#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:23:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/01/7210197.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_7210197
loop_
_publ_author_name
'Li, Meng-Yuan'
'Sevov, Slavi C.'
_publ_section_title
;
 Mellitate-based coordination polymers with a recurring motif: controlling
 dimensionality with secondary ligands
;
_journal_issue                   25
_journal_name_full               CrystEngComm
_journal_page_first              5107
_journal_paper_doi               10.1039/c3ce40442k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C44 H34 Co4 N4 O37'
_chemical_formula_weight         1446.47
_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                98.946(3)
_cell_angle_beta                 101.634(3)
_cell_angle_gamma                90.142(3)
_cell_formula_units_Z            2
_cell_length_a                   11.3330(7)
_cell_length_b                   15.2656(10)
_cell_length_c                   15.6223(10)
_cell_measurement_temperature    296(2)
_cell_volume                     2613.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_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  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0962
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21445
_diffrn_reflns_theta_full        26.48
_diffrn_reflns_theta_max         26.48
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    1.366
_exptl_absorpt_correction_T_max  0.934
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Blessing, R.H. (1995) Acta Cryst. A51, 33-38'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1460
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.864
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     683
_refine_ls_number_reflns         10609
_refine_ls_number_restraints     490
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0603
_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)+(0.0886P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1469
_refine_ls_wR_factor_ref         0.1703
_reflns_number_gt                6712
_reflns_number_total             10609
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40442k.txt
_cod_data_source_block           1
_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_database_code               7210197
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
Co1 Co 0.20426(6) 0.35556(5) 0.49943(5) 0.01126(18) Uani 1 1 d .
Co2 Co 0.57349(6) 0.54117(5) 0.76221(5) 0.00724(17) Uani 1 1 d .
Co3 Co -0.29475(6) 1.14221(5) 0.49984(5) 0.01172(19) Uani 1 1 d .
Co4 Co 0.07442(6) 1.04174(5) 0.76441(5) 0.00749(17) Uani 1 1 d .
O1 O 0.3182(3) 0.6001(3) 0.6351(3) 0.0175(9) Uani 1 1 d .
O1W O 0.5370(3) 0.4316(2) 0.6555(2) 0.0095(8) Uani 1 1 d .
O1S O 0.574(2) 0.9777(17) 0.0741(16) 0.124(11) Uiso 0.41(2) 1 d P
O2W O 0.5504(3) 0.6181(2) 0.6557(2) 0.0094(8) Uani 1 1 d .
O2 O 0.3899(3) 0.5395(2) 0.7575(2) 0.0117(8) Uani 1 1 d .
O2S O 1.0589(19) 0.4938(16) 0.0832(15) 0.162(12) Uiso 0.53(2) 1 d P
O3 O 0.2468(3) 0.7346(2) 0.7722(3) 0.0127(8) Uani 1 1 d .
O3W O 0.3682(3) 0.4092(3) 0.5002(3) 0.0264(11) Uani 1 1 d .
O4 O 0.0905(3) 0.7593(2) 0.6666(3) 0.0141(8) Uani 1 1 d .
O4W O 0.2593(4) 0.2218(3) 0.4994(3) 0.0252(10) Uani 1 1 d .
O5 O -0.1059(3) 0.7317(2) 0.7765(2) 0.0129(8) Uani 1 1 d .
O5W O 0.0303(4) 0.3180(3) 0.4983(3) 0.0285(11) Uani 1 1 d .
O6 O -0.1831(3) 0.6776(2) 0.6371(2) 0.0112(8) Uani 1 1 d .
O6W O 0.1391(4) 0.4875(3) 0.5001(3) 0.0276(11) Uani 1 1 d .
O7 O -0.2433(3) 0.4437(3) 0.6327(3) 0.0169(9) Uani 1 1 d .
O7W O 0.0358(3) 1.1165(2) 0.6555(2) 0.0114(8) Uani 1 1 d .
O8 O -0.2457(3) 0.5395(2) 0.7565(3) 0.0126(8) Uani 1 1 d .
O8W O 0.0519(3) 0.9307(2) 0.6586(2) 0.0130(8) Uani 1 1 d .
O9 O 0.0009(3) 0.2929(2) 0.6625(2) 0.0124(8) Uani 1 1 d .
O9W O -0.1311(4) 1.0898(3) 0.4991(3) 0.0296(11) Uani 1 1 d .
O10 O -0.0969(3) 0.3516(2) 0.7680(3) 0.0129(8) Uani 1 1 d .
O10W O -0.3589(4) 1.0115(3) 0.5000(3) 0.0250(10) Uani 1 1 d .
O11 O 0.2591(3) 0.3642(2) 0.6352(2) 0.0108(8) Uani 1 1 d .
O11W O -0.4674(3) 1.1790(3) 0.4993(3) 0.0250(10) Uani 1 1 d .
O12 O 0.2618(3) 0.3554(2) 0.7753(2) 0.0126(8) Uani 1 1 d .
O12W O -0.2400(4) 1.2775(3) 0.4997(3) 0.0262(10) Uani 1 1 d .
O13 O -0.1088(3) 1.0346(2) 0.7599(2) 0.0113(8) Uani 1 1 d .
O14 O -0.1819(3) 0.9402(3) 0.6358(3) 0.0173(9) Uani 1 1 d .
O15 O -0.2378(3) 1.1759(3) 0.6361(2) 0.0139(8) Uani 1 1 d .
O16 O -0.2286(3) 1.2264(2) 0.7785(2) 0.0107(8) Uani 1 1 d .
O17 O -0.4901(3) 1.2597(2) 0.6656(3) 0.0159(9) Uani 1 1 d .
O18 O -0.5898(3) 1.2373(2) 0.7703(3) 0.0144(9) Uani 1 1 d .
O19 O -0.7408(3) 1.1030(3) 0.6359(3) 0.0179(9) Uani 1 1 d .
O20 O -0.7449(3) 1.0460(3) 0.7590(3) 0.0133(8) Uani 1 1 d .
O21 O -0.6854(3) 0.8666(2) 0.6364(2) 0.0136(8) Uani 1 1 d .
O22 O -0.6139(3) 0.8612(2) 0.7783(2) 0.0123(8) Uani 1 1 d .
O23 O -0.4169(3) 0.7920(2) 0.6650(3) 0.0151(9) Uani 1 1 d .
O24 O -0.2599(3) 0.8483(2) 0.7708(2) 0.0128(8) Uani 1 1 d .
N1 N 0.6201(4) 0.4736(3) 0.8726(3) 0.0128(10) Uani 1 1 d .
N2 N 0.5853(4) 0.6442(3) 0.8714(3) 0.0131(10) Uani 1 1 d .
N3 N 0.1120(4) 0.9759(3) 0.8764(3) 0.0138(10) Uani 1 1 d .
N4 N 0.1016(4) 1.1463(3) 0.8717(3) 0.0118(10) Uani 1 1 d .
C1 C 0.1798(4) 0.5489(3) 0.7113(3) 0.0071(9) Uani 1 1 d U
C2 C 0.1034(4) 0.6194(4) 0.7142(3) 0.0085(10) Uiso 1 1 d U
C3 C -0.0192(4) 0.6030(3) 0.7120(3) 0.0078(10) Uiso 1 1 d U
C4 C -0.0616(4) 0.5172(4) 0.7105(3) 0.0089(10) Uiso 1 1 d U
C5 C 0.0171(4) 0.4475(3) 0.7119(3) 0.0072(10) Uiso 1 1 d U
C6 C 0.1382(4) 0.4633(4) 0.7117(3) 0.0087(10) Uiso 1 1 d U
C7 C 0.3067(4) 0.5656(3) 0.7004(3) 0.0077(10) Uiso 1 1 d U
C8 C 0.1494(4) 0.7117(4) 0.7163(3) 0.0097(10) Uiso 1 1 d U
C9 C -0.1088(4) 0.6751(3) 0.7056(3) 0.0080(10) Uiso 1 1 d U
C10 C -0.1940(4) 0.4978(3) 0.6998(3) 0.0073(10) Uiso 1 1 d U
C11 C -0.0304(4) 0.3564(4) 0.7127(3) 0.0090(10) Uiso 1 1 d U
C12 C 0.2244(4) 0.3890(3) 0.7052(3) 0.0071(10) Uiso 1 1 d U
C13 C -0.3205(4) 1.0159(4) 0.7126(3) 0.0084(10) Uiso 1 1 d U
C14 C -0.3586(4) 1.1017(3) 0.7129(3) 0.0060(10) Uiso 1 1 d U
C15 C -0.5611(4) 1.0514(3) 0.7120(3) 0.0067(10) Uiso 1 1 d U
C16 C -0.4795(4) 1.1200(3) 0.7137(3) 0.0078(10) Uiso 1 1 d U
C17 C -0.5221(4) 0.9645(3) 0.7124(3) 0.0060(10) Uiso 1 1 d U
C18 C -0.4012(4) 0.9470(3) 0.7144(3) 0.0077(10) Uiso 1 1 d U
C19 C -0.1930(4) 0.9947(3) 0.7025(3) 0.0077(10) Uiso 1 1 d U
C20 C -0.2699(4) 1.1734(3) 0.7065(3) 0.0081(10) Uiso 1 1 d U
C21 C -0.5232(4) 1.2139(3) 0.7161(3) 0.0073(10) Uiso 1 1 d U
C22 C -0.6929(4) 1.0695(3) 0.7024(3) 0.0083(10) Uiso 1 1 d U
C23 C -0.6144(4) 0.8924(4) 0.7064(3) 0.0088(11) Uiso 1 1 d U
C24 C -0.3546(4) 0.8546(3) 0.7164(3) 0.0084(10) Uiso 1 1 d U
C25 C 0.6516(5) 0.3894(4) 0.8692(4) 0.0205(12) Uiso 1 1 d U
H25A H 0.6448 0.3546 0.8139 0.025 Uiso 1 1 calc R
C26 C 0.6933(6) 0.3516(4) 0.9422(4) 0.0290(14) Uani 1 1 d U
H26A H 0.7145 0.2925 0.9366 0.035 Uiso 1 1 calc R
C27 C 0.7036(6) 0.4019(5) 1.0244(5) 0.0326(14) Uani 1 1 d U
H27A H 0.7289 0.3769 1.0753 0.039 Uiso 1 1 calc R
C28 C 0.6762(6) 0.4897(4) 1.0301(4) 0.0284(13) Uani 1 1 d U
H28A H 0.6858 0.5257 1.0850 0.034 Uiso 1 1 calc R
C29 C 0.6339(5) 0.5243(4) 0.9532(4) 0.0201(11) Uani 1 1 d U
C30 C 0.6057(5) 0.6184(4) 0.9515(4) 0.0186(11) Uani 1 1 d U
C31 C 0.5978(6) 0.6769(4) 1.0264(4) 0.0289(13) Uani 1 1 d U
H31A H 0.6101 0.6578 1.0811 0.035 Uiso 1 1 calc R
C32 C 0.5715(6) 0.7642(4) 1.0198(4) 0.0287(14) Uani 1 1 d U
H32A H 0.5694 0.8048 1.0703 0.034 Uiso 1 1 calc R
C33 C 0.5486(6) 0.7903(4) 0.9388(4) 0.0268(14) Uani 1 1 d U
H33A H 0.5279 0.8482 0.9325 0.032 Uiso 1 1 calc R
C34 C 0.5571(5) 0.7278(4) 0.8660(4) 0.0207(12) Uani 1 1 d U
H34A H 0.5424 0.7454 0.8105 0.025 Uiso 1 1 calc R
C35 C 0.1175(6) 0.8889(4) 0.8739(4) 0.0235(12) Uani 1 1 d U
H35A H 0.0996 0.8523 0.8191 0.028 Uiso 1 1 calc R
C36 C 0.1488(6) 0.8498(5) 0.9497(5) 0.0320(14) Uani 1 1 d U
H36A H 0.1519 0.7885 0.9455 0.038 Uiso 1 1 calc R
C37 C 0.1749(6) 0.9030(5) 1.0306(5) 0.0340(14) Uani 1 1 d U
H37A H 0.1958 0.8784 1.0822 0.041 Uiso 1 1 calc R
C38 C 0.1698(6) 0.9949(5) 1.0344(4) 0.0286(13) Uani 1 1 d U
H38A H 0.1876 1.0329 1.0883 0.034 Uiso 1 1 calc R
C39 C 0.1373(5) 1.0276(4) 0.9557(4) 0.0164(11) Uani 1 1 d U
C40 C 0.1274(5) 1.1248(4) 0.9534(4) 0.0173(11) Uani 1 1 d U
C41 C 0.1394(6) 1.1875(4) 1.0281(4) 0.0262(13) Uani 1 1 d U
H41A H 0.1592 1.1708 1.0839 0.031 Uiso 1 1 calc R
C42 C 0.1220(6) 1.2750(4) 1.0198(4) 0.0271(13) Uani 1 1 d U
H42A H 0.1267 1.3178 1.0699 0.033 Uiso 1 1 calc R
C43 C 0.0975(6) 1.2988(4) 0.9372(4) 0.0272(14) Uani 1 1 d U
H43A H 0.0859 1.3577 0.9299 0.033 Uiso 1 1 calc R
C44 C 0.0905(5) 1.2322(4) 0.8643(4) 0.0225(13) Uani 1 1 d U
H44A H 0.0775 1.2481 0.8082 0.027 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
O3W Co1 O5W 172.4(2) . .
O3W Co1 O11 86.99(16) . .
O5W Co1 O11 94.07(16) . .
O3W Co1 O6 87.43(15) . 2_566
O5W Co1 O6 93.28(16) . 2_566
O11 Co1 O6 165.18(14) . 2_566
O3W Co1 O4W 96.65(18) . .
O5W Co1 O4W 90.95(18) . .
O11 Co1 O4W 83.16(15) . .
O6 Co1 O4W 83.86(15) 2_566 .
O3W Co1 O6W 86.52(19) . .
O5W Co1 O6W 85.88(19) . .
O11 Co1 O6W 96.78(15) . .
O6 Co1 O6W 96.57(15) 2_566 .
O4W Co1 O6W 176.81(17) . .
O2 Co2 O8 175.57(15) . 1_655
O2 Co2 N2 85.97(16) . .
O8 Co2 N2 97.87(16) 1_655 .
O2 Co2 N1 96.28(16) . .
O8 Co2 N1 86.76(16) 1_655 .
N2 Co2 N1 76.98(18) . .
O2 Co2 O1W 86.31(14) . .
O8 Co2 O1W 89.96(14) 1_655 .
N2 Co2 O1W 171.72(15) . .
N1 Co2 O1W 100.92(16) . .
O2 Co2 O2W 90.64(14) . .
O8 Co2 O2W 86.54(14) 1_655 .
N2 Co2 O2W 100.06(16) . .
N1 Co2 O2W 172.23(16) . .
O1W Co2 O2W 83.01(14) . .
O9W Co3 O11W 172.8(2) . .
O9W Co3 O21 86.66(16) . 2_476
O11W Co3 O21 93.71(15) . 2_476
O9W Co3 O15 86.83(16) . .
O11W Co3 O15 94.53(15) . .
O21 Co3 O15 164.31(14) 2_476 .
O9W Co3 O10W 86.67(19) . .
O11W Co3 O10W 86.17(18) . .
O21 Co3 O10W 97.11(15) 2_476 .
O15 Co3 O10W 96.74(15) . .
O9W Co3 O12W 96.65(19) . .
O11W Co3 O12W 90.52(18) . .
O21 Co3 O12W 83.08(15) 2_476 .
O15 Co3 O12W 83.52(16) . .
O10W Co3 O12W 176.68(17) . .
O13 Co4 O20 175.80(16) . 1_655
O13 Co4 N4 92.26(16) . .
O20 Co4 N4 91.31(16) 1_655 .
O13 Co4 N3 91.89(16) . .
O20 Co4 N3 91.09(16) 1_655 .
N4 Co4 N3 76.60(18) . .
O13 Co4 O8W 88.97(14) . .
O20 Co4 O8W 87.56(15) 1_655 .
N4 Co4 O8W 177.23(16) . .
N3 Co4 O8W 100.88(17) . .
O13 Co4 O7W 87.78(14) . .
O20 Co4 O7W 89.43(14) 1_655 .
N4 Co4 O7W 99.93(16) . .
N3 Co4 O7W 176.50(16) . .
O8W Co4 O7W 82.60(14) . .
C7 O2 Co2 128.4(3) . .
C9 O6 Co1 140.9(3) . 2_566
C10 O8 Co2 129.9(3) . 1_455
C12 O11 Co1 141.5(3) . .
C19 O13 Co4 131.0(3) . .
C20 O15 Co3 142.3(3) . .
C22 O20 Co4 130.8(3) . 1_455
C23 O21 Co3 142.1(4) . 2_476
C25 N1 C29 117.8(5) . .
C25 N1 Co2 125.6(4) . .
C29 N1 Co2 116.0(4) . .
C34 N2 C30 118.5(5) . .
C34 N2 Co2 125.1(4) . .
C30 N2 Co2 115.6(4) . .
C35 N3 C39 117.9(5) . .
C35 N3 Co4 125.5(4) . .
C39 N3 Co4 116.5(4) . .
C44 N4 C40 118.0(5) . .
C44 N4 Co4 124.6(4) . .
C40 N4 Co4 117.3(4) . .
C2 C1 C6 120.9(5) . .
C2 C1 C7 118.5(5) . .
C6 C1 C7 120.4(4) . .
C1 C2 C3 119.2(5) . .
C1 C2 C8 120.6(4) . .
C3 C2 C8 120.1(4) . .
C4 C3 C2 119.9(5) . .
C4 C3 C9 118.2(4) . .
C2 C3 C9 121.8(5) . .
C3 C4 C5 120.3(5) . .
C3 C4 C10 120.2(5) . .
C5 C4 C10 119.3(5) . .
C4 C5 C6 119.8(5) . .
C4 C5 C11 119.1(4) . .
C6 C5 C11 121.1(4) . .
C1 C6 C5 119.7(5) . .
C1 C6 C12 118.3(4) . .
C5 C6 C12 121.8(5) . .
O1 C7 O2 127.4(5) . .
O1 C7 C1 116.9(4) . .
O2 C7 C1 115.7(4) . .
O4 C8 O3 126.0(5) . .
O4 C8 C2 119.1(5) . .
O3 C8 C2 114.9(5) . .
O6 C9 O5 122.3(5) . .
O6 C9 C3 121.3(5) . .
O5 C9 C3 116.4(4) . .
O8 C10 O7 126.3(5) . .
O8 C10 C4 116.9(5) . .
O7 C10 C4 116.7(4) . .
O9 C11 O10 126.3(5) . .
O9 C11 C5 118.6(5) . .
O10 C11 C5 115.0(4) . .
O11 C12 O12 122.5(5) . .
O11 C12 C6 120.7(5) . .
O12 C12 C6 116.8(4) . .
C14 C13 C18 120.6(5) . .
C14 C13 C19 119.7(5) . .
C18 C13 C19 119.5(5) . .
C13 C14 C16 119.8(5) . .
C13 C14 C20 118.9(4) . .
C16 C14 C20 121.2(4) . .
C16 C15 C17 120.1(5) . .
C16 C15 C22 119.8(5) . .
C17 C15 C22 119.9(4) . .
C15 C16 C14 120.0(5) . .
C15 C16 C21 119.1(4) . .
C14 C16 C21 120.9(4) . .
C18 C17 C15 119.7(5) . .
C18 C17 C23 122.1(5) . .
C15 C17 C23 118.1(4) . .
C17 C18 C13 119.7(5) . .
C17 C18 C24 121.6(5) . .
C13 C18 C24 118.7(4) . .
O13 C19 O14 126.1(5) . .
O13 C19 C13 117.2(4) . .
O14 C19 C13 116.7(4) . .
O15 C20 O16 124.0(5) . .
O15 C20 C14 120.1(5) . .
O16 C20 C14 115.8(4) . .
O17 C21 O18 126.6(5) . .
O17 C21 C16 117.8(4) . .
O18 C21 C16 115.6(4) . .
O20 C22 O19 126.6(5) . .
O20 C22 C15 116.9(5) . .
O19 C22 C15 116.4(4) . .
O21 C23 O22 123.6(5) . .
O21 C23 C17 120.7(5) . .
O22 C23 C17 115.7(4) . .
O24 C24 O23 126.8(5) . .
O24 C24 C18 116.0(5) . .
O23 C24 C18 117.1(4) . .
N1 C25 C26 123.5(6) . .
C25 C26 C27 119.0(6) . .
C28 C27 C26 118.9(6) . .
C27 C28 C29 119.3(6) . .
N1 C29 C28 121.5(6) . .
N1 C29 C30 114.7(5) . .
C28 C29 C30 123.8(6) . .
N2 C30 C31 121.1(6) . .
N2 C30 C29 116.1(5) . .
C31 C30 C29 122.8(6) . .
C32 C31 C30 119.5(6) . .
C33 C32 C31 119.6(6) . .
C32 C33 C34 117.9(6) . .
N2 C34 C33 123.3(6) . .
N3 C35 C36 122.8(6) . .
C37 C36 C35 119.0(6) . .
C36 C37 C38 119.0(6) . .
C39 C38 C37 117.9(6) . .
N3 C39 C38 123.4(6) . .
N3 C39 C40 114.9(5) . .
C38 C39 C40 121.7(5) . .
N4 C40 C41 122.1(6) . .
N4 C40 C39 114.5(5) . .
C41 C40 C39 123.3(5) . .
C42 C41 C40 119.5(6) . .
C43 C42 C41 119.4(6) . .
C42 C43 C44 118.1(6) . .
N4 C44 C43 122.8(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3W 2.026(4) .
Co1 O5W 2.047(4) .
Co1 O11 2.069(4) .
Co1 O6 2.079(4) 2_566
Co1 O4W 2.136(4) .
Co1 O6W 2.146(4) .
Co2 O2 2.067(3) .
Co2 O8 2.069(3) 1_655
Co2 N2 2.115(5) .
Co2 N1 2.123(5) .
Co2 O1W 2.145(4) .
Co2 O2W 2.156(4) .
Co3 O9W 2.024(4) .
Co3 O11W 2.036(4) .
Co3 O21 2.077(4) 2_476
Co3 O15 2.077(4) .
Co3 O10W 2.122(4) .
Co3 O12W 2.156(4) .
Co4 O13 2.065(3) .
Co4 O20 2.068(3) 1_655
Co4 N4 2.101(5) .
Co4 N3 2.121(5) .
Co4 O8W 2.151(4) .
Co4 O7W 2.166(4) .
O1 C7 1.247(6) .
O2 C7 1.271(6) .
O3 C8 1.272(6) .
O4 C8 1.242(6) .
O5 C9 1.290(6) .
O6 C9 1.226(6) .
O6 Co1 2.079(4) 2_566
O7 C10 1.259(6) .
O8 C10 1.253(6) .
O8 Co2 2.069(3) 1_455
O9 C11 1.247(6) .
O10 C11 1.267(6) .
O11 C12 1.241(6) .
O12 C12 1.278(6) .
O13 C19 1.253(6) .
O14 C19 1.257(6) .
O15 C20 1.233(6) .
O16 C20 1.281(6) .
O17 C21 1.242(6) .
O18 C21 1.256(6) .
O19 C22 1.255(6) .
O20 C22 1.251(6) .
O20 Co4 2.068(3) 1_455
O21 C23 1.229(6) .
O21 Co3 2.077(4) 2_476
O22 C23 1.286(6) .
O23 C24 1.259(6) .
O24 C24 1.241(6) .
N1 C25 1.331(7) .
N1 C29 1.351(7) .
N2 C34 1.329(7) .
N2 C30 1.345(7) .
N3 C35 1.325(8) .
N3 C39 1.339(7) .
N4 C44 1.338(7) .
N4 C40 1.342(7) .
C1 C2 1.384(7) .
C1 C6 1.389(7) .
C1 C7 1.508(7) .
C2 C3 1.404(7) .
C2 C8 1.494(7) .
C3 C4 1.389(7) .
C3 C9 1.500(7) .
C4 C5 1.391(7) .
C4 C10 1.499(7) .
C5 C6 1.393(7) .
C5 C11 1.492(7) .
C6 C12 1.503(7) .
C13 C14 1.380(7) .
C13 C18 1.399(7) .
C13 C19 1.516(7) .
C14 C16 1.401(7) .
C14 C20 1.512(7) .
C15 C16 1.389(7) .
C15 C17 1.401(7) .
C15 C22 1.501(7) .
C16 C21 1.515(7) .
C17 C18 1.391(7) .
C17 C23 1.495(7) .
C18 C24 1.511(7) .
C25 C26 1.358(9) .
C26 C27 1.373(9) .
C27 C28 1.369(9) .
C28 C29 1.385(8) .
C29 C30 1.475(8) .
C30 C31 1.377(8) .
C31 C32 1.380(9) .
C32 C33 1.361(9) .
C33 C34 1.386(8) .
C35 C36 1.391(9) .
C36 C37 1.368(10) .
C37 C38 1.396(9) .
C38 C39 1.381(8) .
C39 C40 1.494(8) .
C40 C41 1.372(8) .
C41 C42 1.373(9) .
C42 C43 1.371(9) .
C43 C44 1.392(8) .
