#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:36:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179903 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/99/7019981.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_7019981
loop_
_publ_author_name
'Wang, Xiu-Li'
'Mu, Bao'
'Lin, Hong-Yan'
'Yang, Song'
'Liu, Guo-Cheng'
'Tian, Ai-Xiang'
'Zhang, Ju-Wen'
_publ_section_title
;
 Assembly and properties of transition-metal coordination polymers based
 on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on
 the dimensionality.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11074
_journal_page_last               11084
_journal_paper_doi               10.1039/c2dt30907f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C26 H30 Co N4 O9, H2 O'
_chemical_formula_sum            'C26 H32 Co N4 O10'
_chemical_formula_weight         619.49
_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                 110.317(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.8523(14)
_cell_length_b                   17.0220(14)
_cell_length_c                   13.9949(9)
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.7661
_cell_measurement_theta_min      2.7347
_cell_volume                     5775.4(7)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '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  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0122
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            47299
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    0.656
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2584
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.445
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         6836
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0443P)²+5.9279P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0790
_refine_ls_wR_factor_ref         0.0833
_reflns_number_gt                6264
_reflns_number_total             6887
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30907f.txt
_cod_data_source_block           Complex1
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7019981
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
C1 C 0.80473(6) 0.93022(10) 0.32453(12) 0.0399(3) Uani 1 1 d .
H1 H 0.7810 0.9260 0.3614 0.048 Uiso 1 1 calc R
C2 C 0.80742(7) 1.00057(10) 0.27779(13) 0.0436(4) Uani 1 1 d .
H2 H 0.7856 1.0426 0.2832 0.052 Uiso 1 1 calc R
C3 C 0.84248(7) 1.00916(9) 0.22275(12) 0.0399(3) Uani 1 1 d .
H3 H 0.8445 1.0562 0.1903 0.048 Uiso 1 1 calc R
C4 C 0.87457(6) 0.94476(8) 0.21794(10) 0.0313(3) Uani 1 1 d .
C5 C 0.86895(6) 0.87554(8) 0.26639(11) 0.0317(3) Uani 1 1 d .
H5 H 0.8901 0.8324 0.2619 0.038 Uiso 1 1 calc R
C6 C 0.92581(7) 1.00123(9) 0.11441(13) 0.0412(3) Uani 1 1 d .
C7 C 0.97157(6) 0.98321(9) 0.07299(12) 0.0389(3) Uani 1 1 d .
H7 H 0.9920 0.9370 0.1083 0.047 Uiso 1 1 calc R
C8 C 0.94529(7) 0.96453(11) -0.04016(13) 0.0451(4) Uani 1 1 d .
H8A H 0.9226 1.0085 -0.0746 0.054 Uiso 1 1 calc R
H8B H 0.9216 0.9190 -0.0488 0.054 Uiso 1 1 calc R
C9 C 0.98871(7) 0.94823(11) -0.08878(14) 0.0460(4) Uani 1 1 d .
H9A H 1.0091 0.9012 -0.0589 0.055 Uiso 1 1 calc R
H9B H 0.9706 0.9390 -0.1612 0.055 Uiso 1 1 calc R
C10 C 0.79911(6) 0.58706(9) 0.43493(12) 0.0409(3) Uani 1 1 d .
H10 H 0.7766 0.5919 0.3670 0.049 Uiso 1 1 calc R
C11 C 0.79724(8) 0.51839(10) 0.48564(14) 0.0530(5) Uani 1 1 d .
H11 H 0.7733 0.4784 0.4522 0.064 Uiso 1 1 calc R
C12 C 0.83088(8) 0.50874(10) 0.58622(13) 0.0487(4) Uani 1 1 d .
H12 H 0.8298 0.4630 0.6217 0.058 Uiso 1 1 calc R
C13 C 0.86633(6) 0.56986(8) 0.63222(10) 0.0340(3) Uani 1 1 d .
C14 C 0.86472(5) 0.63804(8) 0.57655(10) 0.0301(3) Uani 1 1 d .
H14 H 0.8876 0.6795 0.6086 0.036 Uiso 1 1 calc R
C15 C 0.91277(7) 0.51292(9) 0.80339(12) 0.0443(4) Uani 1 1 d .
C16 C 0.96135(7) 0.52686(9) 0.90076(11) 0.0442(4) Uani 1 1 d .
H16 H 0.9746 0.5807 0.8998 0.053 Uiso 1 1 calc R
C17 C 0.94351(8) 0.51776(14) 0.99233(13) 0.0561(5) Uani 1 1 d .
H17A H 0.9280 0.4658 0.9917 0.067 Uiso 1 1 calc R
H17B H 0.9150 0.5560 0.9883 0.067 Uiso 1 1 calc R
C18 C 0.99184(8) 0.52937(13) 1.09187(13) 0.0549(5) Uani 1 1 d .
H18A H 1.0051 0.5830 1.0956 0.066 Uiso 1 1 calc R
H18B H 0.9794 0.5207 1.1490 0.066 Uiso 1 1 calc R
C19 C 0.71387(6) 0.73517(9) 0.26283(11) 0.0328(3) Uani 1 1 d .
C20 C 0.67604(6) 0.74663(9) 0.15393(11) 0.0336(3) Uani 1 1 d .
C21 C 0.61904(6) 0.74705(8) 0.12928(11) 0.0293(3) Uani 1 1 d .
H21 H 0.6040 0.7394 0.1801 0.035 Uiso 1 1 calc R
C22 C 0.58432(5) 0.75888(9) 0.02908(10) 0.0313(3) Uani 1 1 d .
C23 C 0.60672(7) 0.77243(13) -0.04645(12) 0.0500(4) Uani 1 1 d .
H23 H 0.5837 0.7804 -0.1134 0.060 Uiso 1 1 calc R
C24 C 0.66343(7) 0.77397(17) -0.02184(14) 0.0675(7) Uani 1 1 d .
H24 H 0.6784 0.7840 -0.0722 0.081 Uiso 1 1 calc R
C25 C 0.69802(7) 0.76058(14) 0.07752(14) 0.0570(5) Uani 1 1 d .
H25 H 0.7361 0.7609 0.0933 0.068 Uiso 1 1 calc R
C26 C 0.52250(5) 0.75812(8) 0.00174(10) 0.0291(3) Uani 1 1 d .
N1 N 0.83496(5) 0.86756(7) 0.31894(9) 0.0311(2) Uani 1 1 d .
N2 N 0.91498(5) 0.94408(7) 0.17142(10) 0.0368(3) Uani 1 1 d .
H2A H 0.9350 0.9025 0.1804 0.044 Uiso 1 1 calc R
N3 N 0.83208(5) 0.64713(7) 0.47953(8) 0.0294(2) Uani 1 1 d .
N4 N 0.90553(6) 0.56859(8) 0.73124(9) 0.0411(3) Uani 1 1 d .
H4 H 0.9276 0.6081 0.7479 0.049 Uiso 1 1 calc R
O1 O 0.76438(4) 0.72630(7) 0.27654(8) 0.0363(2) Uani 1 1 d .
O1W O 0.88631(4) 0.70251(6) 0.33237(8) 0.0330(2) Uani 1 1 d .
O2 O 0.69321(5) 0.73640(10) 0.33079(9) 0.0563(4) Uani 1 1 d .
O2W O 0.90065(4) 0.79415(6) 0.51701(8) 0.0335(2) Uani 1 1 d .
H2WB H 0.9033 0.8410 0.5393 0.040 Uiso 1 1 d R
H1WB H 0.9206 0.7085 0.3575 0.040 Uiso 1 1 d R
H1WA H 0.8836 0.6530 0.3232 0.040 Uiso 1 1 d R
H2WA H 0.9330 0.7761 0.5301 0.040 Uiso 1 1 d R
O3 O 0.50351(4) 0.75931(7) 0.07266(8) 0.0400(3) Uani 1 1 d .
O3W O 0.78519(4) 0.81621(6) 0.47264(8) 0.0352(2) Uani 1 1 d .
H3WA H 0.7510 0.8063 0.4444 0.042 Uiso 1 1 d R
H3WB H 0.7946 0.8023 0.5347 0.042 Uiso 1 1 d R
O4 O 0.49314(4) 0.75635(7) -0.09087(8) 0.0425(3) Uani 1 1 d .
O5 O 0.89940(7) 1.06219(8) 0.09527(14) 0.0737(5) Uani 1 1 d .
O6 O 0.88246(7) 0.45595(8) 0.79047(11) 0.0702(5) Uani 1 1 d .
Co1 Co 0.833134(6) 0.756419(10) 0.397507(12) 0.02301(6) Uani 1 1 d .
O4W O 1.0000 0.67577(10) 0.7500 0.0452(4) Uani 1 2 d S
O5W O 1.0000 0.82551(9) 1.2500 0.0363(3) Uani 1 2 d S
H5W H 1.0002 0.7980 1.1994 0.044 Uiso 1 1 d R
H4W H 0.9986 0.7063 0.7971 0.044 Uiso 1 1 d 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
N1 C1 C2 122.49(13) . .
N1 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C1 C2 C3 120.41(14) . .
C1 C2 H2 119.8 . .
C3 C2 H2 119.8 . .
C2 C3 C4 117.39(13) . .
C2 C3 H3 121.3 . .
C4 C3 H3 121.3 . .
C3 C4 C5 118.61(12) . .
C3 C4 N2 125.38(12) . .
C5 C4 N2 115.94(12) . .
N1 C5 C4 123.69(13) . .
N1 C5 H5 118.2 . .
C4 C5 H5 118.2 . .
O5 C6 N2 121.92(14) . .
O5 C6 C7 122.61(13) . .
N2 C6 C7 115.45(13) . .
C6 C7 C9 111.47(14) . 5_775
C6 C7 C8 108.26(13) . .
C9 C7 C8 110.27(12) 5_775 .
C6 C7 H7 108.9 . .
C9 C7 H7 108.9 5_775 .
C8 C7 H7 108.9 . .
C7 C8 C9 111.67(14) . .
C7 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
C7 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 107.9 . .
C7 C9 C8 111.10(14) 5_775 .
C7 C9 H9A 109.4 5_775 .
C8 C9 H9A 109.4 . .
C7 C9 H9B 109.4 5_775 .
C8 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
N3 C10 C11 122.59(14) . .
N3 C10 H10 118.7 . .
C11 C10 H10 118.7 . .
C10 C11 C12 120.19(15) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C11 C12 C13 117.60(14) . .
C11 C12 H12 121.2 . .
C13 C12 H12 121.2 . .
C12 C13 C14 118.63(13) . .
C12 C13 N4 125.45(13) . .
C14 C13 N4 115.90(12) . .
N3 C14 C13 123.49(12) . .
N3 C14 H14 118.3 . .
C13 C14 H14 118.3 . .
O6 C15 N4 122.15(15) . .
O6 C15 C16 123.10(13) . .
N4 C15 C16 114.75(13) . .
C17 C16 C15 110.12(15) . .
C17 C16 C18 110.38(14) . 5_767
C15 C16 C18 110.75(15) . 5_767
C17 C16 H16 108.5 . .
C15 C16 H16 108.5 . .
C18 C16 H16 108.5 5_767 .
C16 C17 C18 111.47(16) . .
C16 C17 H17A 109.3 . .
C18 C17 H17A 109.3 . .
C16 C17 H17B 109.3 . .
C18 C17 H17B 109.3 . .
H17A C17 H17B 108.0 . .
C16 C18 C17 111.15(16) 5_767 .
C16 C18 H18A 109.4 5_767 .
C17 C18 H18A 109.4 . .
C16 C18 H18B 109.4 5_767 .
C17 C18 H18B 109.4 . .
H18A C18 H18B 108.0 . .
O2 C19 O1 125.68(13) . .
O2 C19 C20 118.06(13) . .
O1 C19 C20 116.26(13) . .
C21 C20 C25 119.16(13) . .
C21 C20 C19 120.63(13) . .
C25 C20 C19 120.14(13) . .
C20 C21 C22 120.47(13) . .
C20 C21 H21 119.8 . .
C22 C21 H21 119.8 . .
C23 C22 C21 119.81(13) . .
C23 C22 C26 119.54(13) . .
C21 C22 C26 120.65(12) . .
C24 C23 C22 119.92(15) . .
C24 C23 H23 120.0 . .
C22 C23 H23 120.0 . .
C23 C24 C25 120.31(16) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C24 C25 C20 120.30(15) . .
C24 C25 H25 119.8 . .
C20 C25 H25 119.8 . .
O3 C26 O4 123.83(13) . .
O3 C26 C22 118.14(12) . .
O4 C26 C22 118.03(12) . .
C5 N1 C1 117.40(12) . .
C5 N1 Co1 119.74(9) . .
C1 N1 Co1 122.80(9) . .
C6 N2 C4 127.37(13) . .
C6 N2 H2A 116.3 . .
C4 N2 H2A 116.3 . .
C14 N3 C10 117.43(12) . .
C14 N3 Co1 120.84(9) . .
C10 N3 Co1 121.73(9) . .
C15 N4 C13 127.89(13) . .
C15 N4 H4 116.1 . .
C13 N4 H4 116.1 . .
C19 O1 Co1 130.62(10) . .
Co1 O1W H1WB 121.3 . .
Co1 O1W H1WA 117.7 . .
H1WB O1W H1WA 101.7 . .
Co1 O2W H2WB 121.9 . .
Co1 O2W H2WA 123.8 . .
H2WB O2W H2WA 108.2 . .
Co1 O3W H3WA 111.3 . .
Co1 O3W H3WB 111.1 . .
H3WA O3W H3WB 107.7 . .
O1 Co1 O2W 176.28(4) . .
O1 Co1 O1W 92.45(4) . .
O2W Co1 O1W 89.47(4) . .
O1 Co1 O3W 92.33(4) . .
O2W Co1 O3W 85.68(4) . .
O1W Co1 O3W 175.06(4) . .
O1 Co1 N3 93.18(4) . .
O2W Co1 N3 90.03(4) . .
O1W Co1 N3 89.17(4) . .
O3W Co1 N3 91.81(4) . .
O1 Co1 N1 88.00(4) . .
O2W Co1 N1 88.76(4) . .
O1W Co1 N1 91.60(4) . .
O3W Co1 N1 87.31(4) . .
N3 Co1 N1 178.56(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.3404(19) .
C1 C2 1.378(2) .
C1 H1 0.9300 .
C2 C3 1.386(2) .
C2 H2 0.9300 .
C3 C4 1.390(2) .
C3 H3 0.9300 .
C4 C5 1.3920(18) .
C4 N2 1.4098(17) .
C5 N1 1.3343(16) .
C5 H5 0.9300 .
C6 O5 1.2196(19) .
C6 N2 1.3477(17) .
C6 C7 1.519(2) .
C7 C9 1.519(2) 5_775
C7 C8 1.524(2) .
C7 H7 0.9800 .
C8 C9 1.527(2) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C7 1.519(2) 5_775
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N3 1.3386(18) .
C10 C11 1.377(2) .
C10 H10 0.9300 .
C11 C12 1.384(2) .
C11 H11 0.9300 .
C12 C13 1.388(2) .
C12 H12 0.9300 .
C13 C14 1.3902(18) .
C13 N4 1.4045(18) .
C14 N3 1.3356(16) .
C14 H14 0.9300 .
C15 O6 1.220(2) .
C15 N4 1.3496(18) .
C15 C16 1.517(2) .
C16 C17 1.513(2) .
C16 C18 1.518(3) 5_767
C16 H16 0.9800 .
C17 C18 1.527(2) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C16 1.518(3) 5_767
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 O2 1.2423(19) .
C19 O1 1.2612(17) .
C19 C20 1.5107(19) .
C20 C21 1.3920(19) .
C20 C25 1.395(2) .
C21 C22 1.3923(19) .
C21 H21 0.9300 .
C22 C23 1.389(2) .
C22 C26 1.5087(18) .
C23 C24 1.385(2) .
C23 H23 0.9300 .
C24 C25 1.386(2) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 O3 1.2511(18) .
C26 O4 1.2545(17) .
N1 Co1 2.1969(11) .
N2 H2A 0.8600 .
N3 Co1 2.1911(11) .
N4 H4 0.8600 .
O1 Co1 2.0490(10) .
O1W Co1 2.1056(10) .
O1W H1WB 0.8397 .
O1W H1WA 0.8520 .
O2W Co1 2.0565(9) .
O2W H2WB 0.8499 .
O2W H2WA 0.8500 .
O3W Co1 2.1407(10) .
O3W H3WA 0.8500 .
O3W H3WB 0.8501 .
O4W H4W 0.8500 .
O5W H5W 0.8500 .
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
N4 H4 O4W 0.86 2.19 2.9860(17) 154.0 .
O3W H3WA O2 0.85 2.13 2.8571(17) 143.7 .
N2 H2A O5W 0.86 2.09 2.9044(16) 158.7 1_554
O2W H2WB O5 0.85 1.84 2.6842(15) 170.3 6_576
O1W H1WB O4 0.84 1.86 2.6856(14) 168.2 8_566
O1W H1WA O6 0.85 1.91 2.7548(16) 172.6 6_565
O2W H2WA O3 0.85 1.81 2.6585(14) 173.6 8_566
O3W H3WB O2 0.85 1.91 2.7594(15) 172.4 7_666
O5W H5W O4 0.85 1.84 2.6845(13) 174.4 7_666
O4W H4W O3 0.85 1.93 2.7468(13) 159.9 7_666
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
N1 C1 C2 C3 -0.4(3) . .
C1 C2 C3 C4 -0.6(3) . .
C2 C3 C4 C5 1.3(2) . .
C2 C3 C4 N2 -175.62(15) . .
C3 C4 C5 N1 -1.1(2) . .
N2 C4 C5 N1 176.10(13) . .
O5 C6 C7 C9 48.4(2) . 5_775
N2 C6 C7 C9 -133.65(16) . 5_775
O5 C6 C7 C8 -73.0(2) . .
N2 C6 C7 C8 104.90(17) . .
C6 C7 C8 C9 178.16(14) . .
C9 C7 C8 C9 56.0(2) 5_775 .
C7 C8 C9 C7 -56.4(2) . 5_775
N3 C10 C11 C12 -1.1(3) . .
C10 C11 C12 C13 -0.8(3) . .
C11 C12 C13 C14 2.4(3) . .
C11 C12 C13 N4 -176.01(18) . .
C12 C13 C14 N3 -2.3(2) . .
N4 C13 C14 N3 176.17(14) . .
O6 C15 C16 C17 -49.3(3) . .
N4 C15 C16 C17 130.85(18) . .
O6 C15 C16 C18 73.0(2) . 5_767
N4 C15 C16 C18 -106.79(18) . 5_767
C15 C16 C17 C18 178.55(16) . .
C18 C16 C17 C18 56.0(2) 5_767 .
C16 C17 C18 C16 -56.4(2) . 5_767
O2 C19 C20 C21 -9.2(2) . .
O1 C19 C20 C21 171.89(14) . .
O2 C19 C20 C25 167.85(18) . .
O1 C19 C20 C25 -11.1(2) . .
C25 C20 C21 C22 1.9(2) . .
C19 C20 C21 C22 178.97(13) . .
C20 C21 C22 C23 -1.7(2) . .
C20 C21 C22 C26 179.04(13) . .
C21 C22 C23 C24 0.1(3) . .
C26 C22 C23 C24 179.4(2) . .
C22 C23 C24 C25 1.2(4) . .
C23 C24 C25 C20 -1.0(4) . .
C21 C20 C25 C24 -0.6(3) . .
C19 C20 C25 C24 -177.6(2) . .
C23 C22 C26 O3 -167.98(16) . .
C21 C22 C26 O3 11.3(2) . .
C23 C22 C26 O4 12.0(2) . .
C21 C22 C26 O4 -168.73(14) . .
C4 C5 N1 C1 0.1(2) . .
C4 C5 N1 Co1 -177.17(11) . .
C2 C1 N1 C5 0.6(2) . .
C2 C1 N1 Co1 177.82(13) . .
O5 C6 N2 C4 -1.2(3) . .
C7 C6 N2 C4 -179.21(15) . .
C3 C4 N2 C6 -7.8(3) . .
C5 C4 N2 C6 175.18(16) . .
C13 C14 N3 C10 0.5(2) . .
C13 C14 N3 Co1 -179.28(11) . .
C11 C10 N3 C14 1.2(2) . .
C11 C10 N3 Co1 -178.98(15) . .
O6 C15 N4 C13 -3.4(3) . .
C16 C15 N4 C13 176.41(16) . .
C12 C13 N4 C15 -7.2(3) . .
C14 C13 N4 C15 174.37(17) . .
O2 C19 O1 Co1 -29.6(2) . .
C20 C19 O1 Co1 149.28(11) . .
C19 O1 Co1 O2W -63.8(7) . .
C19 O1 Co1 O1W 175.12(13) . .
C19 O1 Co1 O3W -6.14(13) . .
C19 O1 Co1 N3 85.81(13) . .
C19 O1 Co1 N1 -93.36(13) . .
C14 N3 Co1 O1 -169.56(11) . .
C10 N3 Co1 O1 10.62(12) . .
C14 N3 Co1 O2W 8.56(11) . .
C10 N3 Co1 O2W -171.26(12) . .
C14 N3 Co1 O1W 98.03(11) . .
C10 N3 Co1 O1W -81.78(12) . .
C14 N3 Co1 O3W -77.12(11) . .
C10 N3 Co1 O3W 103.06(12) . .
C14 N3 Co1 N1 -24.6(17) . .
C10 N3 Co1 N1 155.6(16) . .
C5 N1 Co1 O1 -99.00(11) . .
C1 N1 Co1 O1 83.85(12) . .
C5 N1 Co1 O2W 82.84(11) . .
C1 N1 Co1 O2W -94.31(12) . .
C5 N1 Co1 O1W -6.60(11) . .
C1 N1 Co1 O1W 176.25(12) . .
C5 N1 Co1 O3W 168.57(11) . .
C1 N1 Co1 O3W -8.58(12) . .
C5 N1 Co1 N3 116.0(16) . .
C1 N1 Co1 N3 -61.1(17) . .
