#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/30/8103023.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_8103023
loop_
_publ_author_name
'Feng-Mei Nie'
'Zhi-Yun Dong'
_publ_section_title
;
 Crystal structure of (picolinato-N,O)[tris(2-aminoethyl)amine-N,N',
 N'',N''']cobalt(III) diperchlorate, [Co(C6H18N4)(C6H4O2N)][ClO4]2
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              493
_journal_volume                  223
_journal_year                    2008
_chemical_formula_moiety         'C12 H22 Cl2 Co N5 O10'
_chemical_formula_sum            'C12 H22 Cl2 Co N5 O10'
_chemical_formula_weight         526.18
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9199(16)
_cell_length_b                   11.5088(16)
_cell_length_c                   16.173(2)
_cell_measurement_reflns_used    4080
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      24.63
_cell_measurement_theta_min      2.52
_cell_volume                     2032.5(5)
_computing_cell_refinement       'Bruker SMART CCD'
_computing_data_collection       'Bruker SMART CCD'
_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, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0333
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10488
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    1.169
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.740793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.262
_refine_diff_density_min         -0.237
_refine_diff_density_rms         0.047
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.001(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         3577
_refine_ls_number_restraints     129
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0285
_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)+(0.0405P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0704
_reflns_number_gt                3110
_reflns_number_total             3577
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            673840.cff
_cod_data_source_block           '[Co(tren)(pic)](ClO~4)~2'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' 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_original_cell_volume        2032.6(5)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               8103023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.16858(4) 0.30756(3) 0.22887(3) 0.02535(12) Uani 1 1 d . . .
O1 O 0.05604(19) 0.17899(17) 0.23758(14) 0.0334(5) Uani 1 1 d . . .
O2 O -0.1297(2) 0.1208(2) 0.19461(16) 0.0425(6) Uani 1 1 d . . .
N1 N 0.2523(3) 0.2187(2) 0.14101(17) 0.0349(7) Uani 1 1 d . . .
H1A H 0.1972 0.1755 0.1133 0.042 Uiso 1 1 calc R . .
H1B H 0.2873 0.2682 0.1050 0.042 Uiso 1 1 calc R . .
N2 N 0.2820(2) 0.4396(2) 0.2238(2) 0.0367(7) Uani 1 1 d . . .
H2A H 0.3258 0.4361 0.1767 0.044 Uiso 1 1 calc R . .
H2B H 0.2394 0.5065 0.2237 0.044 Uiso 1 1 calc R . .
N3 N 0.0864(3) 0.3742(2) 0.32684(16) 0.0336(7) Uani 1 1 d . . .
H3A H 0.0915 0.4523 0.3250 0.040 Uiso 1 1 calc R . .
H3B H 0.0066 0.3546 0.3262 0.040 Uiso 1 1 calc R . .
N4 N 0.2833(3) 0.2370(3) 0.30547(18) 0.0389(8) Uani 1 1 d . . .
N5 N 0.0505(3) 0.3687(2) 0.15004(17) 0.0295(6) Uani 1 1 d . . .
C1 C 0.3492(4) 0.1405(4) 0.1779(2) 0.0518(11) Uani 1 1 d . . .
H1C H 0.4291 0.1767 0.1731 0.062 Uiso 1 1 calc R . .
H1D H 0.3512 0.0670 0.1485 0.062 Uiso 1 1 calc R . .
C2 C 0.3181(4) 0.1203(3) 0.2685(2) 0.0489(9) Uani 1 1 d . . .
H2C H 0.2504 0.0661 0.2734 0.059 Uiso 1 1 calc R . .
H2D H 0.3882 0.0881 0.2974 0.059 Uiso 1 1 calc R . .
C3 C 0.3934(4) 0.3127(4) 0.3170(3) 0.0556(11) Uani 1 1 d . . .
H3C H 0.4593 0.2849 0.2820 0.067 Uiso 1 1 calc R . .
H3D H 0.4206 0.3079 0.3740 0.067 Uiso 1 1 calc R . .
C4 C 0.3658(4) 0.4370(4) 0.2960(3) 0.0603(12) Uani 1 1 d . . .
H4A H 0.3277 0.4751 0.3428 0.072 Uiso 1 1 calc R . .
H4B H 0.4411 0.4778 0.2829 0.072 Uiso 1 1 calc R . .
C5 C 0.1437(4) 0.3313(4) 0.4048(2) 0.0506(11) Uani 1 1 d . . .
H5A H 0.0810 0.3163 0.4460 0.061 Uiso 1 1 calc R . .
H5B H 0.1995 0.3892 0.4267 0.061 Uiso 1 1 calc R . .
C6 C 0.2130(4) 0.2194(3) 0.3851(2) 0.0506(11) Uani 1 1 d . . .
H6A H 0.2691 0.2010 0.4297 0.061 Uiso 1 1 calc R . .
H6B H 0.1559 0.1555 0.3790 0.061 Uiso 1 1 calc R . .
C7 C -0.0458(3) 0.1916(3) 0.1964(2) 0.0316(7) Uani 1 1 d . . .
C8 C -0.0525(3) 0.3030(3) 0.14583(19) 0.0297(7) Uani 1 1 d . . .
C9 C -0.1513(3) 0.3327(3) 0.0955(2) 0.0385(9) Uani 1 1 d . . .
H9 H -0.2224 0.2881 0.0952 0.046 Uiso 1 1 calc R . .
C10 C -0.1409(4) 0.4306(3) 0.0458(2) 0.0453(10) Uani 1 1 d . . .
H10 H -0.2053 0.4535 0.0119 0.054 Uiso 1 1 calc R . .
C11 C -0.0326(4) 0.4939(3) 0.0478(2) 0.0443(10) Uani 1 1 d . . .
H11 H -0.0229 0.5576 0.0131 0.053 Uiso 1 1 calc R . .
O3 O 0.3721(2) 0.4048(3) 0.0289(2) 0.0724(9) Uani 1 1 d DU A .
O4 O 0.5444(10) 0.4686(11) 0.1029(6) 0.136(5) Uani 0.520(9) 1 d PDU A 1
O5 O 0.5519(5) 0.4405(7) -0.0417(4) 0.073(3) Uani 0.520(9) 1 d PDU A 1
O6 O 0.5436(8) 0.2832(6) 0.0451(7) 0.105(3) Uani 0.520(9) 1 d PDU A 1
O4' O 0.5261(7) 0.3938(8) 0.1266(4) 0.071(3) Uani 0.480(9) 1 d PDU A 2
O5' O 0.5472(7) 0.5280(6) 0.0251(7) 0.102(4) Uani 0.480(9) 1 d PDU A 2
O6' O 0.5693(7) 0.3282(10) -0.0057(6) 0.099(4) Uani 0.480(9) 1 d PDU A 2
C12 C 0.0597(3) 0.4630(3) 0.1004(2) 0.0397(9) Uani 1 1 d . . .
H12 H 0.1305 0.5078 0.1022 0.048 Uiso 1 1 calc R . .
Cl1 Cl 0.50300(9) 0.40835(10) 0.03764(7) 0.0553(3) Uani 1 1 d D . .
Cl2 Cl 0.75846(8) 0.71898(8) 0.86569(6) 0.0441(2) Uani 1 1 d D . .
O8 O 0.760(4) 0.6526(19) 0.7905(10) 0.086(10) Uani 0.17(2) 1 d PDU B 3
O9 O 0.6383(13) 0.749(2) 0.892(2) 0.070(9) Uani 0.17(2) 1 d PDU B 3
O7 O 0.816(3) 0.648(2) 0.9289(14) 0.041(8) Uani 0.17(2) 1 d PDU B 3
O10 O 0.829(2) 0.8230(16) 0.8535(19) 0.060(8) Uani 0.17(2) 1 d PDU B 3
O8' O 0.6958(7) 0.6456(4) 0.8080(3) 0.065(2) Uani 0.83(2) 1 d PDU B 4
O9' O 0.6663(7) 0.7717(6) 0.9182(4) 0.088(2) Uani 0.83(2) 1 d PDU B 4
O7' O 0.8421(7) 0.6525(6) 0.9150(5) 0.0574(19) Uani 0.83(2) 1 d PDU B 4
O10' O 0.8247(6) 0.8071(6) 0.8224(6) 0.088(2) Uani 0.83(2) 1 d PDU B 4
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
O1 Co1 N4 92.49(11) . . ?
O1 Co1 N5 84.43(11) . . ?
N4 Co1 N5 176.45(13) . . ?
O1 Co1 N2 178.14(12) . . ?
N4 Co1 N2 86.76(13) . . ?
N5 Co1 N2 96.37(12) . . ?
O1 Co1 N1 87.15(11) . . ?
N4 Co1 N1 86.78(11) . . ?
N5 Co1 N1 91.30(12) . . ?
N2 Co1 N1 94.50(12) . . ?
O1 Co1 N3 87.13(11) . . ?
N4 Co1 N3 86.78(12) . . ?
N5 Co1 N3 94.81(11) . . ?
N2 Co1 N3 91.13(12) . . ?
N1 Co1 N3 171.19(12) . . ?
C7 O1 Co1 114.9(2) . . ?
C1 N1 Co1 110.4(2) . . ?
C1 N1 H1A 109.6 . . ?
Co1 N1 H1A 109.6 . . ?
C1 N1 H1B 109.6 . . ?
Co1 N1 H1B 109.6 . . ?
H1A N1 H1B 108.1 . . ?
C4 N2 Co1 109.9(2) . . ?
C4 N2 H2A 109.7 . . ?
Co1 N2 H2A 109.7 . . ?
C4 N2 H2B 109.7 . . ?
Co1 N2 H2B 109.7 . . ?
H2A N2 H2B 108.2 . . ?
C5 N3 Co1 111.0(2) . . ?
C5 N3 H3A 109.4 . . ?
Co1 N3 H3A 109.4 . . ?
C5 N3 H3B 109.4 . . ?
Co1 N3 H3B 109.4 . . ?
H3A N3 H3B 108.0 . . ?
C3 N4 C6 112.3(3) . . ?
C3 N4 C2 111.3(3) . . ?
C6 N4 C2 110.1(3) . . ?
C3 N4 Co1 110.7(2) . . ?
C6 N4 Co1 105.8(2) . . ?
C2 N4 Co1 106.3(2) . . ?
C12 N5 C8 118.6(3) . . ?
C12 N5 Co1 129.0(2) . . ?
C8 N5 Co1 112.4(2) . . ?
N1 C1 C2 108.4(3) . . ?
N1 C1 H1C 110.0 . . ?
C2 C1 H1C 110.0 . . ?
N1 C1 H1D 110.0 . . ?
C2 C1 H1D 110.0 . . ?
H1C C1 H1D 108.4 . . ?
N4 C2 C1 107.4(3) . . ?
N4 C2 H2C 110.2 . . ?
C1 C2 H2C 110.2 . . ?
N4 C2 H2D 110.2 . . ?
C1 C2 H2D 110.2 . . ?
H2C C2 H2D 108.5 . . ?
N4 C3 C4 111.4(3) . . ?
N4 C3 H3C 109.3 . . ?
C4 C3 H3C 109.3 . . ?
N4 C3 H3D 109.3 . . ?
C4 C3 H3D 109.3 . . ?
H3C C3 H3D 108.0 . . ?
N2 C4 C3 108.7(3) . . ?
N2 C4 H4A 109.9 . . ?
C3 C4 H4A 109.9 . . ?
N2 C4 H4B 109.9 . . ?
C3 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
N3 C5 C6 108.1(3) . . ?
N3 C5 H5A 110.1 . . ?
C6 C5 H5A 110.1 . . ?
N3 C5 H5B 110.1 . . ?
C6 C5 H5B 110.1 . . ?
H5A C5 H5B 108.4 . . ?
N4 C6 C5 108.5(3) . . ?
N4 C6 H6A 110.0 . . ?
C5 C6 H6A 110.0 . . ?
N4 C6 H6B 110.0 . . ?
C5 C6 H6B 110.0 . . ?
H6A C6 H6B 108.4 . . ?
O2 C7 O1 125.1(3) . . ?
O2 C7 C8 120.7(3) . . ?
O1 C7 C8 114.2(3) . . ?
N5 C8 C9 122.3(3) . . ?
N5 C8 C7 113.7(3) . . ?
C9 C8 C7 123.9(3) . . ?
C10 C9 C8 118.3(3) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
C11 C10 C9 118.8(3) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C12 C11 C10 120.4(4) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
N5 C12 C11 121.6(3) . . ?
N5 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
O4 Cl1 O6' 125.0(6) . . ?
O4 Cl1 O3 115.3(5) . . ?
O6' Cl1 O3 117.2(4) . . ?
O4 Cl1 O5 116.4(6) . . ?
O6' Cl1 O5 61.3(5) . . ?
O3 Cl1 O5 106.8(3) . . ?
O4 Cl1 O5' 61.0(6) . . ?
O6' Cl1 O5' 112.8(6) . . ?
O3 Cl1 O5' 109.8(4) . . ?
O5 Cl1 O5' 61.0(5) . . ?
O4 Cl1 O4' 39.7(5) . . ?
O6' Cl1 O4' 109.5(6) . . ?
O3 Cl1 O4' 105.3(3) . . ?
O5 Cl1 O4' 147.0(4) . . ?
O5' Cl1 O4' 100.6(5) . . ?
O4 Cl1 O6 109.3(6) . . ?
O6' Cl1 O6 40.7(4) . . ?
O3 Cl1 O6 105.8(4) . . ?
O5 Cl1 O6 102.0(5) . . ?
O5' Cl1 O6 143.7(5) . . ?
O4' Cl1 O6 76.3(5) . . ?
O9 Cl2 O10' 116.2(12) . . ?
O9 Cl2 O8' 84.1(12) . . ?
O10' Cl2 O8' 110.0(4) . . ?
O9 Cl2 O10 109.5(12) . . ?
O10' Cl2 O10 21.6(11) . . ?
O8' Cl2 O10 131.1(12) . . ?
O9 Cl2 O7' 123.4(13) . . ?
O10' Cl2 O7' 109.2(4) . . ?
O8' Cl2 O7' 110.6(4) . . ?
O10 Cl2 O7' 100.4(14) . . ?
O9 Cl2 O8 113.3(11) . . ?
O10' Cl2 O8 87.4(12) . . ?
O8' Cl2 O8 30.9(15) . . ?
O10 Cl2 O8 108.6(12) . . ?
O7' Cl2 O8 100.3(12) . . ?
O9 Cl2 O7 108.9(12) . . ?
O10' Cl2 O7 121.6(15) . . ?
O8' Cl2 O7 109.6(13) . . ?
O10 Cl2 O7 109.4(13) . . ?
O7' Cl2 O7 14.6(15) . . ?
O8 Cl2 O7 107.1(12) . . ?
O9 Cl2 O9' 23.5(12) . . ?
O10' Cl2 O9' 109.9(4) . . ?
O8' Cl2 O9' 107.3(3) . . ?
O10 Cl2 O9' 95.9(12) . . ?
O7' Cl2 O9' 109.8(4) . . ?
O8 Cl2 O9' 136.8(14) . . ?
O7 Cl2 O9' 97.0(13) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 1.929(2) . ?
Co1 N4 1.940(3) . ?
Co1 N5 1.945(3) . ?
Co1 N2 1.962(3) . ?
Co1 N1 1.975(3) . ?
Co1 N3 1.976(3) . ?
O1 C7 1.305(4) . ?
O2 C7 1.226(4) . ?
N1 C1 1.511(5) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
N2 C4 1.484(5) . ?
N2 H2A 0.9000 . ?
N2 H2B 0.9000 . ?
N3 C5 1.492(5) . ?
N3 H3A 0.9000 . ?
N3 H3B 0.9000 . ?
N4 C3 1.497(5) . ?
N4 C6 1.512(5) . ?
N4 C2 1.518(4) . ?
N5 C12 1.353(4) . ?
N5 C8 1.357(4) . ?
C1 C2 1.523(5) . ?
C1 H1C 0.9700 . ?
C1 H1D 0.9700 . ?
C2 H2C 0.9700 . ?
C2 H2D 0.9700 . ?
C3 C4 1.500(6) . ?
C3 H3C 0.9700 . ?
C3 H3D 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.527(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.522(5) . ?
C8 C9 1.394(5) . ?
C9 C10 1.389(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.390(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.366(5) . ?
C11 H11 0.9300 . ?
O3 Cl1 1.438(3) . ?
O4 Cl1 1.342(6) . ?
O5 Cl1 1.438(5) . ?
O6 Cl1 1.512(7) . ?
O4' Cl1 1.470(6) . ?
O5' Cl1 1.474(6) . ?
O6' Cl1 1.365(6) . ?
C12 H12 0.9300 . ?
Cl2 O9 1.421(10) . ?
Cl2 O10' 1.429(4) . ?
Cl2 O8' 1.432(4) . ?
Cl2 O10 1.436(10) . ?
Cl2 O7' 1.434(4) . ?
Cl2 O8 1.436(10) . ?
Cl2 O7 1.449(10) . ?
Cl2 O9' 1.450(4) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Co1 O1 C7 176.7(2) . . . . ?
N5 Co1 O1 C7 -5.1(2) . . . . ?
N2 Co1 O1 C7 111(3) . . . . ?
N1 Co1 O1 C7 -96.7(2) . . . . ?
N3 Co1 O1 C7 90.0(2) . . . . ?
O1 Co1 N1 C1 -88.6(2) . . . . ?
N4 Co1 N1 C1 4.0(2) . . . . ?
N5 Co1 N1 C1 -173.0(3) . . . . ?
N2 Co1 N1 C1 90.5(3) . . . . ?
N3 Co1 N1 C1 -39.0(9) . . . . ?
O1 Co1 N2 C4 48(3) . . . . ?
N4 Co1 N2 C4 -18.5(2) . . . . ?
N5 Co1 N2 C4 163.1(2) . . . . ?
N1 Co1 N2 C4 -105.1(2) . . . . ?
N3 Co1 N2 C4 68.2(2) . . . . ?
O1 Co1 N3 C5 88.1(2) . . . . ?
N4 Co1 N3 C5 -4.6(2) . . . . ?
N5 Co1 N3 C5 172.3(2) . . . . ?
N2 Co1 N3 C5 -91.3(3) . . . . ?
N1 Co1 N3 C5 38.4(9) . . . . ?
O1 Co1 N4 C3 179.4(2) . . . . ?
N5 Co1 N4 C3 149.7(19) . . . . ?
N2 Co1 N4 C3 -2.3(3) . . . . ?
N1 Co1 N4 C3 92.4(3) . . . . ?
N3 Co1 N4 C3 -93.6(3) . . . . ?
O1 Co1 N4 C6 -58.7(2) . . . . ?
N5 Co1 N4 C6 -88(2) . . . . ?
N2 Co1 N4 C6 119.6(2) . . . . ?
N1 Co1 N4 C6 -145.7(2) . . . . ?
N3 Co1 N4 C6 28.3(2) . . . . ?
O1 Co1 N4 C2 58.4(2) . . . . ?
N5 Co1 N4 C2 29(2) . . . . ?
N2 Co1 N4 C2 -123.3(2) . . . . ?
N1 Co1 N4 C2 -28.6(2) . . . . ?
N3 Co1 N4 C2 145.4(2) . . . . ?
O1 Co1 N5 C12 -172.6(3) . . . . ?
N4 Co1 N5 C12 -143(2) . . . . ?
N2 Co1 N5 C12 9.1(3) . . . . ?
N1 Co1 N5 C12 -85.6(3) . . . . ?
N3 Co1 N5 C12 100.8(3) . . . . ?
O1 Co1 N5 C8 6.1(2) . . . . ?
N4 Co1 N5 C8 36(2) . . . . ?
N2 Co1 N5 C8 -172.2(2) . . . . ?
N1 Co1 N5 C8 93.1(2) . . . . ?
N3 Co1 N5 C8 -80.5(2) . . . . ?
Co1 N1 C1 C2 21.7(4) . . . . ?
C3 N4 C2 C1 -73.2(4) . . . . ?
C6 N4 C2 C1 161.6(3) . . . . ?
Co1 N4 C2 C1 47.5(4) . . . . ?
N1 C1 C2 N4 -45.0(4) . . . . ?
C6 N4 C3 C4 -95.3(4) . . . . ?
C2 N4 C3 C4 140.7(4) . . . . ?
Co1 N4 C3 C4 22.7(4) . . . . ?
Co1 N2 C4 C3 34.9(4) . . . . ?
N4 C3 C4 N2 -37.5(5) . . . . ?
Co1 N3 C5 C6 -20.4(4) . . . . ?
C3 N4 C6 C5 74.2(4) . . . . ?
C2 N4 C6 C5 -161.2(3) . . . . ?
Co1 N4 C6 C5 -46.7(3) . . . . ?
N3 C5 C6 N4 43.9(4) . . . . ?
Co1 O1 C7 O2 -179.0(3) . . . . ?
Co1 O1 C7 C8 3.0(3) . . . . ?
C12 N5 C8 C9 -3.4(5) . . . . ?
Co1 N5 C8 C9 177.7(2) . . . . ?
C12 N5 C8 C7 172.8(3) . . . . ?
Co1 N5 C8 C7 -6.0(3) . . . . ?
O2 C7 C8 N5 -176.0(3) . . . . ?
O1 C7 C8 N5 2.1(4) . . . . ?
O2 C7 C8 C9 0.2(5) . . . . ?
O1 C7 C8 C9 178.3(3) . . . . ?
N5 C8 C9 C10 2.6(5) . . . . ?
C7 C8 C9 C10 -173.3(3) . . . . ?
C8 C9 C10 C11 0.6(5) . . . . ?
C9 C10 C11 C12 -2.9(6) . . . . ?
C8 N5 C12 C11 1.1(5) . . . . ?
Co1 N5 C12 C11 179.7(3) . . . . ?
C10 C11 C12 N5 2.1(6) . . . . ?
