#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/31/2223162.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_2223162
loop_
_publ_author_name
'Zhang, Ji-Bo'
'Qu, Xiao-Shu'
_publ_section_title
;Bis(ethylenediamine-κ²N,N')(nitrato-κ²O,O')cobalt(III)
 hydroxide nitrate
;
_journal_coeditor_code           NG2611
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1099
_journal_page_last               m1100
_journal_paper_doi               10.1107/S160053680903219X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Co (N O3) (C2 H8 N2)2] (O H) (N O3)'
_chemical_formula_moiety         'C4 H17 Co N6 O7 2+, H O -, N O3 -'
_chemical_formula_sum            'C4 H17 Co N6 O7'
_chemical_formula_weight         320.17
_chemical_name_systematic
;
Bis(ethylenediamine-κ²N,N')(nitrato-
κ²O,O')cobalt(III) hydroxide nitrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 118.491(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.5212(13)
_cell_length_b                   23.163(3)
_cell_length_c                   12.6473(13)
_cell_measurement_reflns_used    4566
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.76
_cell_volume                     2451.4(6)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       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  0.0804
_diffrn_reflns_av_sigmaI/netI    0.0616
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13327
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.440
_exptl_absorpt_correction_T_max  0.660
_exptl_absorpt_correction_T_min  0.585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.941
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4801
_refine_ls_number_restraints     156
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0520
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0685P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1114
_refine_ls_wR_factor_ref         0.1164
_reflns_number_gt                3864
_reflns_number_total             4801
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ng2611.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_cell_volume        2451.4(5)
_cod_original_sg_symbol_Hall     '-P 2yn'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2223162
_cod_database_fobs_code          2223162
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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 Co1 0.63400(4) 0.342196(16) 0.24054(3) 0.02089(13) Uani d . 1 . .
Co Co2 0.63022(5) 0.091878(15) 0.34954(3) 0.02108(13) Uani d . 1 . .
O O1 0.6097(3) 0.26004(9) 0.23269(19) 0.0282(5) Uani d . 1 . .
O O2 0.6617(3) 0.31005(8) 0.11093(19) 0.0285(5) Uani d . 1 . .
O O3 0.6478(3) 0.21277(9) 0.0920(2) 0.0383(6) Uani d . 1 . .
O O4 0.7145(2) 0.05508(8) 0.50374(18) 0.0247(4) Uani d . 1 . .
O O5 0.5824(2) 0.01077(8) 0.33416(18) 0.0259(5) Uani d . 1 . .
O O6 0.6690(3) -0.04038(9) 0.5060(2) 0.0349(5) Uani d . 1 . .
O O7 0.3076(11) 0.2225(4) 0.3737(11) 0.078(3) Uani d PDU 0.65 A 1
O O8 0.083(2) 0.2623(16) 0.2871(12) 0.089(9) Uani d PDU 0.30 A 1
O O9 0.207(3) 0.2545(12) 0.4756(10) 0.080(7) Uani d PDU 0.50 A 1
O O10 0.7596(13) 0.5293(3) 0.6156(7) 0.068(2) Uani d PDU 0.80 B 1
O O11 0.6248(9) 0.4956(4) 0.4388(4) 0.0504(18) Uani d PDU 0.75 B 1
O O12 0.737(2) 0.4389(3) 0.5867(12) 0.057(3) Uani d PDU 0.70 B 1
O O7A 0.265(2) 0.2069(7) 0.3600(18) 0.087(7) Uani d PDU 0.35 A 2
O O8A 0.0835(10) 0.2683(6) 0.2866(7) 0.063(3) Uani d PDU 0.70 A 2
O O9A 0.184(2) 0.2457(11) 0.4693(9) 0.061(3) Uani d PDU 0.50 A 2
O O10A 0.795(5) 0.5268(11) 0.616(2) 0.078(10) Uani d PDU 0.20 B 2
O O11A 0.674(3) 0.4977(14) 0.4408(10) 0.065(7) Uani d PDU 0.25 B 2
O O12A 0.768(6) 0.4390(7) 0.582(3) 0.064(10) Uani d PDU 0.30 B 2
N N1 0.6761(3) 0.42325(10) 0.2250(2) 0.0261(5) Uani d . 1 . .
H H1A 0.6611 0.4301 0.1502 0.031 Uiso d R 1 . .
H H1B 0.6077 0.4456 0.2371 0.031 Uiso d R 1 . .
N N2 0.8638(3) 0.33570(11) 0.3456(2) 0.0311(6) Uani d . 1 . .
H H2A 0.8852 0.3339 0.4229 0.037 Uiso d R 1 . .
H H2B 0.9008 0.3033 0.3281 0.037 Uiso d R 1 . .
N N3 0.4046(3) 0.35017(11) 0.1353(2) 0.0292(6) Uani d . 1 . .
H H3A 0.3823 0.3855 0.1017 0.035 Uiso d R 1 . .
H H3B 0.3706 0.3237 0.0762 0.035 Uiso d R 1 . .
N N4 0.5871(3) 0.35552(11) 0.3722(2) 0.0292(6) Uani d . 1 . .
H H4A 0.6075 0.3232 0.4168 0.035 Uiso d R 1 . .
H H4B 0.6502 0.3839 0.4199 0.035 Uiso d R 1 . .
N N5 0.6397(4) 0.25792(13) 0.1409(3) 0.0435(7) Uani d . 1 . .
N N6 0.8303(3) 0.07897(11) 0.3447(2) 0.0293(6) Uani d . 1 . .
H H5A 0.8087 0.0661 0.2714 0.035 Uiso d R 1 . .
H H5B 0.8884 0.0519 0.3991 0.035 Uiso d R 1 . .
N N7 0.7121(3) 0.16859(10) 0.4071(2) 0.0289(6) Uani d . 1 . .
H H6A 0.6870 0.1793 0.4644 0.035 Uiso d R 1 . .
H H6B 0.6684 0.1941 0.3463 0.035 Uiso d R 1 . .
N N8 0.4281(3) 0.10719(11) 0.3472(2) 0.0308(6) Uani d . 1 . .
H H7A 0.4303 0.1423 0.3783 0.037 Uiso d R 1 . .
H H7B 0.4108 0.0807 0.3918 0.037 Uiso d R 1 . .
N N9 0.5185(3) 0.11287(11) 0.1795(2) 0.0302(6) Uani d . 1 . .
H H8A 0.5063 0.0814 0.1343 0.036 Uiso d R 1 . .
H H8B 0.5769 0.1388 0.1641 0.036 Uiso d R 1 . .
N N10 0.6554(3) 0.00506(12) 0.4507(3) 0.0394(7) Uani d . 1 . .
N N11 0.1917(4) 0.24459(12) 0.3766(3) 0.0401(7) Uani d DU 1 . .
N N12 0.7160(3) 0.48825(12) 0.5470(3) 0.0370(7) Uani d DU 1 . .
C C1 0.8423(4) 0.43773(14) 0.3142(4) 0.0423(9) Uani d . 1 . .
H H1C 0.8793 0.4707 0.2871 0.051 Uiso calc R 1 . .
H H1D 0.8484 0.4472 0.3910 0.051 Uiso calc R 1 . .
C C2 0.9419(4) 0.38679(16) 0.3266(4) 0.0518(11) Uani d . 1 . .
H H2C 1.0478 0.3918 0.3945 0.062 Uiso calc R 1 . .
H H2D 0.9524 0.3819 0.2546 0.062 Uiso calc R 1 . .
C C3 0.3235(5) 0.34185(18) 0.2100(4) 0.0482(10) Uani d . 1 . .
H H3C 0.2159 0.3573 0.1686 0.058 Uiso calc R 1 . .
H H3D 0.3170 0.3010 0.2243 0.058 Uiso calc R 1 . .
C C4 0.4164(5) 0.37191(19) 0.3238(4) 0.0502(10) Uani d . 1 . .
H H4C 0.3792 0.3612 0.3803 0.060 Uiso calc R 1 . .
H H4D 0.4041 0.4133 0.3113 0.060 Uiso calc R 1 . .
C C5 0.8883(4) 0.16771(14) 0.4572(3) 0.0376(8) Uani d . 1 . .
H H5C 0.9385 0.1499 0.5362 0.045 Uiso calc R 1 . .
H H5D 0.9290 0.2067 0.4646 0.045 Uiso calc R 1 . .
C C6 0.9235(4) 0.13326(15) 0.3715(3) 0.0400(8) Uani d . 1 . .
H H6C 0.8928 0.1549 0.2981 0.048 Uiso calc R 1 . .
H H6D 1.0368 0.1248 0.4078 0.048 Uiso calc R 1 . .
C C7 0.2979(4) 0.10441(16) 0.2198(3) 0.0405(8) Uani d . 1 . .
H H7C 0.2010 0.1221 0.2118 0.049 Uiso calc R 1 . .
H H7D 0.2751 0.0647 0.1927 0.049 Uiso calc R 1 . .
C C8 0.3603(4) 0.13742(16) 0.1477(3) 0.0409(9) Uani d . 1 . .
H H8C 0.2885 0.1331 0.0622 0.049 Uiso calc R 1 . .
H H8D 0.3697 0.1782 0.1676 0.049 Uiso calc R 1 . .
O O14 -0.0621(4) 0.18855(15) 0.0907(3) 0.0656(9) Uani d . 1 . .
H H14 0.0071 0.2147 0.1342 0.079 Uiso d R 1 . .
O O13 0.9458(4) 0.54280(13) 0.8748(3) 0.0680(9) Uani d . 1 . .
H H13 0.9031 0.5301 0.7909 0.082 Uiso d R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O1 Co1 O2 . . 68.55(8) ?
O1 Co1 N4 . . 97.52(10) ?
O2 Co1 N4 . . 165.82(10) ?
O1 Co1 N1 . . 167.98(10) ?
O2 Co1 N1 . . 99.67(10) ?
N4 Co1 N1 . . 94.35(11) ?
O1 Co1 N2 . . 91.56(10) ?
O2 Co1 N2 . . 89.15(11) ?
N4 Co1 N2 . . 94.04(12) ?
N1 Co1 N2 . . 85.71(10) ?
O1 Co1 N3 . . 89.45(10) ?
O2 Co1 N3 . . 91.12(11) ?
N4 Co1 N3 . . 85.94(11) ?
N1 Co1 N3 . . 93.28(10) ?
N2 Co1 N3 . . 178.98(11) ?
O1 Co1 N5 . . 34.43(10) ?
O2 Co1 N5 . . 34.14(9) ?
N4 Co1 N5 . . 131.93(11) ?
N1 Co1 N5 . . 133.72(11) ?
N2 Co1 N5 . . 89.75(11) ?
N3 Co1 N5 . . 91.02(11) ?
O4 Co2 O5 . . 68.44(8) ?
O4 Co2 N7 . . 97.30(10) ?
O5 Co2 N7 . . 165.56(10) ?
O4 Co2 N8 . . 91.59(10) ?
O5 Co2 N8 . . 89.52(10) ?
N7 Co2 N8 . . 93.24(11) ?
O4 Co2 N9 . . 167.03(10) ?
O5 Co2 N9 . . 98.85(10) ?
N7 Co2 N9 . . 95.50(11) ?
N8 Co2 N9 . . 85.56(11) ?
O4 Co2 N6 . . 91.29(10) ?
O5 Co2 N6 . . 92.00(10) ?
N7 Co2 N6 . . 85.91(11) ?
N8 Co2 N6 . . 177.08(11) ?
N9 Co2 N6 . . 91.74(11) ?
O4 Co2 N10 . . 34.52(9) ?
O5 Co2 N10 . . 33.92(9) ?
N7 Co2 N10 . . 131.79(11) ?
N8 Co2 N10 . . 90.43(10) ?
N9 Co2 N10 . . 132.70(11) ?
N6 Co2 N10 . . 92.22(11) ?
N5 O1 Co1 . . 90.63(17) ?
N5 O2 Co1 . . 90.25(18) ?
N10 O4 Co2 . . 90.18(17) ?
N10 O5 Co2 . . 90.68(17) ?
C1 N1 Co1 . . 109.76(19) ?
C1 N1 H1A . . 109.7 ?
Co1 N1 H1A . . 109.7 ?
C1 N1 H1B . . 109.7 ?
Co1 N1 H1B . . 109.7 ?
H1A N1 H1B . . 108.2 ?
C2 N2 Co1 . . 108.4(2) ?
C2 N2 H2A . . 110.1 ?
Co1 N2 H2A . . 110.0 ?
C2 N2 H2B . . 110.1 ?
Co1 N2 H2B . . 109.9 ?
H2A N2 H2B . . 108.4 ?
C3 N3 Co1 . . 107.8(2) ?
C3 N3 H3A . . 109.9 ?
Co1 N3 H3A . . 110.1 ?
C3 N3 H3B . . 110.4 ?
Co1 N3 H3B . . 110.1 ?
H3A N3 H3B . . 108.4 ?
C4 N4 Co1 . . 109.9(2) ?
C4 N4 H4A . . 109.7 ?
Co1 N4 H4A . . 109.6 ?
C4 N4 H4B . . 109.8 ?
Co1 N4 H4B . . 109.7 ?
H4A N4 H4B . . 108.2 ?
O3 N5 O2 . . 125.2(3) ?
O3 N5 O1 . . 124.2(3) ?
O2 N5 O1 . . 110.5(3) ?
O3 N5 Co1 . . 177.6(3) ?
O2 N5 Co1 . . 55.62(15) ?
O1 N5 Co1 . . 54.94(15) ?
C6 N6 Co2 . . 110.4(2) ?
C6 N6 H5A . . 109.6 ?
Co2 N6 H5A . . 109.6 ?
C6 N6 H5B . . 109.5 ?
Co2 N6 H5B . . 109.6 ?
H5A N6 H5B . . 108.1 ?
C5 N7 Co2 . . 108.56(18) ?
C5 N7 H6A . . 109.9 ?
Co2 N7 H6A . . 110.0 ?
C5 N7 H6B . . 109.9 ?
Co2 N7 H6B . . 110.0 ?
H6A N7 H6B . . 108.3 ?
C7 N8 Co2 . . 108.4(2) ?
C7 N8 H7A . . 110.2 ?
Co2 N8 H7A . . 110.0 ?
C7 N8 H7B . . 109.9 ?
Co2 N8 H7B . . 110.0 ?
H7A N8 H7B . . 108.3 ?
C8 N9 Co2 . . 110.2(2) ?
C8 N9 H8A . . 109.5 ?
Co2 N9 H8A . . 109.6 ?
C8 N9 H8B . . 109.8 ?
Co2 N9 H8B . . 109.6 ?
H8A N9 H8B . . 108.1 ?
O6 N10 O5 . . 125.6(3) ?
O6 N10 O4 . . 123.7(3) ?
O5 N10 O4 . . 110.7(3) ?
O6 N10 Co2 . . 178.9(2) ?
O5 N10 Co2 . . 55.40(14) ?
O4 N10 Co2 . . 55.30(14) ?
O8 N11 O7A . . 113.6(18) ?
O8 N11 O9A . . 119.3(15) ?
O7A N11 O9A . . 119.8(9) ?
O8 N11 O9 . . 122.8(9) ?
O7A N11 O9 . . 121.8(17) ?
O9A N11 O9 . . 13(3) ?
O8 N11 O7 . . 120.0(9) ?
O7A N11 O7 . . 24.0(14) ?
O9A N11 O7 . . 120.6(12) ?
O9 N11 O7 . . 116.3(8) ?
O8 N11 O8A . . 6(3) ?
O7A N11 O8A . . 117.4(9) ?
O9A N11 O8A . . 118.1(7) ?
O9 N11 O8A . . 120.1(12) ?
O7 N11 O8A . . 121.3(8) ?
O10 N12 O10A . . 16(3) ?
O10 N12 O11A . . 117.6(18) ?
O10A N12 O11A . . 115.0(12) ?
O10 N12 O12 . . 120.2(6) ?
O10A N12 O12 . . 118(2) ?
O11A N12 O12 . . 121(2) ?
O10 N12 O11 . . 120.2(5) ?
O10A N12 O11 . . 124.0(19) ?
O11A N12 O11 . . 21.7(13) ?
O12 N12 O11 . . 118.3(6) ?
O10 N12 O12A . . 121.6(19) ?
O10A N12 O12A . . 114.5(12) ?
O11A N12 O12A . . 114.9(12) ?
O12 N12 O12A . . 15(3) ?
O11 N12 O12A . . 118.1(19) ?
C2 C1 N1 . . 107.4(3) ?
C2 C1 H1C . . 110.2 ?
N1 C1 H1C . . 110.2 ?
C2 C1 H1D . . 110.2 ?
N1 C1 H1D . . 110.2 ?
H1C C1 H1D . . 108.5 ?
C1 C2 N2 . . 108.1(3) ?
C1 C2 H2C . . 110.1 ?
N2 C2 H2C . . 110.1 ?
C1 C2 H2D . . 110.1 ?
N2 C2 H2D . . 110.1 ?
H2C C2 H2D . . 108.4 ?
C4 C3 N3 . . 108.1(3) ?
C4 C3 H3C . . 110.1 ?
N3 C3 H3C . . 110.1 ?
C4 C3 H3D . . 110.1 ?
N3 C3 H3D . . 110.1 ?
H3C C3 H3D . . 108.4 ?
C3 C4 N4 . . 108.3(3) ?
C3 C4 H4C . . 110.0 ?
N4 C4 H4C . . 110.0 ?
C3 C4 H4D . . 110.0 ?
N4 C4 H4D . . 110.0 ?
H4C C4 H4D . . 108.4 ?
N7 C5 C6 . . 107.1(3) ?
N7 C5 H5C . . 110.3 ?
C6 C5 H5C . . 110.3 ?
N7 C5 H5D . . 110.3 ?
C6 C5 H5D . . 110.3 ?
H5C C5 H5D . . 108.5 ?
N6 C6 C5 . . 107.4(3) ?
N6 C6 H6C . . 110.2 ?
C5 C6 H6C . . 110.2 ?
N6 C6 H6D . . 110.2 ?
C5 C6 H6D . . 110.2 ?
H6C C6 H6D . . 108.5 ?
N8 C7 C8 . . 105.4(3) ?
N8 C7 H7C . . 110.7 ?
C8 C7 H7C . . 110.7 ?
N8 C7 H7D . . 110.7 ?
C8 C7 H7D . . 110.7 ?
H7C C7 H7D . . 108.8 ?
N9 C8 C7 . . 106.5(3) ?
N9 C8 H8C . . 110.4 ?
C7 C8 H8C . . 110.4 ?
N9 C8 H8D . . 110.4 ?
C7 C8 H8D . . 110.4 ?
H8C C8 H8D . . 108.6 ?
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
Co1 O1 . 1.914(2) ?
Co1 O2 . 1.930(2) ?
Co1 N4 . 1.944(3) ?
Co1 N1 . 1.949(2) ?
Co1 N2 . 1.950(3) ?
Co1 N3 . 1.950(3) ?
Co1 N5 . 2.338(3) ?
Co2 O4 . 1.919(2) ?
Co2 O5 . 1.921(2) ?
Co2 N7 . 1.937(2) ?
Co2 N8 . 1.943(3) ?
Co2 N9 . 1.952(3) ?
Co2 N6 . 1.958(3) ?
Co2 N10 . 2.334(3) ?
O1 N5 . 1.322(4) ?
O2 N5 . 1.312(3) ?
O3 N5 . 1.236(4) ?
O4 N10 . 1.323(3) ?
O5 N10 . 1.302(3) ?
O6 N10 . 1.236(4) ?
O7 N11 . 1.233(6) ?
O8 N11 . 1.183(8) ?
O9 N11 . 1.212(8) ?
O10 N12 . 1.219(5) ?
O11 N12 . 1.233(5) ?
O12 N12 . 1.227(6) ?
O7A N11 . 1.199(8) ?
O8A N11 . 1.241(5) ?
O9A N11 . 1.210(7) ?
O10A N12 . 1.225(9) ?
O11A N12 . 1.226(9) ?
O12A N12 . 1.236(10) ?
N1 C1 . 1.479(4) ?
N1 H1A . 0.9000 ?
N1 H1B . 0.9000 ?
N2 C2 . 1.476(4) ?
N2 H2A . 0.8999 ?
N2 H2B . 0.8996 ?
N3 C3 . 1.489(5) ?
N3 H3A . 0.8998 ?
N3 H3B . 0.8999 ?
N4 C4 . 1.487(4) ?
N4 H4A . 0.9000 ?
N4 H4B . 0.9001 ?
N6 C6 . 1.482(4) ?
N6 H5A . 0.9000 ?
N6 H5B . 0.9001 ?
N7 C5 . 1.484(4) ?
N7 H6A . 0.9002 ?
N7 H6B . 0.9004 ?
N8 C7 . 1.494(4) ?
N8 H7A . 0.9000 ?
N8 H7B . 0.9000 ?
N9 C8 . 1.475(4) ?
N9 H8A . 0.8999 ?
N9 H8B . 0.9001 ?
C1 C2 . 1.474(5) ?
C1 H1C . 0.9700 ?
C1 H1D . 0.9700 ?
C2 H2C . 0.9700 ?
C2 H2D . 0.9700 ?
C3 C4 . 1.458(6) ?
C3 H3C . 0.9700 ?
C3 H3D . 0.9700 ?
C4 H4C . 0.9700 ?
C4 H4D . 0.9700 ?
C5 C6 . 1.507(5) ?
C5 H5C . 0.9700 ?
C5 H5D . 0.9700 ?
C6 H6C . 0.9700 ?
C6 H6D . 0.9700 ?
C7 C8 . 1.512(5) ?
C7 H7C . 0.9700 ?
C7 H7D . 0.9700 ?
C8 H8C . 0.9700 ?
C8 H8D . 0.9700 ?
O14 H14 . 0.8708 ?
O13 H13 . 0.9823 ?
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
O13 H13 O10 . 0.98 1.97 2.906(8) 157.6
O14 H14 O8 . 0.87 2.04 2.78(3) 142.9
N1 H1A O4 4_565 0.90 2.17 3.032(3) 160.1
N1 H1B O5 2_655 0.90 2.19 2.995(3) 148.0
N2 H2A O14 4_666 0.90 2.00 2.888(4) 167.5
N2 H2B O8 1_655 0.90 2.25 3.045(19) 147.7
N3 H3A O6 2_655 0.90 2.10 2.986(3) 168.5
N3 H3B O9 4_565 0.90 2.33 3.14(2) 149.9
N3 H3B O7 4_565 0.90 2.57 3.424(12) 158.9
N4 H4A O3 4_566 0.90 2.22 3.004(3) 145.0
N4 H4B O11 . 0.90 2.62 3.328(10) 136.1
N4 H4B O12 . 0.90 2.26 3.071(14) 150.2
N6 H5A O12 4_565 0.90 2.10 2.973(14) 163.2
N6 H5B O13 4_565 0.90 2.32 2.985(4) 131.0
N6 H5B O13 2_746 0.90 2.53 3.258(4) 138.3
N7 H6A O2 4_566 0.90 1.99 2.881(3) 168.1
N7 H6B O1 . 0.90 1.98 2.873(3) 168.6
N8 H7A O7 . 0.90 2.18 2.988(7) 149.1
N8 H7B O6 3_656 0.90 2.01 2.887(3) 162.9
N9 H8A O11 2_645 0.90 2.29 3.088(9) 147.1
N9 H8A O12 4_565 0.90 2.58 3.08(2) 115.3
N9 H8B O3 . 0.90 2.19 3.065(3) 162.8
