#------------------------------------------------------------------------------
#$Date: 2016-03-26 20:45:27 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180447 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/16/7211651.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_7211651
loop_
_publ_author_name
'Huang, Fu-Ping'
'Tian, Jin-Lei'
'Li, Dong-Dong'
'Chen, Gong-Jun'
'Gu, Wen'
'Yan, Shi-Ping'
'Liu, Xin'
'Liao, Dai-Zheng'
'Cheng, Peng'
_publ_section_title
;
 Pillared cobalt--organic framework with an unprecedented
 (3,4,6)-connected architecture showing the coexistence of spin canting
 and long-range magnetic ordering
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              395
_journal_paper_doi               10.1039/b911950g
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C42 H40 Co2 N14 O15'
_chemical_formula_weight         1098.74
_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                 116.37(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.368(6)
_cell_length_b                   11.144(2)
_cell_length_c                   16.695(3)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.5
_cell_volume                     4729(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0728
_diffrn_reflns_av_sigmaI/netI    0.0554
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18638
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2940
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.455
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4127
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0938
_refine_ls_R_factor_gt           0.0635
_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)+(0.0442P)²+40.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1407
_reflns_number_gt                3122
_reflns_number_total             4127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911950g.txt
_cod_data_source_block           aa
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from
2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed
to 'constr' 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 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7211651
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.2500 0.2500 0.0000 0.0163(2) Uani 1 2 d S . .
Co2 Co 0.2500 -0.2500 0.0000 0.0182(2) Uani 1 2 d S . .
C1 C 0.23502(16) -0.0008(4) 0.0715(3) 0.0179(9) Uani 1 1 d . . .
C2 C 0.22978(17) -0.0557(4) 0.1505(3) 0.0187(10) Uani 1 1 d . . .
C3 C 0.26565(17) -0.1420(4) 0.2072(3) 0.0182(10) Uani 1 1 d . . .
C4 C 0.31247(18) -0.1882(4) 0.1962(3) 0.0210(10) Uani 1 1 d . . .
C5 C 0.18955(18) -0.0138(4) 0.1682(3) 0.0226(10) Uani 1 1 d . . .
H5 H 0.1658 0.0429 0.1310 0.027 Uiso 1 1 calc R . .
C6 C 0.18517(18) -0.0577(4) 0.2425(3) 0.0227(10) Uani 1 1 d . . .
C7 C 0.22113(17) -0.1408(4) 0.3004(3) 0.0183(10) Uani 1 1 d . . .
C8 C 0.26101(18) -0.1841(4) 0.2818(3) 0.0222(10) Uani 1 1 d . . .
H8 H 0.2845 -0.2410 0.3189 0.027 Uiso 1 1 calc R . .
C9 C 0.16826(19) -0.0939(4) 0.3562(3) 0.0248(11) Uani 1 1 d . . .
H9 H 0.1523 -0.0893 0.3941 0.030 Uiso 1 1 calc R . .
C10 C 0.35524(19) 0.0878(5) 0.0907(3) 0.0296(12) Uani 1 1 d . . .
H10 H 0.3368 0.0493 0.1176 0.035 Uiso 1 1 calc R . .
C11 C 0.40658(19) 0.0522(5) 0.1156(3) 0.0304(12) Uani 1 1 d . . .
H11 H 0.4219 -0.0077 0.1583 0.037 Uiso 1 1 calc R . .
C12 C 0.43481(18) 0.1070(4) 0.0760(3) 0.0251(11) Uani 1 1 d . . .
C13 C 0.40898(19) 0.1955(5) 0.0132(3) 0.0314(12) Uani 1 1 d . . .
H13 H 0.4260 0.2344 -0.0158 0.038 Uiso 1 1 calc R . .
C14 C 0.35838(19) 0.2251(4) -0.0059(3) 0.0278(12) Uani 1 1 d . . .
H14 H 0.3423 0.2856 -0.0476 0.033 Uiso 1 1 calc R . .
C15 C 0.48956(18) 0.0783(4) 0.0970(3) 0.0265(11) Uani 1 1 d . . .
C16 C 0.56348(19) 0.0912(5) 0.0951(3) 0.0289(12) Uani 1 1 d . . .
C17 C 0.60731(18) 0.1277(4) 0.0757(3) 0.0254(11) Uani 1 1 d . . .
C18 C 0.5989(2) 0.2139(5) 0.0107(4) 0.0382(14) Uani 1 1 d . . .
H18 H 0.5660 0.2497 -0.0195 0.046 Uiso 1 1 calc R . .
C19 C 0.6395(2) 0.2458(5) -0.0086(4) 0.0346(13) Uani 1 1 d . . .
H19 H 0.6333 0.3032 -0.0527 0.042 Uiso 1 1 calc R . .
C20 C 0.69547(19) 0.1156(5) 0.0953(3) 0.0272(11) Uani 1 1 d . . .
H20 H 0.7288 0.0819 0.1249 0.033 Uiso 1 1 calc R . .
C21 C 0.65696(18) 0.0775(5) 0.1181(3) 0.0284(12) Uani 1 1 d . . .
H21 H 0.6642 0.0186 0.1614 0.034 Uiso 1 1 calc R . .
N1 N 0.33033(14) 0.1731(3) 0.0314(2) 0.0207(9) Uani 1 1 d . . .
N2 N 0.51657(15) 0.1434(4) 0.0614(3) 0.0310(10) Uani 1 1 d . . .
N3 N 0.51726(15) -0.0116(4) 0.1492(3) 0.0326(10) Uani 1 1 d . . .
N4 N 0.56443(15) -0.0006(4) 0.1473(3) 0.0327(10) Uani 1 1 d . . .
N5 N 0.68742(15) 0.1984(3) 0.0327(3) 0.0217(9) Uani 1 1 d . . .
N6 N 0.15138(16) -0.0314(4) 0.2796(3) 0.0285(10) Uani 1 1 d . . .
N7 N 0.20942(15) -0.1620(3) 0.3727(2) 0.0208(9) Uani 1 1 d . . .
O1 O 0.23272(12) 0.1115(3) 0.0673(2) 0.0216(7) Uani 1 1 d . . .
O2 O 0.24094(13) -0.0676(3) 0.0159(2) 0.0251(8) Uani 1 1 d . . .
O3 O 0.30619(12) -0.2563(3) 0.1325(2) 0.0288(8) Uani 1 1 d . . .
O4 O 0.35703(14) -0.1623(4) 0.2569(3) 0.0447(10) Uani 1 1 d . . .
O5 O 0.4246(2) 0.6513(5) 0.2848(5) 0.0950(19) Uani 1 1 d U . .
O6 O 0.5000 0.7732(12) 0.2500 0.176(5) Uani 1 2 d SU . .
H6A H 0.5079 0.7512 0.2967 0.211 Uiso 1 1 d R . .
H5A H 0.4200 0.6529 0.2369 0.211 Uiso 1 1 d R . .
H5B H 0.4127 0.7060 0.2941 0.211 Uiso 1 1 d R . .
H7A H 0.5032 0.4083 1.0094 0.211 Uiso 1 1 d R . .
H7B H 0.4631 0.4230 0.9479 0.211 Uiso 1 1 d R . .
H4 H 0.5879 -0.0471 0.1772 0.106 Uiso 1 1 d R . .
H6 H 0.1263 0.0175 0.2600 0.106 Uiso 1 1 d R . .
H8A H -0.0173 0.8644 0.2607 0.387 Uiso 1 1 d R . .
H8B H 0.0712 0.9850 0.4184 0.387 Uiso 1 1 d R . .
O7 O 0.4867(5) 0.3850(14) 0.9633(9) 0.248(6) Uani 1 1 d U . .
O8 O 0.0508(13) 0.983(3) 0.358(2) 0.305(12) Uani 0.578(16) 1 d PU A 1
O8' O -0.004(2) 0.891(4) 0.283(3) 0.310(13) Uani 0.422(16) 1 d PU . 2
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
O1 Co1 O1 180.00 7 .
O1 Co1 N7 87.47(13) 7 6
O1 Co1 N7 92.53(13) . 6
O1 Co1 N7 92.53(13) 7 4
O1 Co1 N7 87.47(13) . 4
N7 Co1 N7 180.00 6 4
O1 Co1 N1 87.23(13) 7 .
O1 Co1 N1 92.77(13) . .
N7 Co1 N1 95.62(14) 6 .
N7 Co1 N1 84.38(14) 4 .
O1 Co1 N1 92.77(13) 7 7
O1 Co1 N1 87.23(13) . 7
N7 Co1 N1 84.38(14) 6 7
N7 Co1 N1 95.62(14) 4 7
N1 Co1 N1 180.00 . 7
O3 Co2 O3 180.0 . 7_545
O3 Co2 O2 91.31(13) . 7_545
O3 Co2 O2 88.69(13) 7_545 7_545
O3 Co2 O2 88.69(13) . .
O3 Co2 O2 91.31(13) 7_545 .
O2 Co2 O2 180.0 7_545 .
O3 Co2 N5 87.14(14) . 5_655
O3 Co2 N5 92.86(14) 7_545 5_655
O2 Co2 N5 93.78(13) 7_545 5_655
O2 Co2 N5 86.22(13) . 5_655
O3 Co2 N5 92.86(14) . 3_445
O3 Co2 N5 87.14(14) 7_545 3_445
O2 Co2 N5 86.22(13) 7_545 3_445
O2 Co2 N5 93.78(13) . 3_445
N5 Co2 N5 180.00 5_655 3_445
O1 C1 O2 124.8(4) . .
O1 C1 C2 115.3(4) . .
O2 C1 C2 119.9(4) . .
C5 C2 C3 120.3(4) . .
C5 C2 C1 117.2(4) . .
C3 C2 C1 122.4(4) . .
C8 C3 C2 120.2(4) . .
C8 C3 C4 115.6(4) . .
C2 C3 C4 124.1(4) . .
O4 C4 O3 122.5(4) . .
O4 C4 C3 116.7(4) . .
O3 C4 C3 120.6(4) . .
C2 C5 C6 118.8(4) . .
C2 C5 H5 120.6 . .
C6 C5 H5 120.6 . .
N6 C6 C5 132.8(4) . .
N6 C6 C7 105.5(4) . .
C5 C6 C7 121.6(4) . .
C8 C7 C6 119.4(4) . .
C8 C7 N7 131.4(4) . .
C6 C7 N7 109.1(4) . .
C7 C8 C3 119.7(4) . .
C7 C8 H8 120.2 . .
C3 C8 H8 120.2 . .
N7 C9 N6 114.0(4) . .
N7 C9 H9 123.0 . .
N6 C9 H9 123.0 . .
N1 C10 C11 124.8(4) . .
N1 C10 H10 117.6 . .
C11 C10 H10 117.6 . .
C10 C11 C12 118.9(5) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C11 C12 C13 116.8(4) . .
C11 C12 C15 124.3(4) . .
C13 C12 C15 118.9(4) . .
C14 C13 C12 119.7(5) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
N1 C14 C13 124.5(5) . .
N1 C14 H14 117.7 . .
C13 C14 H14 117.7 . .
N3 C15 N2 113.7(4) . .
N3 C15 C12 125.1(4) . .
N2 C15 C12 121.2(4) . .
N2 C16 N4 109.7(4) . .
N2 C16 C17 124.8(4) . .
N4 C16 C17 125.4(4) . .
C21 C17 C18 117.6(4) . .
C21 C17 C16 122.9(4) . .
C18 C17 C16 119.5(4) . .
C19 C18 C17 119.4(5) . .
C19 C18 H18 120.3 . .
C17 C18 H18 120.3 . .
N5 C19 C18 123.0(5) . .
N5 C19 H19 118.5 . .
C18 C19 H19 118.5 . .
N5 C20 C21 123.3(4) . .
N5 C20 H20 118.3 . .
C21 C20 H20 118.3 . .
C20 C21 C17 119.2(5) . .
C20 C21 H21 120.4 . .
C17 C21 H21 120.4 . .
C10 N1 C14 115.3(4) . .
C10 N1 Co1 126.2(3) . .
C14 N1 Co1 118.2(3) . .
C16 N2 C15 103.5(4) . .
C15 N3 N4 102.6(4) . .
C16 N4 N3 110.5(4) . .
C16 N4 H4 131.2 . .
N3 N4 H4 118.3 . .
C19 N5 C20 117.5(4) . .
C19 N5 Co2 121.9(3) . 3
C20 N5 Co2 120.6(3) . 3
C9 N6 C6 107.0(4) . .
C9 N6 H6 126.2 . .
C6 N6 H6 126.7 . .
C9 N7 C7 104.4(4) . .
C9 N7 Co1 120.4(3) . 4_545
C7 N7 Co1 134.2(3) . 4_545
C1 O1 Co1 138.4(3) . .
C1 O2 Co2 137.5(3) . .
C4 O3 Co2 129.5(3) . .
H5A O5 H5B 108.7 . .
H7B O7 H7A 102.5 . .
H7B O7 H7B 0.0 . .
H7A O7 H7B 102.5 . .
O8' O8 H8B 134.3 . .
O8' O8' O8 100(5) 2 .
O8' O8' H8A 72.3 2 .
O8 O8' H8A 172.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.091(3) 7
Co1 O1 2.091(3) .
Co1 N7 2.151(4) 6
Co1 N7 2.151(4) 4
Co1 N1 2.267(4) .
Co1 N1 2.267(4) 7
Co2 O3 2.075(3) .
Co2 O3 2.075(3) 7_545
Co2 O2 2.081(3) 7_545
Co2 O2 2.081(3) .
Co2 N5 2.155(4) 5_655
Co2 N5 2.155(4) 3_445
C1 O1 1.254(5) .
C1 O2 1.257(5) .
C1 C2 1.520(6) .
C2 C5 1.381(6) .
C2 C3 1.414(6) .
C3 C8 1.390(6) .
C3 C4 1.510(6) .
C4 O4 1.253(6) .
C4 O3 1.254(5) .
C5 C6 1.389(6) .
C5 H5 0.9300 .
C6 N6 1.384(6) .
C6 C7 1.399(6) .
C7 C8 1.387(6) .
C7 N7 1.407(5) .
C8 H8 0.9300 .
C9 N7 1.315(6) .
C9 N6 1.344(6) .
C9 H9 0.9300 .
C10 N1 1.327(6) .
C10 C11 1.384(7) .
C10 H10 0.9300 .
C11 C12 1.387(7) .
C11 H11 0.9300 .
C12 C13 1.387(7) .
C12 C15 1.468(6) .
C13 C14 1.366(7) .
C13 H13 0.9300 .
C14 N1 1.340(6) .
C14 H14 0.9300 .
C15 N3 1.331(6) .
C15 N2 1.368(6) .
C16 N2 1.327(6) .
C16 N4 1.337(6) .
C16 C17 1.474(6) .
C17 C21 1.383(7) .
C17 C18 1.388(7) .
C18 C19 1.377(7) .
C18 H18 0.9300 .
C19 N5 1.329(6) .
C19 H19 0.9300 .
C20 N5 1.335(6) .
C20 C21 1.374(6) .
C20 H20 0.9300 .
C21 H21 0.9300 .
N3 N4 1.358(5) .
N4 H4 0.8158 .
N5 Co2 2.155(4) 3
N6 H6 0.8391 .
N7 Co1 2.151(4) 4_545
O5 H5A 0.7502 .
O5 H5B 0.7465 .
O6 H6A 0.7501 .
O7 H7B 0.7364 .
O7 H7A 0.7477 .
O7 H7B 0.7364 .
O8 O8' 1.82(5) .
O8 H8B 0.9132 .
O8' O8' 1.23(8) 2
O8' H8A 0.4957 .
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
O1 C1 C2 C5 46.9(6) . .
O2 C1 C2 C5 -132.8(4) . .
O1 C1 C2 C3 -130.0(4) . .
O2 C1 C2 C3 50.3(6) . .
C5 C2 C3 C8 -0.7(7) . .
C1 C2 C3 C8 176.1(4) . .
C5 C2 C3 C4 -176.6(4) . .
C1 C2 C3 C4 0.2(7) . .
C8 C3 C4 O4 -62.1(6) . .
C2 C3 C4 O4 113.9(5) . .
C8 C3 C4 O3 112.9(5) . .
C2 C3 C4 O3 -71.1(6) . .
C3 C2 C5 C6 0.1(7) . .
C1 C2 C5 C6 -176.9(4) . .
C2 C5 C6 N6 177.3(5) . .
C2 C5 C6 C7 1.5(7) . .
N6 C6 C7 C8 -179.3(4) . .
C5 C6 C7 C8 -2.5(7) . .
N6 C6 C7 N7 -1.2(5) . .
C5 C6 C7 N7 175.6(4) . .
C6 C7 C8 C3 1.8(7) . .
N7 C7 C8 C3 -175.8(5) . .
C2 C3 C8 C7 -0.2(7) . .
C4 C3 C8 C7 176.0(4) . .
N1 C10 C11 C12 -0.8(8) . .
C10 C11 C12 C13 0.1(7) . .
C10 C11 C12 C15 179.4(5) . .
C11 C12 C13 C14 0.7(8) . .
C15 C12 C13 C14 -178.6(5) . .
C12 C13 C14 N1 -1.0(8) . .
C11 C12 C15 N3 7.4(8) . .
C13 C12 C15 N3 -173.3(5) . .
C11 C12 C15 N2 -174.0(5) . .
C13 C12 C15 N2 5.3(7) . .
N2 C16 C17 C21 174.4(5) . .
N4 C16 C17 C21 -7.2(8) . .
N2 C16 C17 C18 -7.4(8) . .
N4 C16 C17 C18 171.0(5) . .
C21 C17 C18 C19 -0.2(8) . .
C16 C17 C18 C19 -178.5(5) . .
C17 C18 C19 N5 -0.5(9) . .
N5 C20 C21 C17 -1.0(8) . .
C18 C17 C21 C20 0.9(8) . .
C16 C17 C21 C20 179.2(5) . .
C11 C10 N1 C14 0.5(7) . .
C11 C10 N1 Co1 -172.4(4) . .
C13 C14 N1 C10 0.3(7) . .
C13 C14 N1 Co1 173.8(4) . .
O1 Co1 N1 C10 166.4(4) 7 .
O1 Co1 N1 C10 -13.6(4) . .
N7 Co1 N1 C10 -106.4(4) 6 .
N7 Co1 N1 C10 73.6(4) 4 .
N1 Co1 N1 C10 20(77) 7 .
O1 Co1 N1 C14 -6.3(3) 7 .
O1 Co1 N1 C14 173.7(3) . .
N7 Co1 N1 C14 80.8(4) 6 .
N7 Co1 N1 C14 -99.2(4) 4 .
N1 Co1 N1 C14 -153(77) 7 .
N4 C16 N2 C15 0.5(6) . .
C17 C16 N2 C15 179.1(5) . .
N3 C15 N2 C16 -1.0(6) . .
C12 C15 N2 C16 -179.8(5) . .
N2 C15 N3 N4 1.1(6) . .
C12 C15 N3 N4 179.8(5) . .
N2 C16 N4 N3 0.1(6) . .
C17 C16 N4 N3 -178.5(5) . .
C15 N3 N4 C16 -0.7(6) . .
C18 C19 N5 C20 0.5(8) . .
C18 C19 N5 Co2 179.6(4) . 3
C21 C20 N5 C19 0.3(7) . .
C21 C20 N5 Co2 -178.9(4) . 3
N7 C9 N6 C6 -1.7(6) . .
C5 C6 N6 C9 -174.6(5) . .
C7 C6 N6 C9 1.7(5) . .
N6 C9 N7 C7 0.9(5) . .
N6 C9 N7 Co1 171.1(3) . 4_545
C8 C7 N7 C9 178.0(5) . .
C6 C7 N7 C9 0.2(5) . .
C8 C7 N7 Co1 9.8(8) . 4_545
C6 C7 N7 Co1 -168.0(3) . 4_545
O2 C1 O1 Co1 -15.1(7) . .
C2 C1 O1 Co1 165.2(3) . .
O1 Co1 O1 C1 147(100) 7 .
N7 Co1 O1 C1 48.3(5) 6 .
N7 Co1 O1 C1 -131.7(5) 4 .
N1 Co1 O1 C1 -47.5(5) . .
N1 Co1 O1 C1 132.5(5) 7 .
O1 C1 O2 Co2 176.6(3) . .
C2 C1 O2 Co2 -3.8(7) . .
O3 Co2 O2 C1 -47.3(4) . .
O3 Co2 O2 C1 132.7(4) 7_545 .
O2 Co2 O2 C1 57(26) 7_545 .
N5 Co2 O2 C1 -134.5(4) 5_655 .
N5 Co2 O2 C1 45.5(4) 3_445 .
O4 C4 O3 Co2 -145.0(4) . .
C3 C4 O3 Co2 40.3(6) . .
O3 Co2 O3 C4 -37(66) 7_545 .
O2 Co2 O3 C4 -156.3(4) 7_545 .
O2 Co2 O3 C4 23.7(4) . .
N5 Co2 O3 C4 110.0(4) 5_655 .
N5 Co2 O3 C4 -70.0(4) 3_445 .
