#------------------------------------------------------------------------------
#$Date: 2017-09-27 16:12:17 +0300 (Wed, 27 Sep 2017) $
#$Revision: 201370 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/02/33/7023373.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_7023373
loop_
_publ_author_name
'Song, Xue-Zhi'
'Song, Shu-Yan'
'Zhu, Min'
'Hao, Zhao-Min'
'Meng, Xing'
'Zhao, Shu-Na'
'Zhang, Hong-Jie'
_publ_section_title
;
 Employing tripodal carboxylate ligand to construct Co(II) coordination
 networks modulated by N-donor ligands: syntheses, structures and magnetic
 properties.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13231
_journal_page_last               13240
_journal_paper_doi               10.1039/c3dt51241j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C110 H82 Co5 N10 O34'
_chemical_formula_weight         2382.51
_chemical_name_systematic        ?
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                90.00
_cell_angle_beta                 108.2300(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   46.6723(14)
_cell_length_b                   11.4002(3)
_cell_length_c                   20.0539(6)
_cell_measurement_temperature    185(2)
_cell_volume                     10134.6(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      185(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II 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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27570
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         0.92
_exptl_absorpt_coefficient_mu    0.895
_exptl_absorpt_correction_T_max  0.8628
_exptl_absorpt_correction_T_min  0.8275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick, 1996'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4876
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.003
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     722
_refine_ls_number_reflns         10030
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0560P)²+8.6768P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                7878
_reflns_number_total             10030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51241j.txt
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_absorpt_correction_type' value 'multi-scans' was replaced
with the value 'multi-scan' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7023373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
C8 C 0.21491(6) 0.4984(2) 0.58057(13) 0.0149(5) Uani 1 1 d .
C10 C 0.34104(6) 0.7346(2) 0.53383(13) 0.0163(5) Uani 1 1 d .
H10 H 0.3370 0.8164 0.5327 0.020 Uiso 1 1 calc R
C11 C 0.37028(6) 0.6931(2) 0.55377(13) 0.0174(5) Uani 1 1 d .
H11 H 0.3866 0.7471 0.5664 0.021 Uiso 1 1 calc R
C12 C 0.37630(6) 0.5729(2) 0.55567(13) 0.0181(6) Uani 1 1 d .
C13 C 0.35232(6) 0.4943(2) 0.53695(14) 0.0194(6) Uani 1 1 d .
H13 H 0.3563 0.4124 0.5385 0.023 Uiso 1 1 calc R
C14 C 0.32275(6) 0.5336(2) 0.51611(13) 0.0179(6) Uani 1 1 d .
H14 H 0.3064 0.4797 0.5026 0.021 Uiso 1 1 calc R
C15 C 0.40746(6) 0.5265(3) 0.57849(15) 0.0248(6) Uani 1 1 d .
C16 C 0.10293(6) 0.5061(2) 0.37684(13) 0.0137(5) Uani 1 1 d .
C17 C 0.08958(6) 0.5231(2) 0.43527(13) 0.0136(5) Uani 1 1 d .
C18 C 0.06070(6) 0.5696(2) 0.42119(13) 0.0168(5) Uani 1 1 d .
H18 H 0.0489 0.5868 0.3743 0.020 Uiso 1 1 calc R
C19 C 0.04947(6) 0.5903(2) 0.47610(13) 0.0190(6) Uani 1 1 d .
C20 C 0.06580(6) 0.5614(2) 0.54474(13) 0.0186(6) Uani 1 1 d .
H20 H 0.0572 0.5717 0.5815 0.022 Uiso 1 1 calc R
C21 C 0.09494(6) 0.5170(2) 0.55894(13) 0.0146(5) Uani 1 1 d .
C22 C 0.10697(6) 0.4992(2) 0.50448(13) 0.0139(5) Uani 1 1 d .
H22 H 0.1270 0.4709 0.5143 0.017 Uiso 1 1 calc R
C23 C 0.11406(6) 0.4944(2) 0.63377(12) 0.0120(5) Uani 1 1 d .
C24 C 0.01798(6) 0.7362(3) 0.50047(13) 0.0223(6) Uani 1 1 d .
C25 C -0.00986(6) 0.7532(3) 0.50979(14) 0.0252(6) Uani 1 1 d .
H25 H -0.0262 0.7022 0.4881 0.030 Uiso 1 1 calc R
C26 C -0.01355(6) 0.8459(2) 0.55126(14) 0.0230(6) Uani 1 1 d .
H26 H -0.0327 0.8592 0.5574 0.028 Uiso 1 1 calc R
C27 C 0.01061(6) 0.9197(2) 0.58391(13) 0.0188(6) Uani 1 1 d .
C28 C 0.03794(6) 0.9038(2) 0.57103(14) 0.0219(6) Uani 1 1 d .
H28 H 0.0542 0.9556 0.5917 0.026 Uiso 1 1 calc R
C29 C 0.04161(6) 0.8136(2) 0.52859(14) 0.0227(6) Uani 1 1 d .
H29 H 0.0601 0.8045 0.5187 0.027 Uiso 1 1 calc R
C30 C 0.00826(6) 1.0026(2) 0.63893(14) 0.0184(6) Uani 1 1 d .
C38 C 0.10327(6) 1.2484(2) 0.24603(14) 0.0190(6) Uani 1 1 d .
H38 H 0.0855 1.2908 0.2221 0.023 Uiso 1 1 calc R
C40 C 0.15284(6) 1.2472(2) 0.31373(13) 0.0169(5) Uani 1 1 d .
H40 H 0.1707 1.2885 0.3386 0.020 Uiso 1 1 calc R
C41 C 0.16201(6) 0.7789(2) 0.13436(13) 0.0181(6) Uani 1 1 d .
H41 H 0.1446 0.7374 0.1074 0.022 Uiso 1 1 calc R
C42 C 0.16093(6) 0.9000(2) 0.13504(13) 0.0188(6) Uani 1 1 d .
H42 H 0.1429 0.9396 0.1095 0.023 Uiso 1 1 calc R
C43 C 0.18622(6) 0.9644(2) 0.17319(13) 0.0137(5) Uani 1 1 d .
C44 C 0.21175(6) 0.8992(2) 0.20912(14) 0.0210(6) Uani 1 1 d .
H44 H 0.2298 0.9379 0.2355 0.025 Uiso 1 1 calc R
C45 C 0.21067(6) 0.7782(2) 0.20617(14) 0.0202(6) Uani 1 1 d .
H45 H 0.2283 0.7359 0.2315 0.024 Uiso 1 1 calc R
C46 C 0.18593(6) 1.0940(2) 0.17553(12) 0.0138(5) Uani 1 1 d .
C47 C 0.16312(6) 1.1595(2) 0.12900(13) 0.0178(6) Uani 1 1 d .
H47 H 0.1469 1.1208 0.0955 0.021 Uiso 1 1 calc R
C48 C 0.16405(6) 1.2804(2) 0.13147(13) 0.0174(6) Uani 1 1 d .
H48 H 0.1484 1.3227 0.0985 0.021 Uiso 1 1 calc R
C49 C 0.20846(6) 1.1573(2) 0.22420(13) 0.0167(5) Uani 1 1 d .
H49 H 0.2245 1.1170 0.2575 0.020 Uiso 1 1 calc R
C50 C 0.20763(6) 1.2789(2) 0.22421(13) 0.0169(5) Uani 1 1 d .
H50 H 0.2231 1.3199 0.2585 0.020 Uiso 1 1 calc R
C51 C -0.02569(6) 0.7986(2) 0.72435(14) 0.0204(6) Uani 1 1 d .
H51 H -0.0440 0.8405 0.7050 0.024 Uiso 1 1 calc R
C52 C -0.02677(6) 0.6767(2) 0.72477(14) 0.0208(6) Uani 1 1 d .
H52 H -0.0455 0.6369 0.7080 0.025 Uiso 1 1 calc R
C53 C 0.0000 0.6138(3) 0.7500 0.0166(8) Uani 1 2 d S
C54 C 0.0000 0.4835(3) 0.7500 0.0174(8) Uani 1 2 d S
C55 C -0.01826(6) 0.4206(2) 0.78028(13) 0.0196(6) Uani 1 1 d .
H55 H -0.0313 0.4604 0.8007 0.023 Uiso 1 1 calc R
C56 C -0.01721(6) 0.2989(2) 0.78032(14) 0.0203(6) Uani 1 1 d .
H56 H -0.0292 0.2570 0.8028 0.024 Uiso 1 1 calc R
N2 N 0.12825(5) 1.30946(18) 0.28009(10) 0.0139(4) Uani 1 1 d .
N3 N 0.18642(5) 0.71694(18) 0.16988(10) 0.0138(4) Uani 1 1 d .
N4 N 0.18592(5) 1.34145(17) 0.17793(10) 0.0128(4) Uani 1 1 d .
N5 N 0.0000 0.8601(3) 0.7500 0.0175(7) Uani 1 2 d S
N6 N 0.0000 0.2376(3) 0.7500 0.0165(6) Uani 1 2 d S
O1W O 0.15880(5) 0.30052(18) 0.48050(11) 0.0349(5) Uani 1 1 d .
O3 O 0.18659(4) 0.48509(15) 0.56718(9) 0.0172(4) Uani 1 1 d .
O2W O 0.25925(6) 0.2628(2) 0.61027(11) 0.0522(7) Uani 1 1 d .
O4 O 0.23242(4) 0.48791(16) 0.64223(9) 0.0205(4) Uani 1 1 d .
O3W O 0.28629(6) 0.2968(2) 0.50826(14) 0.0506(7) Uani 1 1 d .
O7 O 0.42800(4) 0.61064(18) 0.58849(11) 0.0309(5) Uani 1 1 d D
O8 O 0.08655(4) 0.51206(15) 0.31398(9) 0.0155(4) Uani 1 1 d .
O9 O 0.13108(4) 0.48834(15) 0.39224(9) 0.0158(4) Uani 1 1 d .
O10 O 0.10180(4) 0.50712(14) 0.68102(9) 0.0151(4) Uani 1 1 d .
O11 O 0.14112(4) 0.46497(15) 0.64497(9) 0.0149(4) Uani 1 1 d .
O12 O 0.02075(4) 0.63928(18) 0.46056(9) 0.0264(5) Uani 1 1 d .
O13 O -0.01757(4) 1.03194(16) 0.64263(9) 0.0197(4) Uani 1 1 d .
O14 O 0.03149(4) 1.03273(16) 0.68770(10) 0.0212(4) Uani 1 1 d .
Co3 Co 0.0000 1.05331(4) 0.7500 0.01594(12) Uani 1 2 d S
H7O H 0.4462(4) 0.578(2) 0.6029(14) 0.024 Uiso 1 1 d D
C1 C 0.20139(6) 0.5219(2) 0.32211(13) 0.0124(5) Uani 1 1 d .
C2 C 0.22025(5) 0.5437(2) 0.39729(13) 0.0128(5) Uani 1 1 d .
C3 C 0.24777(6) 0.6024(2) 0.41219(13) 0.0150(5) Uani 1 1 d .
H3 H 0.2552 0.6261 0.3753 0.018 Uiso 1 1 calc R
C4 C 0.26398(5) 0.6257(2) 0.48130(13) 0.0156(5) Uani 1 1 d .
C5 C 0.25437(6) 0.5873(2) 0.53623(13) 0.0168(5) Uani 1 1 d .
H5 H 0.2665 0.5998 0.5835 0.020 Uiso 1 1 calc R
C6 C 0.22683(6) 0.5301(2) 0.52133(13) 0.0145(5) Uani 1 1 d .
C7 C 0.20949(6) 0.5102(2) 0.45196(13) 0.0140(5) Uani 1 1 d .
H7 H 0.1903 0.4738 0.4418 0.017 Uiso 1 1 calc R
C9 C 0.31756(6) 0.6532(2) 0.51538(12) 0.0152(5) Uani 1 1 d .
C31 C 0.10364(6) 0.7443(2) 0.25658(14) 0.0204(6) Uani 1 1 d .
H31 H 0.0855 0.7006 0.2397 0.025 Uiso 1 1 calc R
C32 C 0.10180(6) 0.8658(2) 0.25453(14) 0.0211(6) Uani 1 1 d .
H32 H 0.0828 0.9035 0.2371 0.025 Uiso 1 1 calc R
C33 C 0.12816(6) 0.9321(2) 0.27824(12) 0.0134(5) Uani 1 1 d .
C34 C 0.15516(6) 0.8703(2) 0.30232(13) 0.0161(5) Uani 1 1 d .
H34 H 0.1738 0.9114 0.3178 0.019 Uiso 1 1 calc R
C35 C 0.15489(6) 0.7496(2) 0.30366(13) 0.0159(5) Uani 1 1 d .
H35 H 0.1736 0.7098 0.3216 0.019 Uiso 1 1 calc R
C36 C 0.12794(6) 1.0625(2) 0.27875(12) 0.0134(5) Uani 1 1 d .
C37 C 0.10214(6) 1.1275(2) 0.24406(14) 0.0185(6) Uani 1 1 d .
H37 H 0.0839 1.0886 0.2193 0.022 Uiso 1 1 calc R
C39 C 0.15369(6) 1.1266(2) 0.31426(13) 0.0167(5) Uani 1 1 d .
H39 H 0.1718 1.0869 0.3388 0.020 Uiso 1 1 calc R
N1 N 0.12970(5) 0.68503(18) 0.28110(10) 0.0136(4) Uani 1 1 d .
O1 O 0.21358(4) 0.54138(15) 0.27492(8) 0.0153(4) Uani 1 1 d .
O2 O 0.17473(4) 0.48810(14) 0.30974(9) 0.0141(4) Uani 1 1 d .
O5 O 0.28890(4) 0.70080(15) 0.49475(9) 0.0187(4) Uani 1 1 d .
O6 O 0.41387(5) 0.4242(2) 0.58796(15) 0.0502(7) Uani 1 1 d .
Co1 Co 0.186818(7) 0.52810(3) 0.172500(16) 0.01099(9) Uani 1 1 d .
Co2 Co 0.128808(7) 0.49747(3) 0.283776(16) 0.01045(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'
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
O4 C8 O3 120.6(2) . .
O4 C8 C6 120.8(2) . .
O3 C8 C6 118.5(2) . .
C11 C10 C9 118.2(2) . .
C11 C10 H10 120.9 . .
C9 C10 H10 120.9 . .
C10 C11 C12 121.1(2) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C13 C12 C11 119.1(2) . .
C13 C12 C15 118.9(2) . .
C11 C12 C15 121.9(2) . .
C14 C13 C12 121.0(2) . .
C14 C13 H13 119.5 . .
C12 C13 H13 119.5 . .
C13 C14 C9 118.5(2) . .
C13 C14 H14 120.8 . .
C9 C14 H14 120.8 . .
O6 C15 O7 123.0(3) . .
O6 C15 C12 124.5(3) . .
O7 C15 C12 112.5(2) . .
O8 C16 O9 120.8(2) . .
O8 C16 C17 120.4(2) . .
O9 C16 C17 118.8(2) . .
C18 C17 C22 120.0(2) . .
C18 C17 C16 120.2(2) . .
C22 C17 C16 119.7(2) . .
C19 C18 C17 119.2(2) . .
C19 C18 H18 120.4 . .
C17 C18 H18 120.4 . .
C18 C19 C20 121.5(2) . .
C18 C19 O12 118.0(2) . .
C20 C19 O12 120.5(2) . .
C19 C20 C21 119.1(2) . .
C19 C20 H20 120.4 . .
C21 C20 H20 120.4 . .
C22 C21 C20 120.0(2) . .
C22 C21 C23 119.9(2) . .
C20 C21 C23 120.0(2) . .
C21 C22 C17 120.0(2) . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
O11 C23 O10 124.3(2) . .
O11 C23 C21 118.1(2) . .
O10 C23 C21 117.5(2) . .
C25 C24 C29 121.1(3) . .
C25 C24 O12 116.7(3) . .
C29 C24 O12 122.2(2) . .
C24 C25 C26 119.1(3) . .
C24 C25 H25 120.5 . .
C26 C25 H25 120.5 . .
C25 C26 C27 120.4(2) . .
C25 C26 H26 119.8 . .
C27 C26 H26 119.8 . .
C28 C27 C26 119.2(2) . .
C28 C27 C30 120.5(2) . .
C26 C27 C30 119.8(2) . .
C29 C28 C27 120.7(3) . .
C29 C28 H28 119.7 . .
C27 C28 H28 119.7 . .
C28 C29 C24 119.2(2) . .
C28 C29 H29 120.4 . .
C24 C29 H29 120.4 . .
O14 C30 O13 118.9(2) . .
O14 C30 C27 120.4(2) . .
O13 C30 C27 120.1(2) . .
O14 C30 Co3 64.59(14) . .
O13 C30 Co3 57.57(13) . .
C27 C30 Co3 153.90(18) . .
N2 C38 C37 123.4(2) . .
N2 C38 H38 118.3 . .
C37 C38 H38 118.3 . .
N2 C40 C39 123.5(2) . .
N2 C40 H40 118.2 . .
C39 C40 H40 118.2 . .
N3 C41 C42 123.3(2) . .
N3 C41 H41 118.4 . .
C42 C41 H41 118.4 . .
C41 C42 C43 120.2(2) . .
C41 C42 H42 119.9 . .
C43 C42 H42 119.9 . .
C42 C43 C44 116.2(2) . .
C42 C43 C46 121.9(2) . .
C44 C43 C46 122.0(2) . .
C45 C44 C43 119.7(2) . .
C45 C44 H44 120.2 . .
C43 C44 H44 120.2 . .
N3 C45 C44 124.0(2) . .
N3 C45 H45 118.0 . .
C44 C45 H45 118.0 . .
C49 C46 C47 116.3(2) . .
C49 C46 C43 121.9(2) . .
C47 C46 C43 121.8(2) . .
C48 C47 C46 120.2(2) . .
C48 C47 H47 119.9 . .
C46 C47 H47 119.9 . .
N4 C48 C47 123.5(2) . .
N4 C48 H48 118.3 . .
C47 C48 H48 118.3 . .
C50 C49 C46 120.2(2) . .
C50 C49 H49 119.9 . .
C46 C49 H49 119.9 . .
N4 C50 C49 123.0(2) . .
N4 C50 H50 118.5 . .
C49 C50 H50 118.5 . .
N5 C51 C52 123.3(3) . .
N5 C51 H51 118.4 . .
C52 C51 H51 118.4 . .
C51 C52 C53 119.2(3) . .
C51 C52 H52 120.4 . .
C53 C52 H52 120.4 . .
C52 C53 C52 118.0(3) 2_556 .
C52 C53 C54 121.02(16) 2_556 .
C52 C53 C54 121.02(16) . .
C55 C54 C55 117.9(3) 2_556 .
C55 C54 C53 121.05(17) 2_556 .
C55 C54 C53 121.05(17) . .
C56 C55 C54 119.3(3) . .
C56 C55 H55 120.4 . .
C54 C55 H55 120.4 . .
N6 C56 C55 123.0(3) . .
N6 C56 H56 118.5 . .
C55 C56 H56 118.5 . .
C40 N2 C38 116.8(2) . .
C40 N2 Co2 120.90(16) . 1_565
C38 N2 Co2 122.24(17) . 1_565
C45 N3 C41 116.7(2) . .
C45 N3 Co1 120.66(17) . .
C41 N3 Co1 122.62(16) . .
C48 N4 C50 116.7(2) . .
C48 N4 Co1 120.34(16) . 1_565
C50 N4 Co1 122.81(16) . 1_565
C51 N5 C51 117.1(3) 2_556 .
C51 N5 Co3 121.43(16) 2_556 .
C51 N5 Co3 121.43(16) . .
C56 N6 C56 117.4(3) 2_556 .
C56 N6 Co3 121.32(16) 2_556 1_545
C56 N6 Co3 121.32(16) . 1_545
C8 O3 Co1 96.74(15) . 6_566
C8 O4 Co1 84.30(16) . 6_566
C15 O7 H7O 108.6(19) . .
C16 O8 Co2 87.50(15) . .
C16 O9 Co2 91.51(14) . .
C23 O10 Co2 118.14(16) . 6_566
C23 O11 Co1 161.63(16) . 6_566
C24 O12 C19 116.4(2) . .
C30 O13 Co3 91.00(15) . .
C30 O14 Co3 84.57(15) . .
O13 Co3 O13 166.45(10) . 2_556
O13 Co3 N6 96.78(5) . 1_565
O13 Co3 N6 96.78(5) 2_556 1_565
O13 Co3 N5 83.22(5) . .
O13 Co3 N5 83.22(5) 2_556 .
N6 Co3 N5 180.000(2) 1_565 .
O13 Co3 O14 61.14(7) . .
O13 Co3 O14 117.24(7) 2_556 .
N6 Co3 O14 96.07(5) 1_565 .
N5 Co3 O14 83.93(5) . .
O13 Co3 O14 117.24(7) . 2_556
O13 Co3 O14 61.14(7) 2_556 2_556
N6 Co3 O14 96.07(5) 1_565 2_556
N5 Co3 O14 83.93(5) . 2_556
O14 Co3 O14 167.87(10) . 2_556
O13 Co3 C30 31.43(8) . .
O13 Co3 C30 142.89(8) 2_556 .
N6 Co3 C30 103.68(6) 1_565 .
N5 Co3 C30 76.32(6) . .
O14 Co3 C30 30.84(8) . .
O14 Co3 C30 143.96(8) 2_556 .
O13 Co3 C30 142.89(8) . 2_556
O13 Co3 C30 31.43(8) 2_556 2_556
N6 Co3 C30 103.68(6) 1_565 2_556
N5 Co3 C30 76.32(6) . 2_556
O14 Co3 C30 143.96(8) . 2_556
O14 Co3 C30 30.84(8) 2_556 2_556
C30 Co3 C30 152.64(12) . 2_556
O2 C1 O1 123.8(2) . .
O2 C1 C2 118.8(2) . .
O1 C1 C2 117.4(2) . .
C7 C2 C3 119.8(2) . .
C7 C2 C1 120.0(2) . .
C3 C2 C1 120.2(2) . .
C4 C3 C2 119.1(2) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C3 C4 C5 121.7(2) . .
C3 C4 O5 118.2(2) . .
C5 C4 O5 119.8(2) . .
C4 C5 C6 119.1(2) . .
C4 C5 H5 120.5 . .
C6 C5 H5 120.5 . .
C5 C6 C7 120.1(2) . .
C5 C6 C8 119.3(2) . .
C7 C6 C8 120.5(2) . .
C6 C7 C2 120.1(2) . .
C6 C7 H7 119.9 . .
C2 C7 H7 119.9 . .
O5 C9 C14 122.7(2) . .
O5 C9 C10 115.2(2) . .
C14 C9 C10 122.1(2) . .
N1 C31 C32 123.6(2) . .
N1 C31 H31 118.2 . .
C32 C31 H31 118.2 . .
C31 C32 C33 119.4(2) . .
C31 C32 H32 120.3 . .
C33 C32 H32 120.3 . .
C34 C33 C32 116.8(2) . .
C34 C33 C36 120.7(2) . .
C32 C33 C36 122.5(2) . .
C35 C34 C33 120.0(2) . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
N1 C35 C34 123.7(2) . .
N1 C35 H35 118.1 . .
C34 C35 H35 118.1 . .
C39 C36 C37 116.4(2) . .
C39 C36 C33 121.4(2) . .
C37 C36 C33 122.2(2) . .
C38 C37 C36 119.7(2) . .
C38 C37 H37 120.1 . .
C36 C37 H37 120.1 . .
C40 C39 C36 120.1(2) . .
C40 C39 H39 120.0 . .
C36 C39 H39 120.0 . .
C35 N1 C31 116.5(2) . .
C35 N1 Co2 124.21(17) . .
C31 N1 Co2 119.31(17) . .
C1 O1 Co1 117.43(16) . .
C1 O2 Co2 158.88(16) . .
C9 O5 C4 119.05(19) . .
O11 Co1 O1 121.93(7) 6_565 .
O11 Co1 O3 93.13(7) 6_565 6_565
O1 Co1 O3 144.87(7) . 6_565
O11 Co1 N4 90.97(7) 6_565 1_545
O1 Co1 N4 92.18(7) . 1_545
O3 Co1 N4 89.20(7) 6_565 1_545
O11 Co1 N3 87.37(7) 6_565 .
O1 Co1 N3 87.05(7) . .
O3 Co1 N3 92.84(7) 6_565 .
N4 Co1 N3 177.44(8) 1_545 .
O11 Co1 O4 151.03(6) 6_565 6_565
O1 Co1 O4 87.04(6) . 6_565
O3 Co1 O4 57.90(6) 6_565 6_565
N4 Co1 O4 88.29(7) 1_545 6_565
N3 Co1 O4 94.10(7) . 6_565
O2 Co2 O10 121.34(7) . 6_565
O2 Co2 N1 91.81(7) . .
O10 Co2 N1 90.63(7) 6_565 .
O2 Co2 N2 87.54(7) . 1_545
O10 Co2 N2 86.72(7) 6_565 1_545
N1 Co2 N2 176.43(8) . 1_545
O2 Co2 O9 91.37(7) . .
O10 Co2 O9 146.73(7) 6_565 .
N1 Co2 O9 94.51(7) . .
N2 Co2 O9 89.01(7) 1_545 .
O2 Co2 O8 151.11(7) . .
O10 Co2 O8 87.55(7) 6_565 .
N1 Co2 O8 87.61(7) . .
N2 Co2 O8 94.66(7) 1_545 .
O9 Co2 O8 59.92(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C8 O4 1.257(3) .
C8 O3 1.273(3) .
C8 C6 1.505(4) .
C10 C11 1.380(3) .
C10 C9 1.395(3) .
C10 H10 0.9500 .
C11 C12 1.397(4) .
C11 H11 0.9500 .
C12 C13 1.391(4) .
C12 C15 1.479(4) .
C13 C14 1.385(4) .
C13 H13 0.9500 .
C14 C9 1.384(4) .
C14 H14 0.9500 .
C15 O6 1.204(4) .
C15 O7 1.326(3) .
C16 O8 1.255(3) .
C16 O9 1.268(3) .
C16 C17 1.502(3) .
C17 C18 1.393(3) .
C17 C22 1.398(3) .
C18 C19 1.380(3) .
C18 H18 0.9500 .
C19 C20 1.389(3) .
C19 O12 1.394(3) .
C20 C21 1.395(4) .
C20 H20 0.9500 .
C21 C22 1.390(4) .
C21 C23 1.509(3) .
C22 H22 0.9500 .
C23 O11 1.257(3) .
C23 O10 1.259(3) .
C24 C25 1.383(4) .
C24 C29 1.387(4) .
C24 O12 1.394(3) .
C25 C26 1.388(4) .
C25 H25 0.9500 .
C26 C27 1.395(4) .
C26 H26 0.9500 .
C27 C28 1.390(4) .
C27 C30 1.482(4) .
C28 C29 1.380(4) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 O14 1.260(3) .
C30 O13 1.275(3) .
C30 Co3 2.446(3) .
C38 N2 1.346(3) .
C38 C37 1.379(4) .
C38 H38 0.9500 .
C40 N2 1.339(3) .
C40 C39 1.375(3) .
C40 H40 0.9500 .
C41 N3 1.340(3) .
C41 C42 1.382(4) .
C41 H41 0.9500 .
C42 C43 1.397(3) .
C42 H42 0.9500 .
C43 C44 1.398(3) .
C43 C46 1.479(3) .
C44 C45 1.381(4) .
C44 H44 0.9500 .
C45 N3 1.335(3) .
C45 H45 0.9500 .
C46 C49 1.392(3) .
C46 C47 1.393(3) .
C47 C48 1.380(3) .
C47 H47 0.9500 .
C48 N4 1.341(3) .
C48 H48 0.9500 .
C49 C50 1.387(3) .
C49 H49 0.9500 .
C50 N4 1.345(3) .
C50 H50 0.9500 .
C51 N5 1.345(3) .
C51 C52 1.391(4) .
C51 H51 0.9500 .
C52 C53 1.391(3) .
C52 H52 0.9500 .
C53 C52 1.391(3) 2_556
C53 C54 1.486(5) .
C54 C55 1.390(3) 2_556
C54 C55 1.390(3) .
C55 C56 1.388(4) .
C55 H55 0.9500 .
C56 N6 1.345(3) .
C56 H56 0.9500 .
N2 Co2 2.145(2) 1_565
N3 Co1 2.153(2) .
N4 Co1 2.132(2) 1_565
N5 C51 1.345(3) 2_556
N5 Co3 2.202(3) .
N6 C56 1.345(3) 2_556
N6 Co3 2.101(3) 1_545
O3 Co1 2.1142(17) 6_566
O4 Co1 2.3960(19) 6_566
O7 H7O 0.890(17) .
O8 Co2 2.2432(18) .
O9 Co2 2.1469(17) .
O10 Co2 2.0525(17) 6_566
O11 Co1 2.0305(17) 6_566
O13 Co3 2.0648(18) .
O14 Co3 2.2191(18) .
Co3 O13 2.0648(18) 2_556
Co3 N6 2.101(3) 1_565
Co3 O14 2.2191(18) 2_556
Co3 C30 2.446(3) 2_556
C1 O2 1.251(3) .
C1 O1 1.267(3) .
C1 C2 1.510(3) .
C2 C7 1.394(3) .
C2 C3 1.395(3) .
C3 C4 1.381(3) .
C3 H3 0.9500 .
C4 C5 1.384(4) .
C4 O5 1.401(3) .
C5 C6 1.388(3) .
C5 H5 0.9500 .
C6 C7 1.392(3) .
C7 H7 0.9500 .
C9 O5 1.382(3) .
C31 N1 1.343(3) .
C31 C32 1.388(4) .
C31 H31 0.9500 .
C32 C33 1.395(3) .
C32 H32 0.9500 .
C33 C34 1.392(3) .
C33 C36 1.487(3) .
C34 C35 1.376(3) .
C34 H34 0.9500 .
C35 N1 1.340(3) .
C35 H35 0.9500 .
C36 C39 1.396(3) .
C36 C37 1.400(3) .
C37 H37 0.9500 .
C39 H39 0.9500 .
N1 Co2 2.140(2) .
O1 Co1 2.0485(17) .
O2 Co2 2.0441(17) .
Co1 O11 2.0305(17) 6_565
Co1 O3 2.1142(17) 6_565
Co1 N4 2.132(2) 1_545
Co1 O4 2.396(2) 6_565
Co2 O10 2.0525(17) 6_565
Co2 N2 2.145(2) 1_545
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H7O O13 0.890(17) 1.710(18) 2.591(3) 170(3) 3_545
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
_geom_torsion_site_symmetry_4
C9 C10 C11 C12 -0.1(4) . .
C10 C11 C12 C13 0.1(4) . .
C10 C11 C12 C15 -178.5(2) . .
C11 C12 C13 C14 0.5(4) . .
C15 C12 C13 C14 179.2(2) . .
C12 C13 C14 C9 -1.0(4) . .
C13 C12 C15 O6 -6.6(4) . .
C11 C12 C15 O6 172.0(3) . .
C13 C12 C15 O7 174.2(2) . .
C11 C12 C15 O7 -7.2(4) . .
O8 C16 C17 C18 -13.6(4) . .
O9 C16 C17 C18 164.8(2) . .
O8 C16 C17 C22 170.6(2) . .
O9 C16 C17 C22 -11.0(3) . .
C22 C17 C18 C19 -0.7(4) . .
C16 C17 C18 C19 -176.6(2) . .
C17 C18 C19 C20 -2.7(4) . .
C17 C18 C19 O12 178.6(2) . .
C18 C19 C20 C21 4.0(4) . .
O12 C19 C20 C21 -177.4(2) . .
C19 C20 C21 C22 -1.8(4) . .
C19 C20 C21 C23 174.9(2) . .
C20 C21 C22 C17 -1.6(4) . .
C23 C21 C22 C17 -178.3(2) . .
C18 C17 C22 C21 2.9(4) . .
C16 C17 C22 C21 178.7(2) . .
C22 C21 C23 O11 3.2(3) . .
C20 C21 C23 O11 -173.4(2) . .
C22 C21 C23 O10 -177.1(2) . .
C20 C21 C23 O10 6.2(3) . .
C29 C24 C25 C26 -3.6(4) . .
O12 C24 C25 C26 177.6(2) . .
C24 C25 C26 C27 -0.9(4) . .
C25 C26 C27 C28 3.9(4) . .
C25 C26 C27 C30 -167.7(2) . .
C26 C27 C28 C29 -2.4(4) . .
C30 C27 C28 C29 169.1(2) . .
C27 C28 C29 C24 -2.0(4) . .
C25 C24 C29 C28 5.1(4) . .
O12 C24 C29 C28 -176.2(2) . .
C28 C27 C30 O14 -21.1(4) . .
C26 C27 C30 O14 150.4(3) . .
C28 C27 C30 O13 168.1(2) . .
C26 C27 C30 O13 -20.4(4) . .
C28 C27 C30 Co3 -114.9(4) . .
C26 C27 C30 Co3 56.6(5) . .
N3 C41 C42 C43 1.0(4) . .
C41 C42 C43 C44 0.1(4) . .
C41 C42 C43 C46 -179.7(2) . .
C42 C43 C44 C45 -0.9(4) . .
C46 C43 C44 C45 178.9(2) . .
C43 C44 C45 N3 0.7(4) . .
C42 C43 C46 C49 166.4(2) . .
C44 C43 C46 C49 -13.4(4) . .
C42 C43 C46 C47 -13.7(4) . .
C44 C43 C46 C47 166.5(3) . .
C49 C46 C47 C48 1.7(4) . .
C43 C46 C47 C48 -178.2(2) . .
C46 C47 C48 N4 -1.1(4) . .
C47 C46 C49 C50 -0.7(4) . .
C43 C46 C49 C50 179.2(2) . .
C46 C49 C50 N4 -1.0(4) . .
N5 C51 C52 C53 -2.9(4) . .
C51 C52 C53 C52 1.35(18) . 2_556
C51 C52 C53 C54 -178.65(18) . .
C52 C53 C54 C55 -52.73(18) 2_556 2_556
C52 C53 C54 C55 127.27(18) . 2_556
C52 C53 C54 C55 127.27(18) 2_556 .
C52 C53 C54 C55 -52.73(18) . .
C55 C54 C55 C56 1.16(17) 2_556 .
C53 C54 C55 C56 -178.85(17) . .
C54 C55 C56 N6 -2.5(4) . .
C39 C40 N2 C38 0.7(4) . .
C39 C40 N2 Co2 178.86(19) . 1_565
C37 C38 N2 C40 -0.5(4) . .
C37 C38 N2 Co2 -178.6(2) . 1_565
C44 C45 N3 C41 0.4(4) . .
C44 C45 N3 Co1 -177.5(2) . .
C42 C41 N3 C45 -1.2(4) . .
C42 C41 N3 Co1 176.6(2) . .
C47 C48 N4 C50 -0.5(4) . .
C47 C48 N4 Co1 175.7(2) . 1_565
C49 C50 N4 C48 1.6(4) . .
C49 C50 N4 Co1 -174.54(19) . 1_565
C52 C51 N5 C51 1.46(19) . 2_556
C52 C51 N5 Co3 -178.54(19) . .
C55 C56 N6 C56 1.25(18) . 2_556
C55 C56 N6 Co3 -178.75(18) . 1_545
O4 C8 O3 Co1 7.2(2) . 6_566
C6 C8 O3 Co1 -171.17(18) . 6_566
O3 C8 O4 Co1 -6.3(2) . 6_566
C6 C8 O4 Co1 172.0(2) . 6_566
O9 C16 O8 Co2 -4.7(2) . .
C17 C16 O8 Co2 173.7(2) . .
O8 C16 O9 Co2 4.9(2) . .
C17 C16 O9 Co2 -173.49(19) . .
O11 C23 O10 Co2 9.1(3) . 6_566
C21 C23 O10 Co2 -170.53(15) . 6_566
O10 C23 O11 Co1 -77.1(6) . 6_566
C21 C23 O11 Co1 102.5(5) . 6_566
C25 C24 O12 C19 -151.7(2) . .
C29 C24 O12 C19 29.6(4) . .
C18 C19 O12 C24 -130.4(3) . .
C20 C19 O12 C24 51.0(3) . .
O14 C30 O13 Co3 -21.5(2) . .
C27 C30 O13 Co3 149.5(2) . .
O13 C30 O14 Co3 20.0(2) . .
C27 C30 O14 Co3 -150.9(2) . .
C30 O13 Co3 O13 -74.80(14) . 2_556
C30 O13 Co3 N6 105.20(14) . 1_565
C30 O13 Co3 N5 -74.80(14) . .
C30 O13 Co3 O14 11.99(14) . .
C30 O13 Co3 O14 -154.37(14) . 2_556
C30 O13 Co3 C30 -131.3(2) . 2_556
C51 N5 Co3 O13 119.30(14) 2_556 .
C51 N5 Co3 O13 -60.70(14) . .
C51 N5 Co3 O13 -60.70(14) 2_556 2_556
C51 N5 Co3 O13 119.30(14) . 2_556
C51 N5 Co3 N6 25(33) 2_556 1_565
C51 N5 Co3 N6 -155(30) . 1_565
C51 N5 Co3 O14 57.74(14) 2_556 .
C51 N5 Co3 O14 -122.26(14) . .
C51 N5 Co3 O14 -122.26(14) 2_556 2_556
C51 N5 Co3 O14 57.74(14) . 2_556
C51 N5 Co3 C30 88.11(15) 2_556 .
C51 N5 Co3 C30 -91.89(15) . .
C51 N5 Co3 C30 -91.89(15) 2_556 2_556
C51 N5 Co3 C30 88.11(15) . 2_556
C30 O14 Co3 O13 -12.20(14) . .
C30 O14 Co3 O13 152.54(14) . 2_556
C30 O14 Co3 N6 -106.61(14) . 1_565
C30 O14 Co3 N5 73.39(14) . .
C30 O14 Co3 O14 73.39(14) . 2_556
C30 O14 Co3 C30 130.0(2) . 2_556
O14 C30 Co3 O13 159.2(2) . .
C27 C30 Co3 O13 -93.1(5) . .
O14 C30 Co3 O13 -42.8(2) . 2_556
O13 C30 Co3 O13 157.99(17) . 2_556
C27 C30 Co3 O13 64.9(5) . 2_556
O14 C30 Co3 N6 78.73(14) . 1_565
O13 C30 Co3 N6 -80.48(14) . 1_565
C27 C30 Co3 N6 -173.6(4) . 1_565
O14 C30 Co3 N5 -101.27(14) . .
O13 C30 Co3 N5 99.52(14) . .
C27 C30 Co3 N5 6.4(4) . .
O13 C30 Co3 O14 -159.2(2) . .
C27 C30 Co3 O14 107.7(5) . .
O14 C30 Co3 O14 -159.98(16) . 2_556
O13 C30 Co3 O14 40.8(2) . 2_556
C27 C30 Co3 O14 -52.3(5) . 2_556
O14 C30 Co3 C30 -101.27(14) . 2_556
O13 C30 Co3 C30 99.52(14) . 2_556
C27 C30 Co3 C30 6.4(4) . 2_556
O2 C1 C2 C7 9.2(3) . .
O1 C1 C2 C7 -172.0(2) . .
O2 C1 C2 C3 -167.6(2) . .
O1 C1 C2 C3 11.2(3) . .
C7 C2 C3 C4 0.4(4) . .
C1 C2 C3 C4 177.2(2) . .
C2 C3 C4 C5 3.2(4) . .
C2 C3 C4 O5 -169.8(2) . .
C3 C4 C5 C6 -4.0(4) . .
O5 C4 C5 C6 168.9(2) . .
C4 C5 C6 C7 1.1(4) . .
C4 C5 C6 C8 -174.2(2) . .
O4 C8 C6 C5 -22.6(4) . .
O3 C8 C6 C5 155.7(2) . .
O4 C8 C6 C7 162.0(2) . .
O3 C8 C6 C7 -19.6(3) . .
C5 C6 C7 C2 2.4(4) . .
C8 C6 C7 C2 177.7(2) . .
C3 C2 C7 C6 -3.2(4) . .
C1 C2 C7 C6 180.0(2) . .
C13 C14 C9 O5 179.3(2) . .
C13 C14 C9 C10 1.0(4) . .
C11 C10 C9 O5 -178.9(2) . .
C11 C10 C9 C14 -0.4(4) . .
N1 C31 C32 C33 0.7(4) . .
C31 C32 C33 C34 0.6(4) . .
C31 C32 C33 C36 -179.0(2) . .
C32 C33 C34 C35 -1.7(4) . .
C36 C33 C34 C35 177.8(2) . .
C33 C34 C35 N1 1.7(4) . .
C34 C33 C36 C39 -11.5(3) . .
C32 C33 C36 C39 168.0(2) . .
C34 C33 C36 C37 168.6(2) . .
C32 C33 C36 C37 -11.9(4) . .
N2 C38 C37 C36 0.0(4) . .
C39 C36 C37 C38 0.4(4) . .
C33 C36 C37 C38 -179.7(2) . .
N2 C40 C39 C36 -0.4(4) . .
C37 C36 C39 C40 -0.2(4) . .
C33 C36 C39 C40 179.9(2) . .
C34 C35 N1 C31 -0.5(4) . .
C34 C35 N1 Co2 -179.34(19) . .
C32 C31 N1 C35 -0.8(4) . .
C32 C31 N1 Co2 178.2(2) . .
O2 C1 O1 Co1 4.8(3) . .
C2 C1 O1 Co1 -173.93(15) . .
O1 C1 O2 Co2 -82.5(5) . .
C2 C1 O2 Co2 96.2(5) . .
C14 C9 O5 C4 7.2(3) . .
C10 C9 O5 C4 -174.4(2) . .
C3 C4 O5 C9 -102.8(3) . .
C5 C4 O5 C9 84.0(3) . .
C1 O1 Co1 O11 18.94(19) . 6_565
C1 O1 Co1 O3 -165.29(15) . 6_565
C1 O1 Co1 N4 -73.57(17) . 1_545
C1 O1 Co1 N3 103.99(17) . .
C1 O1 Co1 O4 -161.75(17) . 6_565
C45 N3 Co1 O11 156.9(2) . 6_565
C41 N3 Co1 O11 -20.9(2) . 6_565
C45 N3 Co1 O1 34.8(2) . .
C41 N3 Co1 O1 -143.0(2) . .
C45 N3 Co1 O3 -110.1(2) . 6_565
C41 N3 Co1 O3 72.1(2) . 6_565
C45 N3 Co1 N4 107.3(18) . 1_545
C41 N3 Co1 N4 -70.5(19) . 1_545
C45 N3 Co1 O4 -52.1(2) . 6_565
C41 N3 Co1 O4 130.14(19) . 6_565
C1 O2 Co2 O10 86.6(5) . 6_565
C1 O2 Co2 N1 -5.2(5) . .
C1 O2 Co2 N2 171.3(5) . 1_545
C1 O2 Co2 O9 -99.8(5) . .
C1 O2 Co2 O8 -93.5(5) . .
C35 N1 Co2 O2 -9.87(19) . .
C31 N1 Co2 O2 171.28(19) . .
C35 N1 Co2 O10 -131.25(19) . 6_565
C31 N1 Co2 O10 49.90(19) . 6_565
C35 N1 Co2 N2 -89.3(13) . 1_545
C31 N1 Co2 N2 91.8(13) . 1_545
C35 N1 Co2 O9 81.65(19) . .
C31 N1 Co2 O9 -97.20(19) . .
C35 N1 Co2 O8 141.23(19) . .
C31 N1 Co2 O8 -37.63(19) . .
C16 O9 Co2 O2 173.80(14) . .
C16 O9 Co2 O10 -16.2(2) . 6_565
C16 O9 Co2 N1 81.87(15) . .
C16 O9 Co2 N2 -98.69(15) . 1_545
C16 O9 Co2 O8 -2.73(13) . .
C16 O8 Co2 O2 -4.4(2) . .
C16 O8 Co2 O10 175.42(14) . 6_565
C16 O8 Co2 N1 -93.86(14) . .
C16 O8 Co2 N2 88.91(14) . 1_545
C16 O8 Co2 O9 2.76(13) . .
