##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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# This file may be used for bona fide research purposes within the           #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Tris[2-(1H-imidazol-2-yl)imidazol-1-ido]cobalt(III)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C18 H15 Co N12'
_chemical_formula_sum     'C18 H15 Co N12'
_chemical_formula_iupac     '[Co (C6 H5 N4)3]'
_chemical_formula_weight     458.35
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     12.299(3)
_cell_length_b     12.524(3)
_cell_length_c     12.932(3)
_cell_angle_alpha     90.00
_cell_angle_beta     97.773(4)
_cell_angle_gamma     90.00
_cell_volume     1973.6(8)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     10212
_cell_measurement_theta_min     2.259
_cell_measurement_theta_max     20.45
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     red
_exptl_crystal_size_max     0.5
_exptl_crystal_size_mid     0.4
_exptl_crystal_size_min     0.3
_exptl_crystal_density_diffrn     1.543
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     936
_exptl_absorpt_coefficient_mu     0.904
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.654
_exptl_absorpt_correction_T_max     0.762
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART CCD'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10212
_diffrn_reflns_av_R_equivalents     0.0458
_diffrn_reflns_av_sigmaI/netI     0.0679
_diffrn_reflns_theta_min     2.14
_diffrn_reflns_theta_max     25.70
_diffrn_reflns_theta_full     25.70
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.994
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     15
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     13
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors
based on F² are statistically about twice as large as those based on
F, and R- factors based on ALL data will be even larger.
;
_reflns_number_total     3728
_reflns_number_gt     2358
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0749
_refine_ls_R_factor_gt     0.0411
_refine_ls_wR_factor_gt     0.1034
_refine_ls_wR_factor_ref     0.1383
_refine_ls_goodness_of_fit_ref     0.979
_refine_ls_restrained_S_all     0.979
_refine_ls_number_reflns     3728
_refine_ls_number_parameters     280
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0798P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.481
_refine_diff_density_min     -0.491
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'Co' 'Co' 0.3494 0.9721
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2000)'
_computing_cell_refinement     'SAINT (Bruker, 2000)'
_computing_data_reduction     'SAINT (Bruker, 2000)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
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 0.14643(4) 0.83171(4) 0.84581(4) 0.03246(19) Uani d . 1 . .
    N N1 0.1905(2) 0.8669(2) 0.7123(2) 0.0325(7) Uani d . 1 . .
    N N2 0.0080(2) 0.8920(2) 0.7814(2) 0.0348(7) Uani d . 1 . .
    N N3 0.2012(2) 0.9650(2) 0.9055(2) 0.0324(7) Uani d . 1 . .
    N N4 0.2936(2) 0.7858(2) 0.8922(2) 0.0344(7) Uani d . 1 . .
    N N5 0.1019(2) 0.7861(2) 0.9773(2) 0.0348(8) Uani d . 1 . .
    N N6 0.0917(2) 0.6922(2) 0.8032(3) 0.0365(8) Uani d . 1 . .
    C C5 0.2563(3) 0.9108(3) 0.5682(3) 0.0400(10) Uani d . 1 . .
    H H2 0.3051 0.9191 0.5197 0.048 Uiso calc R 1 . .
    C C6 0.2817(3) 0.8656(3) 0.6656(3) 0.0396(10) Uani d . 1 . .
    H H1 0.3498 0.8388 0.6939 0.048 Uiso calc R 1 . .
    N N12 0.1482(2) 0.9419(2) 0.5534(2) 0.0360(8) Uani d . 1 . .
    C C4 0.1135(3) 0.9131(3) 0.6429(3) 0.0308(8) Uani d . 1 . .
    C C3 0.0105(3) 0.9241(3) 0.6834(3) 0.0343(9) Uani d . 1 . .
    N N11 -0.0888(2) 0.9582(2) 0.6405(3) 0.0433(9) Uani d . 1 . .
    H H6 -0.1059 0.9829 0.5783 0.052 Uiso calc R 1 . .
    C C2 -0.1578(3) 0.9462(4) 0.7141(4) 0.0516(12) Uani d . 1 . .
    H H7 -0.2322 0.9627 0.7060 0.062 Uiso calc R 1 . .
    C C1 -0.0984(3) 0.9061(3) 0.8007(3) 0.0435(10) Uani d . 1 . .
    H H8 -0.1249 0.8905 0.8630 0.052 Uiso calc R 1 . .
    C C18 0.0637(4) 0.6367(3) 0.7131(3) 0.0477(11) Uani d . 1 . .
    H H9 0.0782 0.6578 0.6473 0.057 Uiso calc R 1 . .
    C C17 0.0115(4) 0.5462(3) 0.7345(3) 0.0493(11) Uani d . 1 . .
    H H10 -0.0153 0.4939 0.6866 0.059 Uiso calc R 1 . .
    N N7 0.0051(3) 0.5451(2) 0.8392(3) 0.0397(8) Uani d . 1 . .
    H H11 -0.0243 0.4963 0.8731 0.048 Uiso calc R 1 . .
    C C16 0.0534(3) 0.6349(3) 0.8788(3) 0.0322(9) Uani d . 1 . .
    C C15 0.0665(3) 0.6837(3) 0.9789(3) 0.0306(8) Uani d . 1 . .
    N N8 0.0546(3) 0.6485(2) 1.0734(2) 0.0412(8) Uani d . 1 . .
    C C14 0.0858(3) 0.7350(3) 1.1374(3) 0.0477(11) Uani d . 1 . .
    H H15 0.0868 0.7361 1.2094 0.057 Uiso calc R 1 . .
    C C13 0.1150(3) 0.8185(3) 1.0787(3) 0.0392(10) Uani d . 1 . .
    H H16 0.1393 0.8852 1.1036 0.047 Uiso calc R 1 . .
    C C12 0.3600(3) 0.7001(3) 0.8784(3) 0.0429(10) Uani d . 1 . .
    H H17 0.3368 0.6345 0.8496 0.051 Uiso calc R 1 . .
    C C11 0.4643(3) 0.7274(3) 0.9139(3) 0.0469(11) Uani d . 1 . .
    H H18 0.5256 0.6836 0.9151 0.056 Uiso calc R 1 . .
    N N9 0.4642(3) 0.8312(2) 0.9480(3) 0.0413(8) Uani d . 1 . .
    H H19 0.5204 0.8683 0.9734 0.050 Uiso calc R 1 . .
    C C10 0.3598(3) 0.8634(3) 0.9339(3) 0.0331(9) Uani d . 1 . .
    C C9 0.3067(3) 0.9641(3) 0.9483(3) 0.0333(9) Uani d . 1 . .
    N N10 0.3413(2) 1.0555(2) 0.9935(3) 0.0368(8) Uani d . 1 . .
    C C8 0.2507(3) 1.1201(3) 0.9770(3) 0.0419(10) Uani d . 1 . .
    H H23 0.2482 1.1907 0.9988 0.050 Uiso calc R 1 . .
    C C7 0.1643(3) 1.0652(3) 0.9236(3) 0.0394(9) Uani d . 1 . .
    H H24 0.0939 1.0913 0.9034 0.047 Uiso calc R 1 . .
_geom_special_details
;
All esds (except the esd in the dihedral angle between two l.s. planes) are
estimated using the full covariance matrix. The cell esds are taken into
account individually in the estimation of esds in distances, angles and
torsion angles; correlations between esds in cell parameters are only used
when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 N4 . 1.917(3) y
    Co1 N3 . 1.922(3) y
    Co1 N6 . 1.926(3) y
    Co1 N1 . 1.929(3) y
    Co1 N5 . 1.941(3) y
    Co1 N2 . 1.944(3) y
    N1 C6 . 1.344(4) n
    N1 C4 . 1.345(4) ?
    N2 C3 . 1.333(5) ?
    N2 C1 . 1.376(4) ?
    N3 C9 . 1.340(4) ?
    N3 C7 . 1.365(4) ?
    N4 C10 . 1.335(5) ?
    N4 C12 . 1.374(4) ?
    N5 C15 . 1.356(4) ?
    N5 C13 . 1.361(5) ?
    N6 C16 . 1.349(5) ?
    N6 C18 . 1.361(5) ?
    C5 N12 . 1.373(4) ?
    C5 C6 . 1.378(5) ?
    C5 H2 . 0.9300 ?
    C6 H1 . 0.9300 ?
    N12 C4 . 1.336(5) ?
    C4 C3 . 1.442(5) ?
    C3 N11 . 1.341(5) ?
    N11 C2 . 1.367(5) ?
    N11 H6 . 0.8600 ?
    C2 C1 . 1.348(5) ?
    C2 H7 . 0.9300 ?
    C1 H8 . 0.9300 ?
    C18 C17 . 1.350(5) ?
    C18 H9 . 0.9300 ?
    C17 N7 . 1.367(5) ?
    C17 H10 . 0.9300 ?
    N7 C16 . 1.341(4) ?
    N7 H11 . 0.8600 ?
    C16 C15 . 1.420(5) ?
    C15 N8 . 1.326(5) ?
    N8 C14 . 1.386(5) ?
    C14 C13 . 1.369(5) ?
    C14 H15 . 0.9300 ?
    C13 H16 . 0.9300 ?
    C12 C11 . 1.347(5) ?
    C12 H17 . 0.9300 ?
    C11 N9 . 1.373(5) ?
    C11 H18 . 0.9300 ?
    N9 C10 . 1.334(5) ?
    N9 H19 . 0.8600 ?
    C10 C9 . 1.443(5) ?
    C9 N10 . 1.329(4) ?
    N10 C8 . 1.370(5) ?
    C8 C7 . 1.372(5) ?
    C8 H23 . 0.9300 ?
    C7 H24 . 0.9300 ?
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
    N4 Co1 N3 . . 82.54(12) y
    N4 Co1 N6 . . 95.52(13) ?
    N3 Co1 N6 . . 173.01(13) ?
    N4 Co1 N1 . . 88.88(12) ?
    N3 Co1 N1 . . 92.05(13) ?
    N6 Co1 N1 . . 94.62(13) ?
    N4 Co1 N5 . . 90.23(13) ?
    N3 Co1 N5 . . 91.61(13) ?
    N6 Co1 N5 . . 81.67(13) y
    N1 Co1 N5 . . 176.08(12) ?
    N4 Co1 N2 . . 170.39(13) ?
    N3 Co1 N2 . . 94.22(12) ?
    N6 Co1 N2 . . 88.73(13) ?
    N1 Co1 N2 . . 82.18(12) y
    N5 Co1 N2 . . 98.93(12) ?
    C6 N1 C4 . . 105.1(3) ?
    C6 N1 Co1 . . 138.8(3) ?
    C4 N1 Co1 . . 116.0(2) ?
    C3 N2 C1 . . 106.1(3) ?
    C3 N2 Co1 . . 113.1(2) ?
    C1 N2 Co1 . . 140.5(3) ?
    C9 N3 C7 . . 105.2(3) ?
    C9 N3 Co1 . . 115.2(2) ?
    C7 N3 Co1 . . 139.5(3) ?
    C10 N4 C12 . . 106.3(3) ?
    C10 N4 Co1 . . 114.0(2) ?
    C12 N4 Co1 . . 138.2(3) ?
    C15 N5 C13 . . 105.3(3) ?
    C15 N5 Co1 . . 114.9(3) ?
    C13 N5 Co1 . . 138.2(3) ?
    C16 N6 C18 . . 106.1(3) ?
    C16 N6 Co1 . . 114.7(3) ?
    C18 N6 Co1 . . 138.3(3) ?
    N12 C5 C6 . . 109.9(3) ?
    N12 C5 H2 . . 125.1 ?
    C6 C5 H2 . . 125.1 ?
    N1 C6 C5 . . 107.8(3) ?
    N1 C6 H1 . . 126.1 ?
    C5 C6 H1 . . 126.1 ?
    C4 N12 C5 . . 102.7(3) ?
    N12 C4 N1 . . 114.6(3) ?
    N12 C4 C3 . . 133.6(3) ?
    N1 C4 C3 . . 111.8(3) ?
    N2 C3 N11 . . 110.7(3) ?
    N2 C3 C4 . . 116.8(3) ?
    N11 C3 C4 . . 132.5(4) ?
    C3 N11 C2 . . 107.0(3) ?
    C3 N11 H6 . . 126.5 ?
    C2 N11 H6 . . 126.5 ?
    C1 C2 N11 . . 107.6(3) ?
    C1 C2 H7 . . 126.2 ?
    N11 C2 H7 . . 126.2 ?
    C2 C1 N2 . . 108.6(4) ?
    C2 C1 H8 . . 125.7 ?
    N2 C1 H8 . . 125.7 ?
    C17 C18 N6 . . 109.0(4) ?
    C17 C18 H9 . . 125.5 ?
    N6 C18 H9 . . 125.5 ?
    C18 C17 N7 . . 107.7(4) ?
    C18 C17 H10 . . 126.2 ?
    N7 C17 H10 . . 126.2 ?
    C16 N7 C17 . . 106.8(3) ?
    C16 N7 H11 . . 126.6 ?
    C17 N7 H11 . . 126.6 ?
    N7 C16 N6 . . 110.4(3) ?
    N7 C16 C15 . . 134.4(3) ?
    N6 C16 C15 . . 115.1(3) ?
    N8 C15 N5 . . 113.9(3) ?
    N8 C15 C16 . . 133.1(3) ?
    N5 C15 C16 . . 113.0(3) ?
    C15 N8 C14 . . 103.5(3) ?
    C13 C14 N8 . . 109.8(4) ?
    C13 C14 H15 . . 125.1 ?
    N8 C14 H15 . . 125.1 ?
    N5 C13 C14 . . 107.5(3) ?
    N5 C13 H16 . . 126.2 ?
    C14 C13 H16 . . 126.2 ?
    C11 C12 N4 . . 108.2(3) ?
    C11 C12 H17 . . 125.9 ?
    N4 C12 H17 . . 125.9 ?
    C12 C11 N9 . . 107.9(3) ?
    C12 C11 H18 . . 126.1 ?
    N9 C11 H18 . . 126.1 ?
    C10 N9 C11 . . 106.6(3) ?
    C10 N9 H19 . . 126.7 ?
    C11 N9 H19 . . 126.7 ?
    N9 C10 N4 . . 111.0(3) ?
    N9 C10 C9 . . 133.7(3) ?
    N4 C10 C9 . . 115.2(3) ?
    N10 C9 N3 . . 114.1(3) ?
    N10 C9 C10 . . 133.3(3) ?
    N3 C9 C10 . . 112.6(3) ?
    C9 N10 C8 . . 103.6(3) ?
    N10 C8 C7 . . 109.9(3) ?
    N10 C8 H23 . . 125.0 ?
    C7 C8 H23 . . 125.0 ?
    N3 C7 C8 . . 107.1(3) ?
    N3 C7 H24 . . 126.4 ?
    C8 C7 H24 . . 126.4 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N4 Co1 N1 C6 . . . . -1.6(4) ?
    N3 Co1 N1 C6 . . . . 80.9(4) ?
    N6 Co1 N1 C6 . . . . -97.0(4) ?
    N2 Co1 N1 C6 . . . . 174.9(4) ?
    N4 Co1 N1 C4 . . . . -176.0(3) ?
    N3 Co1 N1 C4 . . . . -93.5(3) ?
    N6 Co1 N1 C4 . . . . 88.5(3) ?
    N2 Co1 N1 C4 . . . . 0.4(2) ?
    N3 Co1 N2 C3 . . . . 92.5(3) ?
    N6 Co1 N2 C3 . . . . -93.8(3) ?
    N1 Co1 N2 C3 . . . . 1.0(2) ?
    N5 Co1 N2 C3 . . . . -175.2(2) ?
    N3 Co1 N2 C1 . . . . -94.5(4) ?
    N6 Co1 N2 C1 . . . . 79.2(4) ?
    N1 Co1 N2 C1 . . . . 174.0(4) ?
    N5 Co1 N2 C1 . . . . -2.2(4) ?
    N4 Co1 N3 C9 . . . . -0.3(3) ?
    N1 Co1 N3 C9 . . . . -88.9(3) ?
    N5 Co1 N3 C9 . . . . 89.8(3) ?
    N2 Co1 N3 C9 . . . . -171.2(3) ?
    N4 Co1 N3 C7 . . . . -176.5(4) ?
    N1 Co1 N3 C7 . . . . 94.9(4) ?
    N5 Co1 N3 C7 . . . . -86.5(4) ?
    N2 Co1 N3 C7 . . . . 12.6(4) ?
    N3 Co1 N4 C10 . . . . -3.9(3) ?
    N6 Co1 N4 C10 . . . . -177.1(3) ?
    N1 Co1 N4 C10 . . . . 88.3(3) ?
    N5 Co1 N4 C10 . . . . -95.5(3) ?
    N3 Co1 N4 C12 . . . . -167.7(4) ?
    N6 Co1 N4 C12 . . . . 19.0(4) ?
    N1 Co1 N4 C12 . . . . -75.5(4) ?
    N5 Co1 N4 C12 . . . . 100.7(4) ?
    N4 Co1 N5 C15 . . . . -90.1(3) ?
    N3 Co1 N5 C15 . . . . -172.6(3) ?
    N6 Co1 N5 C15 . . . . 5.5(2) ?
    N2 Co1 N5 C15 . . . . 92.8(3) ?
    N4 Co1 N5 C13 . . . . 72.7(4) ?
    N3 Co1 N5 C13 . . . . -9.9(4) ?
    N6 Co1 N5 C13 . . . . 168.2(4) ?
    N2 Co1 N5 C13 . . . . -104.4(4) ?
    N4 Co1 N6 C16 . . . . 88.8(3) ?
    N1 Co1 N6 C16 . . . . 178.1(3) ?
    N5 Co1 N6 C16 . . . . -0.7(3) ?
    N2 Co1 N6 C16 . . . . -99.9(3) ?
    N4 Co1 N6 C18 . . . . -104.1(4) ?
    N1 Co1 N6 C18 . . . . -14.8(4) ?
    N5 Co1 N6 C18 . . . . 166.5(4) ?
    N2 Co1 N6 C18 . . . . 67.3(4) ?
    C4 N1 C6 C5 . . . . -0.4(4) ?
    Co1 N1 C6 C5 . . . . -175.3(3) ?
    N12 C5 C6 N1 . . . . 0.5(4) ?
    C6 C5 N12 C4 . . . . -0.3(4) ?
    C5 N12 C4 N1 . . . . 0.1(4) ?
    C5 N12 C4 C3 . . . . 177.6(4) ?
    C6 N1 C4 N12 . . . . 0.2(4) ?
    Co1 N1 C4 N12 . . . . 176.4(2) ?
    C6 N1 C4 C3 . . . . -177.9(3) ?
    Co1 N1 C4 C3 . . . . -1.7(4) ?
    C1 N2 C3 N11 . . . . 0.4(4) ?
    Co1 N2 C3 N11 . . . . 175.8(2) ?
    C1 N2 C3 C4 . . . . -177.6(3) ?
    Co1 N2 C3 C4 . . . . -2.2(4) ?
    N12 C4 C3 N2 . . . . -175.1(4) ?
    N1 C4 C3 N2 . . . . 2.5(5) ?
    N12 C4 C3 N11 . . . . 7.4(7) ?
    N1 C4 C3 N11 . . . . -174.9(4) ?
    N2 C3 N11 C2 . . . . -0.7(4) ?
    C4 C3 N11 C2 . . . . 176.9(4) ?
    C3 N11 C2 C1 . . . . 0.7(5) ?
    N11 C2 C1 N2 . . . . -0.4(5) ?
    C3 N2 C1 C2 . . . . 0.0(5) ?
    Co1 N2 C1 C2 . . . . -173.3(3) ?
    C16 N6 C18 C17 . . . . -1.3(5) ?
    Co1 N6 C18 C17 . . . . -169.1(3) ?
    N6 C18 C17 N7 . . . . 0.8(5) ?
    C18 C17 N7 C16 . . . . 0.1(5) ?
    C17 N7 C16 N6 . . . . -0.9(4) ?
    C17 N7 C16 C15 . . . . 174.7(4) ?
    C18 N6 C16 N7 . . . . 1.3(4) ?
    Co1 N6 C16 N7 . . . . 172.5(2) ?
    C18 N6 C16 C15 . . . . -175.2(3) ?
    Co1 N6 C16 C15 . . . . -4.0(4) ?
    C13 N5 C15 N8 . . . . 0.8(4) ?
    Co1 N5 C15 N8 . . . . 169.0(2) ?
    C13 N5 C15 C16 . . . . -177.1(3) ?
    Co1 N5 C15 C16 . . . . -8.9(4) ?
    N7 C16 C15 N8 . . . . 15.6(7) ?
    N6 C16 C15 N8 . . . . -169.0(4) ?
    N7 C16 C15 N5 . . . . -167.0(4) ?
    N6 C16 C15 N5 . . . . 8.5(5) ?
    N5 C15 N8 C14 . . . . -0.6(4) ?
    C16 C15 N8 C14 . . . . 176.8(4) ?
    C15 N8 C14 C13 . . . . 0.1(5) ?
    C15 N5 C13 C14 . . . . -0.7(4) ?
    Co1 N5 C13 C14 . . . . -164.5(3) ?
    N8 C14 C13 N5 . . . . 0.4(5) ?
    C10 N4 C12 C11 . . . . 1.1(4) ?
    Co1 N4 C12 C11 . . . . 165.8(3) ?
    N4 C12 C11 N9 . . . . -1.3(5) ?
    C12 C11 N9 C10 . . . . 1.0(4) ?
    C11 N9 C10 N4 . . . . -0.3(4) ?
    C11 N9 C10 C9 . . . . -175.9(4) ?
    C12 N4 C10 N9 . . . . -0.5(4) ?
    Co1 N4 C10 N9 . . . . -169.3(3) ?
    C12 N4 C10 C9 . . . . 176.0(3) ?
    Co1 N4 C10 C9 . . . . 7.1(4) ?
    C7 N3 C9 N10 . . . . 0.6(4) ?
    Co1 N3 C9 N10 . . . . -176.9(2) ?
    C7 N3 C9 C10 . . . . -178.5(3) ?
    Co1 N3 C9 C10 . . . . 4.0(4) ?
    N9 C10 C9 N10 . . . . -10.7(8) ?
    N4 C10 C9 N10 . . . . 173.8(4) ?
    N9 C10 C9 N3 . . . . 168.2(4) ?
    N4 C10 C9 N3 . . . . -7.3(5) ?
    N3 C9 N10 C8 . . . . -0.8(4) ?
    C10 C9 N10 C8 . . . . 178.1(4) ?
    C9 N10 C8 C7 . . . . 0.7(4) ?
    C9 N3 C7 C8 . . . . -0.1(4) ?
    Co1 N3 C7 C8 . . . . 176.4(3) ?
    N10 C8 C7 N3 . . . . -0.4(5) ?
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
    _geom_hbond_publ_flag
    N11 H6 N12 3_576 0.86 1.95 2.808(4) 172 y
    N7 H11 N8 3_567 0.86 1.99 2.814(4) 159 y
    N9 H19 N10 3_677 0.86 1.95 2.796(4) 169 y
data_global
_journal_date_recd_electronic     2010-03-25
_journal_date_accepted     2010-03-29
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      5
_journal_page_first     m500
_journal_page_last     m500
_journal_paper_category     QM
_journal_coeditor_code     HB5377
_publ_contact_author_name     'Liping Lu'
_publ_contact_author_address
;
Institute of Molecular Science,
Key Laboratory of Chemical Biology and Molecular
Engineering of the Education Ministry,
Shanxi University,
Taiyuan, Shanxi 030006,
People's Republic of China
;
_publ_contact_author_email     'luliping@sxu.edu.cn'
_publ_contact_author_fax     '++86-351-7011022'
_publ_contact_author_phone     '++86-351-7017974'
_publ_section_title
;
Tris[2-(1H-imidazol-2-yl)imidazol-1-ido]cobalt(III)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Ma, Qi' .
;
Institute of Molecular Science,
Key Laboratory of Chemical Biology and Molecular
Engineering of the Education Ministry,
Shanxi University,
Taiyuan, Shanxi 030006,
People's Republic of China
and
College of Chemistry and chemical Engineering ,
Shanxi Datong University,
Datong, Shanxi 037009,
People's Republic of China
;
    'Zhu, Miaoli' .
;
Institute of Molecular Science,
Key Laboratory of Chemical Biology and Molecular
Engineering of the Education Ministry,
Shanxi University,
Taiyuan, Shanxi 030006,
People's Republic of China
;
    'Feng, Sisi' .
;
Institute of Molecular Science,
Key Laboratory of Chemical Biology and Molecular
Engineering of the Education Ministry,
Shanxi University,
Taiyuan, Shanxi 030006,
People's Republic of China
;
    'Lu, Liping' .
;
Institute of Molecular Science,
Key Laboratory of Chemical Biology and Molecular
Engineering of the Education Ministry,
Shanxi University,
Taiyuan, Shanxi 030006,
People's Republic of China
;
