#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/27/2222787.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2222787
loop_
_publ_author_name
'Wu, Huilu'
'Yun, Ruirui'
'Huang, Xingcai'
'Sun, Qingyu'
'Qi, Baoliang'
_publ_section_title
;
 Bis[1,3-bis(benzimidazol-2-yl)-2-oxapropane]cobalt(II) dipicrate
 acetonitrile trisolvate
;
_journal_coeditor_code           LH2846
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m851
_journal_paper_doi               10.1107/S1600536809024234
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Co (C16 H14 N4 O)2] (C6 H2 N3 O7)2, 3C2 H3 N'
_chemical_formula_moiety
'C32 H28 Co N8 O2, 2(C6 H2 N3 O7 -), 3(C2 H3 N)'
_chemical_formula_sum            'C50 H41 Co N17 O16'
_chemical_formula_weight         1194.93
_chemical_name_systematic
;
Bis[1,3-bis(benzimidazol-2-yl)-2-oxapropane]cobalt(II) dipicrate acetonitrile
trisolvate
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 111.1640(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4114(3)
_cell_length_b                   9.9303(2)
_cell_length_c                   25.1442(6)
_cell_measurement_reflns_used    7749
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.16
_cell_volume                     2657.12(11)
_computing_cell_refinement       'RAPID-AUTO (Rigaku/MSC, 2004)'
_computing_data_collection       'RAPID-AUTO (Rigaku/MSC, 2004)'
_computing_data_reduction        'RAPID-AUTO (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS Spider'
_diffrn_measurement_method       'φ and ω'
_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  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0179
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            25278
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.411
_exptl_absorpt_correction_T_max  0.9334
_exptl_absorpt_correction_T_min  0.8935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1230
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.450
_refine_diff_density_min         -0.300
_refine_ls_extinction_coef       0.0036(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         6093
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0308
_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)+(0.0487P)²+0.9118P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0867
_reflns_number_gt                5418
_reflns_number_total             6093
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2846.cif
_cod_data_source_block           I
_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_enum 1527 2010-12-29 10:47:43Z saulius 

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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2222787
_cod_database_fobs_code          2222787
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co 0.5000 0.36301(2) 0.7500 0.01700(8) Uani d S 1 . .
O O1 0.67337(8) 0.24981(9) 0.71220(4) 0.02259(19) Uani d . 1 . .
O O2 0.74591(13) 0.49084(15) 0.46620(6) 0.0583(4) Uani d . 1 . .
O O3 0.54824(12) 0.47322(11) 0.41556(5) 0.0409(3) Uani d . 1 . .
O O4 0.25535(11) 0.76959(16) 0.44436(6) 0.0567(4) Uani d . 1 . .
O O5 0.29928(11) 0.88294(12) 0.52194(5) 0.0428(3) Uani d . 1 . .
O O6 0.54003(9) 0.96666(10) 0.56756(4) 0.0292(2) Uani d . 1 . .
O O7 0.78254(12) 0.91568(16) 0.63960(5) 0.0522(3) Uani d . 1 . .
O O8 0.88585(11) 0.89860(13) 0.58266(5) 0.0420(3) Uani d . 1 . .
N N1 0.41234(10) 0.25020(10) 0.67914(4) 0.0200(2) Uani d . 1 . .
N N2 0.39034(10) 0.10735(11) 0.60795(4) 0.0202(2) Uani d D 1 . .
N N3 0.62918(10) 0.49981(11) 0.74562(4) 0.0195(2) Uani d . 1 . .
N N4 0.77113(11) 0.58828(12) 0.71442(5) 0.0260(2) Uani d D 1 . .
N N5 0.63674(13) 0.52737(13) 0.45326(5) 0.0342(3) Uani d . 1 . .
N N6 0.33090(11) 0.81256(13) 0.48951(5) 0.0309(3) Uani d . 1 . .
N N7 0.79113(12) 0.88240(13) 0.59422(5) 0.0332(3) Uani d . 1 . .
N N8 0.93174(15) 0.59702(16) 0.64743(6) 0.0452(4) Uani d . 1 . .
N N9 1.0000 0.3626(2) 0.7500 0.0471(5) Uani d S 1 . .
C C1 0.28403(12) 0.23999(12) 0.64561(5) 0.0196(2) Uani d . 1 . .
C C2 0.17845(12) 0.29913(14) 0.65151(5) 0.0252(3) Uani d . 1 . .
H H2 0.1860 0.3604 0.6816 0.030 Uiso calc R 1 . .
C C3 0.06220(13) 0.26482(15) 0.61173(6) 0.0282(3) Uani d . 1 . .
H H3 -0.0113 0.3029 0.6150 0.034 Uiso calc R 1 . .
C C4 0.04975(13) 0.17528(15) 0.56674(6) 0.0278(3) Uani d . 1 . .
H H4 -0.0317 0.1546 0.5402 0.033 Uiso calc R 1 . .
C C5 0.15352(13) 0.11673(14) 0.56030(6) 0.0249(3) Uani d . 1 . .
H H5 0.1458 0.0568 0.5298 0.030 Uiso calc R 1 . .
C C6 0.26998(12) 0.14996(12) 0.60080(5) 0.0194(2) Uani d . 1 . .
C C7 0.47004(12) 0.16761(12) 0.65481(5) 0.0197(2) Uani d . 1 . .
C C8 0.60830(12) 0.13872(13) 0.67854(6) 0.0252(3) Uani d . 1 . .
H H8A 0.6244 0.0564 0.7023 0.030 Uiso calc R 1 . .
H H8B 0.6391 0.1231 0.6469 0.030 Uiso calc R 1 . .
C C9 0.68619(12) 0.35957(13) 0.67806(5) 0.0222(3) Uani d . 1 . .
H H9A 0.6121 0.3650 0.6422 0.027 Uiso calc R 1 . .
H H9B 0.7624 0.3481 0.6684 0.027 Uiso calc R 1 . .
C C10 0.69630(11) 0.48306(13) 0.71274(5) 0.0201(2) Uani d . 1 . .
C C11 0.75372(13) 0.68185(14) 0.75169(6) 0.0267(3) Uani d . 1 . .
C C12 0.80865(17) 0.80687(16) 0.77019(7) 0.0396(4) Uani d . 1 . .
H H12 0.8685 0.8446 0.7562 0.047 Uiso calc R 1 . .
C C13 0.77203(19) 0.87304(16) 0.80967(8) 0.0450(4) Uani d . 1 . .
H H13 0.8071 0.9588 0.8232 0.054 Uiso calc R 1 . .
C C14 0.68394(17) 0.81668(16) 0.83043(7) 0.0393(4) Uani d . 1 . .
H H14 0.6612 0.8653 0.8578 0.047 Uiso calc R 1 . .
C C15 0.62941(14) 0.69269(15) 0.81217(6) 0.0293(3) Uani d . 1 . .
H H15 0.5702 0.6549 0.8265 0.035 Uiso calc R 1 . .
C C16 0.66544(13) 0.62542(13) 0.77169(5) 0.0221(3) Uani d . 1 . .
C C17 0.61070(14) 0.63884(13) 0.48431(6) 0.0262(3) Uani d . 1 . .
C C18 0.48772(13) 0.67268(13) 0.47497(5) 0.0238(3) Uani d . 1 . .
H H18 0.4208 0.6222 0.4489 0.029 Uiso calc R 1 . .
C C19 0.46257(13) 0.78010(13) 0.50371(5) 0.0233(3) Uani d . 1 . .
C C20 0.55850(13) 0.86220(13) 0.54417(5) 0.0228(3) Uani d . 1 . .
C C21 0.68386(13) 0.81456(14) 0.55233(6) 0.0260(3) Uani d . 1 . .
C C22 0.70968(14) 0.71058(15) 0.52261(6) 0.0288(3) Uani d . 1 . .
H H22 0.7941 0.6878 0.5281 0.035 Uiso calc R 1 . .
C C23 1.05744(17) 0.6226(2) 0.58074(8) 0.0495(5) Uani d . 1 . .
H H23A 1.0127 0.5755 0.5449 0.059 Uiso calc R 1 . .
H H23B 1.1415 0.5837 0.5987 0.059 Uiso calc R 1 . .
H H23C 1.0648 0.7183 0.5730 0.059 Uiso calc R 1 . .
C C24 0.98832(15) 0.60810(18) 0.61876(7) 0.0371(4) Uani d . 1 . .
C C25 1.0000 0.1051(3) 0.7500 0.0971(16) Uani d S 1 . .
H H25A 1.0691 0.0722 0.7836 0.116 Uiso calc PR 0.50 . .
H H25B 1.0110 0.0722 0.7154 0.116 Uiso calc PR 0.50 . .
H H25C 0.9199 0.0722 0.7511 0.116 Uiso calc PR 0.50 . .
C C26 1.0000 0.2497(2) 0.7500 0.0355(5) Uani d S 1 . .
H H2N 0.4130(16) 0.0525(15) 0.5871(7) 0.037(5) Uiso d D 1 . .
H H4N 0.8242(14) 0.5947(19) 0.6975(7) 0.041(5) Uiso d D 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Co N1 . 2_656 113.22(6) ?
N1 Co N3 . . 117.15(4) ?
N1 Co N3 2_656 . 106.14(4) ?
N1 Co N3 . 2_656 106.13(4) ?
N1 Co N3 2_656 2_656 117.15(4) ?
N3 Co N3 . 2_656 96.33(6) ?
C8 O1 C9 . . 112.25(10) ?
C7 N1 C1 . . 105.13(10) ?
C7 N1 Co . . 124.97(9) ?
C1 N1 Co . . 129.90(8) ?
C7 N2 C6 . . 107.67(10) ?
C7 N2 H2N . . 124.2(12) ?
C6 N2 H2N . . 128.2(12) ?
C10 N3 C16 . . 105.33(10) ?
C10 N3 Co . . 122.88(9) ?
C16 N3 Co . . 131.77(8) ?
C10 N4 C11 . . 107.41(11) ?
C10 N4 H4N . . 126.7(13) ?
C11 N4 H4N . . 125.8(13) ?
O2 N5 O3 . . 123.27(13) ?
O2 N5 C17 . . 118.13(14) ?
O3 N5 C17 . . 118.60(13) ?
O5 N6 O4 . . 122.50(13) ?
O5 N6 C19 . . 119.46(12) ?
O4 N6 C19 . . 118.03(12) ?
O7 N7 O8 . . 123.97(14) ?
O7 N7 C21 . . 117.91(13) ?
O8 N7 C21 . . 118.07(12) ?
C2 C1 C6 . . 120.09(12) ?
C2 C1 N1 . . 131.19(11) ?
C6 C1 N1 . . 108.69(11) ?
C3 C2 C1 . . 117.27(12) ?
C3 C2 H2 . . 121.4 ?
C1 C2 H2 . . 121.4 ?
C2 C3 C4 . . 121.95(13) ?
C2 C3 H3 . . 119.0 ?
C4 C3 H3 . . 119.0 ?
C5 C4 C3 . . 121.29(12) ?
C5 C4 H4 . . 119.4 ?
C3 C4 H4 . . 119.4 ?
C4 C5 C6 . . 116.58(12) ?
C4 C5 H5 . . 121.7 ?
C6 C5 H5 . . 121.7 ?
N2 C6 C5 . . 131.51(12) ?
N2 C6 C1 . . 105.68(11) ?
C5 C6 C1 . . 122.80(12) ?
N1 C7 N2 . . 112.80(11) ?
N1 C7 C8 . . 124.00(11) ?
N2 C7 C8 . . 123.12(11) ?
O1 C8 C7 . . 109.64(10) ?
O1 C8 H8A . . 109.7 ?
C7 C8 H8A . . 109.7 ?
O1 C8 H8B . . 109.7 ?
C7 C8 H8B . . 109.7 ?
H8A C8 H8B . . 108.2 ?
O1 C9 C10 . . 106.29(10) ?
O1 C9 H9A . . 110.5 ?
C10 C9 H9A . . 110.5 ?
O1 C9 H9B . . 110.5 ?
C10 C9 H9B . . 110.5 ?
H9A C9 H9B . . 108.7 ?
N3 C10 N4 . . 112.81(11) ?
N3 C10 C9 . . 122.03(11) ?
N4 C10 C9 . . 125.15(11) ?
N4 C11 C12 . . 131.85(13) ?
N4 C11 C16 . . 105.85(12) ?
C12 C11 C16 . . 122.27(13) ?
C13 C12 C11 . . 116.71(15) ?
C13 C12 H12 . . 121.6 ?
C11 C12 H12 . . 121.6 ?
C12 C13 C14 . . 121.49(14) ?
C12 C13 H13 . . 119.3 ?
C14 C13 H13 . . 119.3 ?
C15 C14 C13 . . 121.90(14) ?
C15 C14 H14 . . 119.0 ?
C13 C14 H14 . . 119.0 ?
C14 C15 C16 . . 116.89(14) ?
C14 C15 H15 . . 121.6 ?
C16 C15 H15 . . 121.6 ?
C11 C16 C15 . . 120.73(13) ?
C11 C16 N3 . . 108.58(11) ?
C15 C16 N3 . . 130.67(12) ?
C18 C17 C22 . . 121.11(12) ?
C18 C17 N5 . . 119.33(13) ?
C22 C17 N5 . . 119.56(13) ?
C19 C18 C17 . . 119.49(13) ?
C19 C18 H18 . . 120.3 ?
C17 C18 H18 . . 120.3 ?
C18 C19 C20 . . 123.90(12) ?
C18 C19 N6 . . 115.93(12) ?
C20 C19 N6 . . 120.12(11) ?
O6 C20 C19 . . 125.89(12) ?
O6 C20 C21 . . 122.06(13) ?
C19 C20 C21 . . 111.92(11) ?
C22 C21 C20 . . 124.43(13) ?
C22 C21 N7 . . 116.92(13) ?
C20 C21 N7 . . 118.64(12) ?
C21 C22 C17 . . 119.00(13) ?
C21 C22 H22 . . 120.5 ?
C17 C22 H22 . . 120.5 ?
C24 C23 H23A . . 109.5 ?
C24 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C24 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
N8 C24 C23 . . 178.40(18) ?
C26 C25 H25A . . 109.5 ?
C26 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C26 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
N9 C26 C25 . . 180.000(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co N1 . 2.0355(10) ?
Co N1 2_656 2.0355(10) ?
Co N3 . 2.0367(11) ?
Co N3 2_656 2.0367(11) ?
O1 C8 . 1.4250(15) ?
O1 C9 . 1.4272(16) ?
O2 N5 . 1.2234(19) ?
O3 N5 . 1.2315(18) ?
O4 N6 . 1.2278(17) ?
O5 N6 . 1.2233(16) ?
O6 C20 . 1.2475(16) ?
O7 N7 . 1.2255(17) ?
O8 N7 . 1.2270(17) ?
N1 C7 . 1.3308(16) ?
N1 C1 . 1.4048(16) ?
N2 C7 . 1.3416(16) ?
N2 C6 . 1.3855(16) ?
N2 H2N . 0.858(9) ?
N3 C10 . 1.3247(15) ?
N3 C16 . 1.4004(16) ?
N4 C10 . 1.3404(17) ?
N4 C11 . 1.3840(18) ?
N4 H4N . 0.858(9) ?
N5 C17 . 1.4459(17) ?
N6 C19 . 1.4497(18) ?
N7 C21 . 1.4597(19) ?
N8 C24 . 1.133(2) ?
N9 C26 . 1.121(3) ?
C1 C2 . 1.3956(18) ?
C1 C6 . 1.4013(17) ?
C2 C3 . 1.3850(19) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.405(2) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.380(2) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.3910(18) ?
C5 H5 . 0.9500 ?
C7 C8 . 1.4993(18) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C10 . 1.4849(18) ?
C9 H9A . 0.9900 ?
C9 H9B . 0.9900 ?
C11 C12 . 1.393(2) ?
C11 C16 . 1.3956(19) ?
C12 C13 . 1.375(2) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.405(3) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.381(2) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.3977(19) ?
C15 H15 . 0.9500 ?
C17 C18 . 1.378(2) ?
C17 C22 . 1.388(2) ?
C18 C19 . 1.3756(18) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.4469(19) ?
C20 C21 . 1.4492(19) ?
C21 C22 . 1.368(2) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.450(2) ?
C23 H23A . 0.9800 ?
C23 H23B . 0.9800 ?
C23 H23C . 0.9800 ?
C25 C26 . 1.436(4) ?
C25 H25A . 0.9800 ?
C25 H25B . 0.9800 ?
C25 H25C . 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N2 H2N O6 1_545 0.858(9) 1.893(12) 2.6746(14) 150.7(17)
N2 H2N O5 1_545 0.858(9) 2.381(15) 3.0166(15) 131.3(15)
N4 H4N N8 . 0.858(9) 2.052(10) 2.9040(18) 171.8(18)
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Co N1 C7 2_656 . . . -63.92(10) ?
N3 Co N1 C7 . . . . 60.12(11) ?
N3 Co N1 C7 2_656 . . . 166.22(10) ?
N1 Co N1 C1 2_656 . . . 116.01(11) ?
N3 Co N1 C1 . . . . -119.95(10) ?
N3 Co N1 C1 2_656 . . . -13.86(11) ?
N1 Co N3 C10 . . . . -29.43(11) ?
N1 Co N3 C10 2_656 . . . 98.12(10) ?
N3 Co N3 C10 2_656 . . . -141.21(11) ?
N1 Co N3 C16 . . . . 148.33(10) ?
N1 Co N3 C16 2_656 . . . -84.11(11) ?
N3 Co N3 C16 2_656 . . . 36.55(10) ?
C7 N1 C1 C2 . . . . 177.34(14) ?
Co N1 C1 C2 . . . . -2.6(2) ?
C7 N1 C1 C6 . . . . -0.67(13) ?
Co N1 C1 C6 . . . . 179.40(8) ?
C6 C1 C2 C3 . . . . 0.0(2) ?
N1 C1 C2 C3 . . . . -177.80(13) ?
C1 C2 C3 C4 . . . . -0.6(2) ?
C2 C3 C4 C5 . . . . 0.3(2) ?
C3 C4 C5 C6 . . . . 0.6(2) ?
C7 N2 C6 C5 . . . . -178.36(14) ?
C7 N2 C6 C1 . . . . 0.86(14) ?
C4 C5 C6 N2 . . . . 177.88(13) ?
C4 C5 C6 C1 . . . . -1.2(2) ?
C2 C1 C6 N2 . . . . -178.38(12) ?
N1 C1 C6 N2 . . . . -0.12(13) ?
C2 C1 C6 C5 . . . . 0.92(19) ?
N1 C1 C6 C5 . . . . 179.19(12) ?
C1 N1 C7 N2 . . . . 1.27(14) ?
Co N1 C7 N2 . . . . -178.79(8) ?
C1 N1 C7 C8 . . . . -175.73(12) ?
Co N1 C7 C8 . . . . 4.21(18) ?
C6 N2 C7 N1 . . . . -1.38(15) ?
C6 N2 C7 C8 . . . . 175.65(12) ?
C9 O1 C8 C7 . . . . -77.34(13) ?
N1 C7 C8 O1 . . . . -26.34(18) ?
N2 C7 C8 O1 . . . . 156.97(11) ?
C8 O1 C9 C10 . . . . 153.52(10) ?
C16 N3 C10 N4 . . . . -1.25(14) ?
Co N3 C10 N4 . . . . 177.02(8) ?
C16 N3 C10 C9 . . . . 179.16(11) ?
Co N3 C10 C9 . . . . -2.57(16) ?
C11 N4 C10 N3 . . . . 0.67(15) ?
C11 N4 C10 C9 . . . . -179.76(12) ?
O1 C9 C10 N3 . . . . -38.59(16) ?
O1 C9 C10 N4 . . . . 141.87(12) ?
C10 N4 C11 C12 . . . . 178.52(17) ?
C10 N4 C11 C16 . . . . 0.22(15) ?
N4 C11 C12 C13 . . . . -177.85(17) ?
C16 C11 C12 C13 . . . . 0.2(3) ?
C11 C12 C13 C14 . . . . 0.3(3) ?
C12 C13 C14 C15 . . . . -0.3(3) ?
C13 C14 C15 C16 . . . . -0.3(3) ?
N4 C11 C16 C15 . . . . 177.74(13) ?
C12 C11 C16 C15 . . . . -0.8(2) ?
N4 C11 C16 N3 . . . . -0.97(15) ?
C12 C11 C16 N3 . . . . -179.47(14) ?
C14 C15 C16 C11 . . . . 0.8(2) ?
C14 C15 C16 N3 . . . . 179.14(14) ?
C10 N3 C16 C11 . . . . 1.34(14) ?
Co N3 C16 C11 . . . . -176.71(9) ?
C10 N3 C16 C15 . . . . -177.19(14) ?
Co N3 C16 C15 . . . . 4.8(2) ?
O2 N5 C17 C18 . . . . -172.99(14) ?
O3 N5 C17 C18 . . . . 6.38(19) ?
O2 N5 C17 C22 . . . . 7.5(2) ?
O3 N5 C17 C22 . . . . -173.11(13) ?
C22 C17 C18 C19 . . . . 0.6(2) ?
N5 C17 C18 C19 . . . . -178.90(12) ?
C17 C18 C19 C20 . . . . -0.1(2) ?
C17 C18 C19 N6 . . . . 177.32(12) ?
O5 N6 C19 C18 . . . . 162.30(14) ?
O4 N6 C19 C18 . . . . -19.0(2) ?
O5 N6 C19 C20 . . . . -20.2(2) ?
O4 N6 C19 C20 . . . . 158.52(15) ?
C18 C19 C20 O6 . . . . 173.77(13) ?
N6 C19 C20 O6 . . . . -3.5(2) ?
C18 C19 C20 C21 . . . . -2.18(18) ?
N6 C19 C20 C21 . . . . -179.48(12) ?
O6 C20 C21 C22 . . . . -171.77(14) ?
C19 C20 C21 C22 . . . . 4.36(19) ?
O6 C20 C21 N7 . . . . 7.1(2) ?
C19 C20 C21 N7 . . . . -176.76(12) ?
O7 N7 C21 C22 . . . . -140.26(15) ?
O8 N7 C21 C22 . . . . 37.34(19) ?
O7 N7 C21 C20 . . . . 40.78(19) ?
O8 N7 C21 C20 . . . . -141.62(13) ?
C20 C21 C22 C17 . . . . -4.2(2) ?
N7 C21 C22 C17 . . . . 176.93(12) ?
C18 C17 C22 C21 . . . . 1.5(2) ?
N5 C17 C22 C21 . . . . -179.07(12) ?
