#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/58/7035800.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_7035800
loop_
_publ_author_name
'Han, Min-Le'
'Bai, Liang'
'Tang, Ping'
'Wu, Xue-Qian'
'Wu, Ya-Pan'
'Zhao, Jun'
'Li, Dong-Sheng'
'Wang, Yao-Yu'
_publ_section_title
;
 Biphenyl-2,4,6,3',5'-pentacarboxylic acid as a tecton for six new Co(ii)
 coordination polymers: pH and N-donor ligand-dependent assemblies,
 structure diversities and magnetic properties.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14673
_journal_page_last               14685
_journal_paper_doi               10.1039/c5dt02147b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C74 H48 Co2 N8 O20'
_chemical_formula_weight         1487.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   CONSTR
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-07-07 deposited with the CCDC.
2015-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 120.25(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.539(7)
_cell_length_b                   15.879(9)
_cell_length_c                   19.394(9)
_cell_measurement_reflns_used    7858
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.8
_cell_volume                     3336(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean none
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0728
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29790
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.767
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.582
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_meas      ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1524
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.861
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0603
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0706P)²+2.6396P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.1617
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5416
_reflns_number_total             6212
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt02147b2.cif
_cod_data_source_block           Z
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

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

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035800--7035805.cif.
;
_cod_database_code               7035800
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.892
_shelx_estimated_absorpt_t_max   0.913
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Co1 Co 0.06104(4) 0.37069(3) 0.06754(3) 0.03265(16) Uani 1 1 d . .
O1 O 0.0971(2) 0.49474(15) 0.10167(14) 0.0380(5) Uani 1 1 d . .
O2 O -0.0249(2) 0.60722(16) 0.04995(14) 0.0422(6) Uani 1 1 d . .
O3 O -0.2962(3) 0.5304(3) 0.18971(19) 0.0773(11) Uani 1 1 d . .
O4 O -0.1859(3) 0.5537(3) 0.32079(17) 0.0709(10) Uani 1 1 d . .
H4A H -0.2392 0.5258 0.3229 0.106 Uiso 1 1 calc R U
O5 O 0.3272(3) 0.6647(2) 0.40832(18) 0.0703(9) Uani 1 1 d . .
O6 O 0.2476(3) 0.5787(2) 0.46132(17) 0.0726(10) Uani 1 1 d . .
H6A H 0.3152 0.5847 0.5017 0.109 Uiso 1 1 calc R U
O7 O 0.3472(3) 0.7800(2) 0.1411(2) 0.0854(12) Uani 1 1 d . .
H7A H 0.3754 0.8212 0.1304 0.128 Uiso 1 1 calc R U
O8 O 0.5364(3) 0.7324(3) 0.1895(3) 0.1071(16) Uani 1 1 d . .
O9 O 0.5507(2) 0.41994(19) 0.39459(18) 0.0583(8) Uani 1 1 d . .
O10 O 0.6674(3) 0.4754(2) 0.35398(19) 0.0663(9) Uani 1 1 d . .
N1 N 0.2468(2) 0.34645(18) 0.09845(16) 0.0347(6) Uani 1 1 d . .
N2 N 0.0540(3) 0.24355(18) 0.03113(17) 0.0382(6) Uani 1 1 d . .
N3 N -0.1225(3) 0.38052(19) 0.04939(19) 0.0424(7) Uani 1 1 d . .
N4 N 0.0827(3) 0.3305(2) 0.17952(18) 0.0459(7) Uani 1 1 d . .
C1 C 0.0350(3) 0.55555(19) 0.10445(18) 0.0295(6) Uani 1 1 d . .
C2 C 0.0328(3) 0.5680(2) 0.18084(19) 0.0309(7) Uani 1 1 d . .
C3 C -0.0789(3) 0.5606(2) 0.1791(2) 0.0365(7) Uani 1 1 d . .
H3 H -0.1513 0.5518 0.1308 0.044 Uiso 1 1 calc R U
C4 C -0.0831(3) 0.5663(2) 0.2493(2) 0.0371(7) Uani 1 1 d . .
C5 C -0.2006(4) 0.5482(3) 0.2488(2) 0.0483(9) Uani 1 1 d . .
C6 C 0.0246(3) 0.5840(2) 0.3204(2) 0.0386(8) Uani 1 1 d . .
H6 H 0.0217 0.5889 0.3672 0.046 Uiso 1 1 calc R U
C7 C 0.1365(3) 0.5946(2) 0.32303(19) 0.0346(7) Uani 1 1 d . .
C8 C 0.1426(3) 0.5850(2) 0.25309(19) 0.0310(7) Uani 1 1 d . .
C9 C 0.2471(3) 0.6170(2) 0.4013(2) 0.0415(8) Uani 1 1 d . .
C10 C 0.2630(3) 0.5904(2) 0.25539(18) 0.0313(7) Uani 1 1 d . .
C11 C 0.2859(3) 0.6530(2) 0.2152(2) 0.0374(7) Uani 1 1 d . .
H11 H 0.2250 0.6924 0.1851 0.045 Uiso 1 1 calc R U
C12 C 0.4008(3) 0.6575(2) 0.2195(2) 0.0418(8) Uani 1 1 d . .
C13 C 0.4910(3) 0.5988(2) 0.2640(2) 0.0381(8) Uani 1 1 d . .
H13 H 0.5669 0.6014 0.2663 0.046 Uiso 1 1 calc R U
C14 C 0.4694(3) 0.5358(2) 0.30516(18) 0.0316(7) Uani 1 1 d . .
C15 C 0.3560(3) 0.5317(2) 0.30111(18) 0.0306(7) Uani 1 1 d . .
H15 H 0.3414 0.4898 0.3288 0.037 Uiso 1 1 calc R U
C16 C 0.4354(4) 0.7267(3) 0.1823(3) 0.0610(12) Uani 1 1 d . .
C17 C 0.5703(3) 0.4737(2) 0.3549(2) 0.0379(8) Uani 1 1 d . .
C18 C 0.3413(3) 0.4003(3) 0.1358(2) 0.0459(9) Uani 1 1 d . .
H18 H 0.3272 0.4523 0.1518 0.055 Uiso 1 1 calc R U
C19 C 0.4590(4) 0.3812(3) 0.1515(3) 0.0567(11) Uani 1 1 d . .
H19 H 0.5231 0.4197 0.1778 0.068 Uiso 1 1 calc R U
C20 C 0.4796(4) 0.3049(3) 0.1276(3) 0.0620(12) Uani 1 1 d . .
H20 H 0.5582 0.2906 0.1377 0.074 Uiso 1 1 calc R U
C21 C 0.3824(4) 0.2489(3) 0.0882(3) 0.0549(10) Uani 1 1 d . .
H21 H 0.3948 0.1973 0.0707 0.066 Uiso 1 1 calc R U
C22 C 0.2664(3) 0.2707(2) 0.0750(2) 0.0386(8) Uani 1 1 d . .
C23 C 0.1580(3) 0.2141(2) 0.0354(2) 0.0380(8) Uani 1 1 d . .
C24 C 0.1606(4) 0.1368(2) 0.0040(3) 0.0530(10) Uani 1 1 d . .
H24 H 0.2335 0.1166 0.0086 0.064 Uiso 1 1 calc R U
C25 C 0.0531(5) 0.0895(3) -0.0345(3) 0.0650(12) Uani 1 1 d . .
H25 H 0.0531 0.0376 -0.0568 0.078 Uiso 1 1 calc R U
C26 C -0.0521(5) 0.1194(3) -0.0396(3) 0.0614(12) Uani 1 1 d . .
H26 H -0.1251 0.0885 -0.0651 0.074 Uiso 1 1 calc R U
C27 C -0.0480(4) 0.1961(3) -0.0060(2) 0.0503(9) Uani 1 1 d . .
H27 H -0.1199 0.2164 -0.0093 0.060 Uiso 1 1 calc R U
C28 C -0.2220(4) 0.4081(3) -0.0168(3) 0.0532(10) Uani 1 1 d . .
H28 H -0.2133 0.4238 -0.0599 0.064 Uiso 1 1 calc R U
C29 C -0.3362(4) 0.4146(3) -0.0241(3) 0.0658(12) Uani 1 1 d . .
H29 H -0.4039 0.4331 -0.0715 0.079 Uiso 1 1 calc R U
C30 C -0.3479(5) 0.3930(4) 0.0401(4) 0.0819(16) Uani 1 1 d . .
H30 H -0.4242 0.3972 0.0370 0.098 Uiso 1 1 calc R U
C31 C -0.2462(5) 0.3651(3) 0.1095(3) 0.0727(14) Uani 1 1 d . .
H31 H -0.2530 0.3511 0.1536 0.087 Uiso 1 1 calc R U
C32 C -0.1347(4) 0.3582(2) 0.1125(2) 0.0459(9) Uani 1 1 d . .
C33 C -0.0203(4) 0.3295(2) 0.1845(2) 0.0471(9) Uani 1 1 d . .
C34 C -0.0174(5) 0.3020(3) 0.2536(3) 0.0670(13) Uani 1 1 d . .
H34 H -0.0894 0.3014 0.2563 0.080 Uiso 1 1 calc R U
C35 C 0.0914(6) 0.2759(3) 0.3174(3) 0.0770(15) Uani 1 1 d . .
H35 H 0.0939 0.2578 0.3637 0.092 Uiso 1 1 calc R U
C36 C 0.1985(5) 0.2764(3) 0.3128(3) 0.0730(14) Uani 1 1 d . .
H36 H 0.2734 0.2583 0.3553 0.088 Uiso 1 1 calc R U
C37 C 0.1891(4) 0.3050(3) 0.2429(2) 0.0590(11) Uani 1 1 d . .
H37 H 0.2604 0.3066 0.2395 0.071 Uiso 1 1 calc R U
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'
Co Co 0.3494 0.9721 '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'
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
O1 Co1 O2 94.64(10) . 3_565
O1 Co1 N2 169.43(10) . .
O2 Co1 N2 81.33(11) 3_565 .
O1 Co1 N1 92.90(10) . .
O2 Co1 N1 86.78(10) 3_565 .
N2 Co1 N1 77.18(11) . .
O1 Co1 N4 93.67(11) . .
O2 Co1 N4 171.22(11) 3_565 .
N2 Co1 N4 90.96(12) . .
N1 Co1 N4 95.66(12) . .
O1 Co1 N3 91.54(10) . .
O2 Co1 N3 100.39(11) 3_565 .
N2 Co1 N3 98.78(11) . .
N1 Co1 N3 171.24(11) . .
N4 Co1 N3 76.52(13) . .
C1 O1 Co1 135.1(2) . .
C1 O2 Co1 137.1(2) . 3_565
C5 O4 H4A 109.5 . .
C9 O6 H6A 109.5 . .
C16 O7 H7A 109.5 . .
C18 N1 C22 119.2(3) . .
C18 N1 Co1 125.6(3) . .
C22 N1 Co1 115.2(2) . .
C27 N2 C23 118.1(3) . .
C27 N2 Co1 125.5(3) . .
C23 N2 Co1 115.6(2) . .
C28 N3 C32 118.6(3) . .
C28 N3 Co1 125.8(3) . .
C32 N3 Co1 115.6(3) . .
C33 N4 C37 118.6(3) . .
C33 N4 Co1 116.1(3) . .
C37 N4 Co1 125.3(3) . .
O2 C1 O1 126.1(3) . .
O2 C1 C2 116.4(3) . .
O1 C1 C2 117.4(3) . .
C3 C2 C8 120.5(3) . .
C3 C2 C1 118.9(3) . .
C8 C2 C1 120.6(3) . .
C2 C3 C4 120.4(3) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C6 C4 C3 119.2(3) . .
C6 C4 C5 120.5(3) . .
C3 C4 C5 120.2(3) . .
O3 C5 O4 124.5(4) . .
O3 C5 C4 123.8(3) . .
O4 C5 C4 111.7(3) . .
C7 C6 C4 121.4(3) . .
C7 C6 H6 119.3 . .
C4 C6 H6 119.3 . .
C6 C7 C8 119.8(3) . .
C6 C7 C9 118.0(3) . .
C8 C7 C9 122.2(3) . .
C7 C8 C2 118.7(3) . .
C7 C8 C10 120.8(3) . .
C2 C8 C10 120.5(3) . .
O5 C9 O6 124.0(4) . .
O5 C9 C7 123.8(3) . .
O6 C9 C7 112.2(3) . .
C11 C10 C15 119.5(3) . .
C11 C10 C8 121.4(3) . .
C15 C10 C8 119.2(3) . .
C10 C11 C12 120.2(3) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 119.8(3) . .
C13 C12 C16 116.9(3) . .
C11 C12 C16 123.2(3) . .
C12 C13 C14 120.6(3) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C15 C14 C13 119.6(3) . .
C15 C14 C17 120.8(3) . .
C13 C14 C17 119.7(3) . .
C14 C15 C10 120.4(3) . .
C14 C15 H15 119.8 . .
C10 C15 H15 119.8 . .
O8 C16 O7 122.8(4) . .
O8 C16 C12 122.9(4) . .
O7 C16 C12 114.3(4) . .
O10 C17 O9 121.7(3) . .
O10 C17 C14 119.7(3) . .
O9 C17 C14 118.6(3) . .
N1 C18 C19 122.4(4) . .
N1 C18 H18 118.8 . .
C19 C18 H18 118.8 . .
C20 C19 C18 118.8(4) . .
C20 C19 H19 120.6 . .
C18 C19 H19 120.6 . .
C19 C20 C21 119.5(4) . .
C19 C20 H20 120.3 . .
C21 C20 H20 120.3 . .
C20 C21 C22 119.4(4) . .
C20 C21 H21 120.3 . .
C22 C21 H21 120.3 . .
N1 C22 C21 120.7(3) . .
N1 C22 C23 116.0(3) . .
C21 C22 C23 123.3(4) . .
N2 C23 C24 121.3(3) . .
N2 C23 C22 115.4(3) . .
C24 C23 C22 123.3(3) . .
C23 C24 C25 119.1(4) . .
C23 C24 H24 120.4 . .
C25 C24 H24 120.4 . .
C26 C25 C24 119.7(4) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C25 C26 C27 118.2(4) . .
C25 C26 H26 120.9 . .
C27 C26 H26 120.9 . .
N2 C27 C26 123.6(4) . .
N2 C27 H27 118.2 . .
C26 C27 H27 118.2 . .
N3 C28 C29 123.1(4) . .
N3 C28 H28 118.4 . .
C29 C28 H28 118.4 . .
C28 C29 C30 118.2(5) . .
C28 C29 H29 120.9 . .
C30 C29 H29 120.9 . .
C29 C30 C31 119.8(4) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C32 C31 C30 119.3(4) . .
C32 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
N3 C32 C31 121.0(4) . .
N3 C32 C33 115.7(3) . .
C31 C32 C33 123.2(4) . .
N4 C33 C34 120.9(4) . .
N4 C33 C32 116.1(3) . .
C34 C33 C32 123.1(4) . .
C35 C34 C33 119.8(5) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C34 C35 C36 119.9(4) . .
C34 C35 H35 120.1 . .
C36 C35 H35 120.1 . .
C37 C36 C35 117.3(5) . .
C37 C36 H36 121.3 . .
C35 C36 H36 121.3 . .
N4 C37 C36 123.6(5) . .
N4 C37 H37 118.2 . .
C36 C37 H37 118.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.055(3) .
Co1 O2 2.116(3) 3_565
Co1 N2 2.126(3) .
Co1 N1 2.128(3) .
Co1 N4 2.145(3) .
Co1 N3 2.152(3) .
O1 C1 1.259(4) .
O2 C1 1.247(4) .
O2 Co1 2.116(3) 3_565
O3 C5 1.202(5) .
O4 C5 1.316(5) .
O4 H4A 0.8200 .
O5 C9 1.211(5) .
O6 C9 1.310(5) .
O6 H6A 0.8200 .
O7 C16 1.299(5) .
O7 H7A 0.8200 .
O8 C16 1.206(6) .
O9 C17 1.253(4) .
O10 C17 1.228(4) .
N1 C18 1.340(5) .
N1 C22 1.352(5) .
N2 C27 1.339(5) .
N2 C23 1.347(5) .
N3 C28 1.335(5) .
N3 C32 1.356(5) .
N4 C33 1.342(5) .
N4 C37 1.343(5) .
C1 C2 1.509(4) .
C2 C3 1.389(5) .
C2 C8 1.410(4) .
C3 C4 1.391(5) .
C3 H3 0.9300 .
C4 C6 1.389(5) .
C4 C5 1.497(5) .
C6 C7 1.388(5) .
C6 H6 0.9300 .
C7 C8 1.405(5) .
C7 C9 1.495(5) .
C8 C10 1.491(4) .
C10 C11 1.381(5) .
C10 C15 1.404(4) .
C11 C12 1.402(5) .
C11 H11 0.9300 .
C12 C13 1.381(5) .
C12 C16 1.494(5) .
C13 C14 1.390(5) .
C13 H13 0.9300 .
C14 C15 1.385(4) .
C14 C17 1.508(5) .
C15 H15 0.9300 .
C18 C19 1.382(6) .
C18 H18 0.9300 .
C19 C20 1.369(7) .
C19 H19 0.9300 .
C20 C21 1.385(6) .
C20 H20 0.9300 .
C21 C22 1.388(5) .
C21 H21 0.9300 .
C22 C23 1.481(5) .
C23 C24 1.379(5) .
C24 C25 1.387(6) .
C24 H24 0.9300 .
C25 C26 1.359(7) .
C25 H25 0.9300 .
C26 C27 1.370(6) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.369(6) .
C28 H28 0.9300 .
C29 C30 1.370(7) .
C29 H29 0.9300 .
C30 C31 1.380(8) .
C30 H30 0.9300 .
C31 C32 1.373(6) .
C31 H31 0.9300 .
C32 C33 1.482(6) .
C33 C34 1.394(6) .
C34 C35 1.364(7) .
C34 H34 0.9300 .
C35 C36 1.389(8) .
C35 H35 0.9300 .
C36 C37 1.377(6) .
C36 H36 0.9300 .
C37 H37 0.9300 .
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
Co1 O2 C1 O1 -0.4(5) 3_565
Co1 O2 C1 C2 179.2(2) 3_565
Co1 O1 C1 O2 -89.9(4) .
Co1 O1 C1 C2 90.5(3) .
O2 C1 C2 C3 63.6(4) .
O1 C1 C2 C3 -116.8(3) .
O2 C1 C2 C8 -117.8(3) .
O1 C1 C2 C8 61.8(4) .
C8 C2 C3 C4 -2.7(5) .
C1 C2 C3 C4 175.8(3) .
C2 C3 C4 C6 3.5(5) .
C2 C3 C4 C5 -172.7(3) .
C6 C4 C5 O3 -178.1(4) .
C3 C4 C5 O3 -2.0(7) .
C6 C4 C5 O4 1.6(5) .
C3 C4 C5 O4 177.7(4) .
C3 C4 C6 C7 -1.2(5) .
C5 C4 C6 C7 175.0(3) .
C4 C6 C7 C8 -1.8(5) .
C4 C6 C7 C9 177.6(3) .
C6 C7 C8 C2 2.5(5) .
C9 C7 C8 C2 -176.8(3) .
C6 C7 C8 C10 -175.9(3) .
C9 C7 C8 C10 4.7(5) .
C3 C2 C8 C7 -0.3(5) .
C1 C2 C8 C7 -178.8(3) .
C3 C2 C8 C10 178.2(3) .
C1 C2 C8 C10 -0.4(5) .
C6 C7 C9 O5 -142.9(4) .
C8 C7 C9 O5 36.5(6) .
C6 C7 C9 O6 37.4(5) .
C8 C7 C9 O6 -143.2(4) .
C7 C8 C10 C11 -116.6(4) .
C2 C8 C10 C11 65.0(4) .
C7 C8 C10 C15 61.7(4) .
C2 C8 C10 C15 -116.7(3) .
C15 C10 C11 C12 0.5(5) .
C8 C10 C11 C12 178.9(3) .
C10 C11 C12 C13 0.2(5) .
C10 C11 C12 C16 -175.7(4) .
C11 C12 C13 C14 -0.7(6) .
C16 C12 C13 C14 175.4(4) .
C12 C13 C14 C15 0.4(5) .
C12 C13 C14 C17 -178.5(3) .
C13 C14 C15 C10 0.3(5) .
C17 C14 C15 C10 179.2(3) .
C11 C10 C15 C14 -0.8(5) .
C8 C10 C15 C14 -179.2(3) .
C13 C12 C16 O8 0.3(7) .
C11 C12 C16 O8 176.3(5) .
C13 C12 C16 O7 179.8(4) .
C11 C12 C16 O7 -4.2(7) .
C15 C14 C17 O10 175.7(3) .
C13 C14 C17 O10 -5.4(5) .
C15 C14 C17 O9 -2.2(5) .
C13 C14 C17 O9 176.7(3) .
C22 N1 C18 C19 0.0(5) .
Co1 N1 C18 C19 -177.6(3) .
N1 C18 C19 C20 0.4(6) .
C18 C19 C20 C21 0.3(7) .
C19 C20 C21 C22 -1.3(7) .
C18 N1 C22 C21 -1.0(5) .
Co1 N1 C22 C21 176.9(3) .
C18 N1 C22 C23 178.9(3) .
Co1 N1 C22 C23 -3.2(4) .
C20 C21 C22 N1 1.7(6) .
C20 C21 C22 C23 -178.3(4) .
C27 N2 C23 C24 -1.3(5) .
Co1 N2 C23 C24 -171.5(3) .
C27 N2 C23 C22 178.2(3) .
Co1 N2 C23 C22 8.0(4) .
N1 C22 C23 N2 -3.2(4) .
C21 C22 C23 N2 176.8(3) .
N1 C22 C23 C24 176.2(3) .
C21 C22 C23 C24 -3.8(6) .
N2 C23 C24 C25 1.7(6) .
C22 C23 C24 C25 -177.7(4) .
C23 C24 C25 C26 -1.1(7) .
C24 C25 C26 C27 0.1(7) .
C23 N2 C27 C26 0.3(6) .
Co1 N2 C27 C26 169.4(3) .
C25 C26 C27 N2 0.3(7) .
C32 N3 C28 C29 -0.4(6) .
Co1 N3 C28 C29 -178.6(3) .
N3 C28 C29 C30 1.2(8) .
C28 C29 C30 C31 -0.5(9) .
C29 C30 C31 C32 -0.9(9) .
C28 N3 C32 C31 -1.1(6) .
Co1 N3 C32 C31 177.3(3) .
C28 N3 C32 C33 -179.0(3) .
Co1 N3 C32 C33 -0.6(4) .
C30 C31 C32 N3 1.8(7) .
C30 C31 C32 C33 179.5(5) .
C37 N4 C33 C34 -0.5(6) .
Co1 N4 C33 C34 178.0(3) .
C37 N4 C33 C32 -179.8(4) .
Co1 N4 C33 C32 -1.4(4) .
N3 C32 C33 N4 1.3(5) .
C31 C32 C33 N4 -176.5(4) .
N3 C32 C33 C34 -178.0(4) .
C31 C32 C33 C34 4.2(6) .
N4 C33 C34 C35 0.2(7) .
C32 C33 C34 C35 179.5(4) .
C33 C34 C35 C36 -0.4(8) .
C34 C35 C36 C37 0.8(8) .
C33 N4 C37 C36 1.0(7) .
Co1 N4 C37 C36 -177.3(4) .
C35 C36 C37 N4 -1.2(8) .
