H 0.4901 0.7566 -0.1052 0.096 Uiso 1 1 calc R . .
C5 C 0.4963(4) 0.6912(4) 0.0051(3) 0.0639(11) Uani 1 1 d . . .
C6 C 0.5834(4) 0.6921(3) 0.0876(3) 0.0510(9) Uani 1 1 d . . .
C7 C 0.5466(3) 0.6266(3) 0.1461(3) 0.0478(9) Uani 1 1 d . . .
C8 C 0.4229(4) 0.5604(3) 0.1217(3) 0.0598(11) Uani 1 1 d . . .
C9 C 0.3360(4) 0.5631(4) 0.0385(4) 0.0775(14) Uani 1 1 d . . .
H9A H 0.2527 0.5209 0.0221 0.093 Uiso 1 1 calc R . .
C10 C 0.3705(5) 0.6244(4) -0.0169(3) 0.0788(14) Uani 1 1 d . . .
H10A H 0.3109 0.6233 -0.0709 0.095 Uiso 1 1 calc R . .
C11 C 0.3963(4) 0.4947(4) 0.1808(3) 0.0700(12) Uani 1 1 d . . .
H11A H 0.3148 0.4507 0.1690 0.084 Uiso 1 1 calc R . .
C12 C 0.4896(4) 0.4953(3) 0.2551(3) 0.0667(11) Uani 1 1 d . . .
H12A H 0.4727 0.4497 0.2931 0.080 Uiso 1 1 calc R . .
C13 C 0.6104(4) 0.5641(3) 0.2747(3) 0.0561(10) Uani 1 1 d . . .
H13A H 0.6732 0.5640 0.3262 0.067 Uiso 1 1 calc R . .
C14 C 0.7220(4) 0.9465(3) 0.2987(3) 0.0592(10) Uani 1 1 d . . .
H14A H 0.6859 0.9405 0.2353 0.071 Uiso 1 1 calc R . .
C16 C 0.7690(4) 1.0508(3) 0.4648(3) 0.0647(11) Uani 1 1 d . . .
H16A H 0.7659 1.1136 0.5131 0.078 Uiso 1 1 calc R . .
C15 C 0.7191(4) 1.0405(3) 0.3723(4) 0.0688(12) Uani 1 1 d . . .
H15A H 0.6822 1.0968 0.3573 0.083 Uiso 1 1 calc R . .
C17 C 0.8256(4) 0.9667(3) 0.4881(3) 0.0553(10) Uani 1 1 d . . .
C18 C 0.8267(3) 0.8761(3) 0.4109(3) 0.0462(9) Uani 1 1 d . . .
C19 C 0.8869(3) 0.7903(3) 0.4278(2) 0.0450(8) Uani 1 1 d . . .
C20 C 0.9447(3) 0.7936(3) 0.5211(3) 0.0564(10) Uani 1 1 d . . .
C21 C 0.9398(4) 0.8851(4) 0.5992(3) 0.0692(12) Uani 1 1 d . . .
H21A H 0.9759 0.8880 0.6617 0.083 Uiso 1 1 calc R . .
C22 C 0.8835(4) 0.9668(4) 0.5834(3) 0.0681(12) Uani 1 1 d . . .
H22A H 0.8817 1.0256 0.6356 0.082 Uiso 1 1 calc R . .
C23 C 1.0051(4) 0.7078(4) 0.5301(3) 0.0666(12) Uani 1 1 d . . .
H23A H 1.0460 0.7066 0.5904 0.080 Uiso 1 1 calc R . .
C24 C 1.0040(4) 0.6256(4) 0.4503(4) 0.0689(12) Uani 1 1 d . . .
H24A H 1.0445 0.5680 0.4561 0.083 Uiso 1 1 calc R . .
C25 C 0.9424(4) 0.6263(3) 0.3590(3) 0.0598(10) Uani 1 1 d . . .
H25A H 0.9415 0.5683 0.3052 0.072 Uiso 1 1 calc R . .
C26 C 1.6346(4) 0.7733(3) 0.6791(3) 0.0602(10) Uani 1 1 d . . .
C27 C 1.5740(4) 0.7360(4) 0.5829(3) 0.0739(12) Uani 1 1 d . . .
C28 C 1.6045(4) 0.6526(4) 0.5178(3) 0.0787(13) Uani 1 1 d . . .
H28A H 1.5617 0.6294 0.4531 0.094 Uiso 1 1 calc R . .
C29 C 1.6986(4) 0.6043(4) 0.5498(4) 0.0756(13) Uani 1 1 d . . .
H29A H 1.7174 0.5457 0.5068 0.091 Uiso 1 1 calc R . .
C30 C 1.7642(4) 0.6411(5) 0.6431(4) 0.0790(13) Uani 1 1 d . . .
H30A H 1.8295 0.6093 0.6638 0.095 Uiso 1 1 calc R . .
C31 C 1.7342(4) 0.7267(4) 0.7083(3) 0.0735(13) Uani 1 1 d . . .
H31A H 1.7813 0.7531 0.7722 0.088 Uiso 1 1 calc R . .
C32 C 1.5946(7) 0.8591(4) 0.7499(3) 0.0830(15) Uani 1 1 d . . .
C33 C 1.4267(5) 0.7733(5) 0.4616(3) 0.0753(14) Uani 1 1 d . . .
C34 C 1.3194(5) 0.6866(4) 0.4121(4) 0.0864(15) Uani 1 1 d . . .
H34A H 1.2883 0.6329 0.4396 0.104 Uiso 1 1 calc R . .
C35 C 1.2603(5) 0.6817(6) 0.3219(5) 0.0975(18) Uani 1 1 d . . .
H35A H 1.1874 0.6237 0.2878 0.117 Uiso 1 1 calc R . .
C36 C 1.3026(6) 0.7560(8) 0.2811(5) 0.108(2) Uani 1 1 d . . .
H36A H 1.2606 0.7492 0.2188 0.130 Uiso 1 1 calc R . .
C37 C 1.4042(7) 0.8401(7) 0.3285(5) 0.119(2) Uani 1 1 d . . .
H37A H 1.4327 0.8928 0.2992 0.143 Uiso 1 1 calc R . .
C38 C 1.4681(5) 0.8515(6) 0.4190(5) 0.1000(18) Uani 1 1 d . . .
H38 H 1.5394 0.9119 0.4518 0.120 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'
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
O2 Co1 O1 69.44(12) . .
O2 Co1 N4 92.71(12) . .
O1 Co1 N4 91.38(12) . .
O2 Co1 N1 89.85(12) . .
O1 Co1 N1 91.32(13) . .
N4 Co1 N1 176.80(12) . .
O2 Co1 N2 97.41(12) . .
O1 Co1 N2 166.07(12) . .
N4 Co1 N2 93.93(12) . .
N1 Co1 N2 83.83(13) . .
O2 Co1 N3 167.72(12) . .
O1 Co1 N3 98.90(12) . .
N4 Co1 N3 83.47(12) . .
N1 Co1 N3 94.42(12) . .
N2 Co1 N3 94.50(12) . .
C1 O1 Co1 89.9(2) . .
C1 O2 Co1 90.9(2) . .
C33 O6 C27 120.5(4) . .
H7B O7 H7C 98.1 . .
H8B O8 H8C 104.6 . .
H9B O9 H9C 107.8 . .
H10B O10 H10C 107.9 . .
H11B O11 H11C 93.2 . .
O14A O12A O13A 162(2) 2_876 2_765
C2 N1 C6 117.9(3) . .
C2 N1 Co1 129.1(3) . .
C6 N1 Co1 113.0(2) . .
C13 N2 C7 117.8(3) . .
C13 N2 Co1 130.1(3) . .
C7 N2 Co1 112.0(2) . .
C14 N3 C18 118.2(3) . .
C14 N3 Co1 129.9(3) . .
C18 N3 Co1 111.8(2) . .
C25 N4 C19 118.2(3) . .
C25 N4 Co1 128.5(3) . .
C19 N4 Co1 113.3(2) . .
O3 C1 O2 125.2(4) . .
O3 C1 O1 125.2(4) . .
O2 C1 O1 109.6(4) . .
N1 C2 C3 121.1(4) . .
N1 C2 H2 119.4 . .
C3 C2 H2 119.4 . .
C4 C3 C2 120.6(4) . .
C4 C3 H3A 119.7 . .
C2 C3 H3A 119.7 . .
C3 C4 C5 120.2(4) . .
C3 C4 H4A 119.9 . .
C5 C4 H4A 119.9 . .
C4 C5 C6 116.1(4) . .
C4 C5 C10 126.1(4) . .
C6 C5 C10 117.8(4) . .
N1 C6 C5 124.1(4) . .
N1 C6 C7 115.3(3) . .
C5 C6 C7 120.6(4) . .
N2 C7 C8 123.8(4) . .
N2 C7 C6 115.9(3) . .
C8 C7 C6 120.2(4) . .
C7 C8 C11 116.4(4) . .
C7 C8 C9 117.8(4) . .
C11 C8 C9 125.7(4) . .
C10 C9 C8 122.1(4) . .
C10 C9 H9A 118.9 . .
C8 C9 H9A 118.9 . .
C9 C10 C5 121.4(4) . .
C9 C10 H10A 119.3 . .
C5 C10 H10A 119.3 . .
C12 C11 C8 119.8(4) . .
C12 C11 H11A 120.1 . .
C8 C11 H11A 120.1 . .
C11 C12 C13 120.1(4) . .
C11 C12 H12A 119.9 . .
C13 C12 H12A 119.9 . .
N2 C13 C12 121.9(4) . .
N2 C13 H13A 119.0 . .
C12 C13 H13A 119.0 . .
N3 C14 C15 120.8(4) . .
N3 C14 H14A 119.6 . .
C15 C14 H14A 119.6 . .
C15 C16 C17 120.0(4) . .
C15 C16 H16A 120.0 . .
C17 C16 H16A 120.0 . .
C16 C15 C14 121.0(4) . .
C16 C15 H15A 119.5 . .
C14 C15 H15A 119.5 . .
C18 C17 C16 116.0(4) . .
C18 C17 C22 117.9(4) . .
C16 C17 C22 126.1(4) . .
N3 C18 C17 124.0(3) . .
N3 C18 C19 116.2(3) . .
C17 C18 C19 119.7(4) . .
N4 C19 C20 123.6(3) . .
N4 C19 C18 115.2(3) . .
C20 C19 C18 121.2(4) . .
C23 C20 C19 116.9(4) . .
C23 C20 C21 124.8(4) . .
C19 C20 C21 118.3(4) . .
C22 C21 C20 120.6(4) . .
C22 C21 H21A 119.7 . .
C20 C21 H21A 119.7 . .
C21 C22 C17 122.2(4) . .
C21 C22 H22A 118.9 . .
C17 C22 H22A 118.9 . .
C24 C23 C20 119.4(4) . .
C24 C23 H23A 120.3 . .
C20 C23 H23A 120.3 . .
C23 C24 C25 120.8(4) . .
C23 C24 H24A 119.6 . .
C25 C24 H24A 119.6 . .
N4 C25 C24 121.2(4) . .
N4 C25 H25A 119.4 . .
C24 C25 H25A 119.4 . .
C27 C26 C31 116.7(4) . .
C27 C26 C32 121.8(4) . .
C31 C26 C32 121.5(4) . .
C26 C27 C28 122.6(4) . .
C26 C27 O6 114.6(4) . .
C28 C27 O6 122.7(4) . .
C29 C28 C27 119.0(4) . .
C29 C28 H28A 120.5 . .
C27 C28 H28A 120.5 . .
C30 C29 C28 120.6(5) . .
C30 C29 H29A 119.7 . .
C28 C29 H29A 119.7 . .
C29 C30 C31 120.0(4) . .
C29 C30 H30A 120.0 . .
C31 C30 H30A 120.0 . .
C30 C31 C26 120.9(4) . .
C30 C31 H31A 119.6 . .
C26 C31 H31A 119.6 . .
O4 C32 O5 126.3(6) . .
O4 C32 C26 116.4(6) . .
O5 C32 C26 117.0(5) . .
C38 C33 O6 119.9(5) . .
C38 C33 C34 119.0(5) . .
O6 C33 C34 120.5(6) . .
C35 C34 C33 118.0(5) . .
C35 C34 H34A 121.0 . .
C33 C34 H34A 121.0 . .
C36 C35 C34 122.3(6) . .
C36 C35 H35A 118.8 . .
C34 C35 H35A 118.8 . .
C35 C36 C37 120.0(6) . .
C35 C36 H36A 120.0 . .
C37 C36 H36A 120.0 . .
C36 C37 C38 121.3(6) . .
C36 C37 H37A 119.3 . .
C38 C37 H37A 119.3 . .
C37 C38 C33 119.3(5) . .
C37 C38 H38 120.4 . .
C33 C38 H38 120.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O2 1.874(3) .
Co1 O1 1.890(3) .
Co1 N4 1.929(3) .
Co1 N1 1.931(3) .
Co1 N2 1.946(3) .
Co1 N3 1.957(3) .
O1 C1 1.317(5) .
O2 C1 1.307(5) .
O3 C1 1.224(5) .
O4 C32 1.241(6) .
O5 C32 1.243(6) .
O6 C33 1.370(5) .
O6 C27 1.384(5) .
O7 H7B 0.8496 .
O7 H7C 0.8594 .
O8 H8B 0.8600 .
O8 H8C 0.8201 .
O9 H9B 0.8504 .
O9 H9C 0.8605 .
O10 H10B 0.8600 .
O10 H10C 0.8501 .
O11 H11B 0.8802 .
O11 H11C 0.8801 .
O12A O14A 1.64(3) 2_876
O12A O13A 1.79(3) 2_765
O13A O12A 1.79(3) 2_765
O14A O12A 1.64(3) 2_876
N1 C2 1.336(5) .
N1 C6 1.348(5) .
N2 C13 1.329(5) .
N2 C7 1.352(4) .
N3 C14 1.332(5) .
N3 C18 1.354(4) .
N4 C25 1.320(5) .
N4 C19 1.355(5) .
C2 C3 1.401(6) .
C2 H2 0.9300 .
C3 C4 1.342(7) .
C3 H3A 0.9300 .
C4 C5 1.397(7) .
C4 H4A 0.9300 .
C5 C6 1.402(5) .
C5 C10 1.423(7) .
C6 C7 1.423(5) .
C7 C8 1.395(5) .
C8 C11 1.400(6) .
C8 C9 1.426(6) .
C9 C10 1.341(7) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.356(6) .
C11 H11A 0.9300 .
C12 C13 1.391(5) .
C12 H12A 0.9300 .
C13 H13A 0.9300 .
C14 C15 1.396(6) .
C14 H14A 0.9300 .
C16 C15 1.347(6) .
C16 C17 1.401(6) .
C16 H16A 0.9300 .
C15 H15A 0.9300 .
C17 C18 1.396(5) .
C17 C22 1.443(6) .
C18 C19 1.412(5) .
C19 C20 1.402(5) .
C20 C23 1.387(6) .
C20 C21 1.426(6) .
C21 C22 1.338(6) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
C23 C24 1.354(6) .
C23 H23A 0.9300 .
C24 C25 1.404(6) .
C24 H24A 0.9300 .
C25 H25A 0.9300 .
C26 C27 1.373(6) .
C26 C31 1.393(6) .
C26 C32 1.504(7) .
C27 C28 1.377(6) .
C28 C29 1.370(6) .
C28 H28A 0.9300 .
C29 C30 1.349(7) .
C29 H29A 0.9300 .
C30 C31 1.393(7) .
C30 H30A 0.9300 .
C31 H31A 0.9300 .
C33 C38 1.368(7) .
C33 C34 1.375(7) .
C34 C35 1.358(8) .
C34 H34A 0.9300 .
C35 C36 1.313(8) .
C35 H35A 0.9300 .
C36 C37 1.315(9) .
C36 H36A 0.9300 .
C37 C38 1.354(8) .
C37 H37A 0.9300 .
C38 H38 0.9300 .
