#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/58/2215801.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_2215801
loop_
_publ_author_name
'Xia, Chang-Kun'
'Wu, Wen'
'Chen, Qiu-Yun'
'Xie, Ji-Min'
_publ_section_title
catena-Poly[[[2-(2-pyridyl)-1H-benzimidazole]cobalt(II)]-μ-benzene-1,4-dicarboxylato]
_journal_coeditor_code           BT2531
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2726
_journal_page_last               m2726
_journal_paper_doi               10.1107/S1600536807049264
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co (C8 H4 O4) (C12 H9 N3)]'
_chemical_formula_moiety         'C20 H13 Co N3 O4'
_chemical_formula_sum            'C20 H13 Co N3 O4'
_chemical_formula_weight         418.26
_chemical_name_systematic
;
catena-Poly[[2-(2-pyridyl)-1H-benzimidazole]cobalt(II)]-μ-\
benzene-1,4-dicarboxylato]
;
_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                 95.914(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2518(7)
_cell_length_b                   20.6995(19)
_cell_length_c                   11.3088(11)
_cell_measurement_reflns_used    3393
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1929
_cell_volume                     1688.5(3)
_computing_cell_refinement       'CrystalClear (Rigaku, 2002)'
_computing_data_collection       'CrystalClear (Rigaku, 2002)'
_computing_data_reduction        'CrystalClear (Rigaku, 2002)'
_computing_molecular_graphics    'SHELXL97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku CCD'
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12922
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.34
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.051
_exptl_absorpt_correction_T_max  0.923
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2002)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.0800
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.398
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0487
_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)+(0.0355P)²+1.1421P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                3170
_reflns_number_total             3866
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt2531.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-p 2ybc'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215801
_cod_database_fobs_code          2215801
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
Co Co1 0.21952(5) 0.389651(17) 0.65376(3) 0.02542(12) Uani d . 1
C C1 0.1887(4) 0.51415(16) 0.8068(3) 0.0420(7) Uani d . 1
H H1A 0.1646 0.4867 0.8685 0.050 Uiso calc R 1
C C2 0.2052(5) 0.57978(18) 0.8292(3) 0.0541(9) Uani d . 1
H H2A 0.1906 0.5961 0.9042 0.065 Uiso calc R 1
C C3 0.2433(5) 0.62015(16) 0.7392(3) 0.0547(10) Uani d . 1
H H3A 0.2567 0.6643 0.7525 0.066 Uiso calc R 1
C C4 0.2617(4) 0.59479(14) 0.6290(3) 0.0421(8) Uani d . 1
H H4A 0.2882 0.6215 0.5668 0.051 Uiso calc R 1
C C5 0.2403(4) 0.52938(13) 0.6114(2) 0.0291(6) Uani d . 1
C C6 0.2538(3) 0.49664(12) 0.4984(2) 0.0259(5) Uani d . 1
C C7 0.2778(4) 0.47506(14) 0.3107(2) 0.0320(6) Uani d . 1
C C8 0.2962(5) 0.47506(16) 0.1891(3) 0.0429(8) Uani d . 1
H H8A 0.3118 0.5131 0.1475 0.051 Uiso calc R 1
C C9 0.2899(5) 0.41577(18) 0.1343(3) 0.0498(8) Uani d . 1
H H9A 0.3018 0.4137 0.0533 0.060 Uiso calc R 1
C C10 0.2664(5) 0.35865(16) 0.1960(3) 0.0440(8) Uani d . 1
H H10A 0.2617 0.3197 0.1549 0.053 Uiso calc R 1
C C11 0.2500(4) 0.35825(15) 0.3156(3) 0.0375(7) Uani d . 1
H H11A 0.2354 0.3199 0.3565 0.045 Uiso calc R 1
C C12 0.2559(4) 0.41753(13) 0.3730(2) 0.0276(6) Uani d . 1
C C13 0.4583(4) 0.35217(12) 0.8096(2) 0.0251(5) Uani d . 1
C C14 0.6013(4) 0.31788(12) 0.8909(2) 0.0248(5) Uani d . 1
C C15 0.7883(4) 0.32392(13) 0.8738(2) 0.0280(6) Uani d . 1
H H15A 0.8250 0.3527 0.8175 0.034 Uiso calc R 1
C C16 0.9190(4) 0.28677(13) 0.9411(2) 0.0297(6) Uani d . 1
H H16A 1.0440 0.2915 0.9314 0.036 Uiso calc R 1
C C17 0.8643(3) 0.24263(12) 1.0228(2) 0.0238(5) Uani d . 1
C C18 1.0033(4) 0.19638(13) 1.0811(2) 0.0259(6) Uani d . 1
C C19 0.6783(4) 0.23799(13) 1.0420(2) 0.0272(6) Uani d . 1
H H19A 0.6417 0.2093 1.0984 0.033 Uiso calc R 1
C C20 0.5484(4) 0.27602(13) 0.9769(2) 0.0276(6) Uani d . 1
H H20A 0.4244 0.2736 0.9910 0.033 Uiso calc R 1
O O1 0.2913(3) 0.35225(10) 0.83061(17) 0.0363(5) Uani d . 1
O O2 0.5059(2) 0.37898(9) 0.71660(16) 0.0305(4) Uani d . 1
O O3 1.1733(2) 0.20703(9) 1.08103(17) 0.0317(4) Uani d . 1
O O4 0.9473(2) 0.14397(9) 1.12442(16) 0.0289(4) Uani d . 1
N N1 0.2062(3) 0.48882(11) 0.7003(2) 0.0309(5) Uani d . 1
N N2 0.2420(3) 0.43282(10) 0.49134(18) 0.0263(5) Uani d . 1
N N3 0.2760(3) 0.52381(11) 0.3928(2) 0.0324(5) Uani d . 1
H H3B 0.2871 0.5644 0.3792 0.039 Uiso calc R 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N2 Co1 O4 . 4_465 99.39(8)
N2 Co1 N1 . . 79.16(9)
O4 Co1 N1 4_465 . 107.17(8)
N2 Co1 O2 . . 100.22(8)
O4 Co1 O2 4_465 . 152.82(7)
N1 Co1 O2 . . 94.88(8)
N2 Co1 O1 . . 161.16(8)
O4 Co1 O1 4_465 . 99.31(7)
N1 Co1 O1 . . 97.47(9)
O2 Co1 O1 . . 61.38(7)
N2 Co1 O3 . 4_465 94.88(8)
O4 Co1 O3 4_465 4_465 61.77(7)
N1 Co1 O3 . 4_465 166.70(8)
O2 Co1 O3 . 4_465 97.89(7)
O1 Co1 O3 . 4_465 91.91(8)
N2 Co1 C18 . 4_465 97.03(8)
O4 Co1 C18 4_465 4_465 31.22(8)
N1 Co1 C18 . 4_465 137.68(9)
O2 Co1 C18 . 4_465 126.96(8)
O1 Co1 C18 . 4_465 97.74(8)
O3 Co1 C18 4_465 4_465 30.60(7)
N2 Co1 C13 . . 131.17(9)
O4 Co1 C13 4_465 . 126.29(8)
N1 Co1 C13 . . 100.00(8)
O2 Co1 C13 . . 30.95(7)
O1 Co1 C13 . . 30.65(7)
O3 Co1 C13 4_465 . 92.88(8)
C18 Co1 C13 4_465 . 112.83(8)
N1 C1 C2 . . 122.5(3)
N1 C1 H1A . . 118.8
C2 C1 H1A . . 118.8
C3 C2 C1 . . 118.9(3)
C3 C2 H2A . . 120.5
C1 C2 H2A . . 120.5
C2 C3 C4 . . 119.3(3)
C2 C3 H3A . . 120.4
C4 C3 H3A . . 120.4
C3 C4 C5 . . 119.2(3)
C3 C4 H4A . . 120.4
C5 C4 H4A . . 120.4
N1 C5 C4 . . 122.1(3)
N1 C5 C6 . . 113.4(2)
C4 C5 C6 . . 124.6(3)
N2 C6 N3 . . 112.1(2)
N2 C6 C5 . . 120.4(2)
N3 C6 C5 . . 127.5(2)
N3 C7 C8 . . 132.5(3)
N3 C7 C12 . . 106.0(2)
C8 C7 C12 . . 121.5(3)
C9 C8 C7 . . 116.3(3)
C9 C8 H8A . . 121.9
C7 C8 H8A . . 121.9
C8 C9 C10 . . 122.2(3)
C8 C9 H9A . . 118.9
C10 C9 H9A . . 118.9
C11 C10 C9 . . 121.8(3)
C11 C10 H10A . . 119.1
C9 C10 H10A . . 119.1
C10 C11 C12 . . 117.1(3)
C10 C11 H11A . . 121.5
C12 C11 H11A . . 121.5
C11 C12 N2 . . 130.6(3)
C11 C12 C7 . . 121.1(3)
N2 C12 C7 . . 108.3(2)
O1 C13 O2 . . 120.4(2)
O1 C13 C14 . . 120.4(2)
O2 C13 C14 . . 119.2(2)
O1 C13 Co1 . . 61.04(13)
O2 C13 Co1 . . 60.05(13)
C14 C13 Co1 . . 169.17(18)
C20 C14 C15 . . 119.8(2)
C20 C14 C13 . . 120.3(2)
C15 C14 C13 . . 119.7(2)
C16 C15 C14 . . 119.6(2)
C16 C15 H15A . . 120.2
C14 C15 H15A . . 120.2
C17 C16 C15 . . 120.4(2)
C17 C16 H16A . . 119.8
C15 C16 H16A . . 119.8
C16 C17 C19 . . 119.9(2)
C16 C17 C18 . . 119.4(2)
C19 C17 C18 . . 120.5(2)
O3 C18 O4 . . 120.2(2)
O3 C18 C17 . . 120.4(2)
O4 C18 C17 . . 119.2(2)
O3 C18 Co1 . 4_666 62.20(14)
O4 C18 Co1 . 4_666 58.13(13)
C17 C18 Co1 . 4_666 172.09(18)
C20 C19 C17 . . 119.8(2)
C20 C19 H19A . . 120.1
C17 C19 H19A . . 120.1
C19 C20 C14 . . 120.5(2)
C19 C20 H20A . . 119.8
C14 C20 H20A . . 119.8
C13 O1 Co1 . . 88.31(15)
C13 O2 Co1 . . 89.00(15)
C18 O3 Co1 . 4_666 87.20(15)
C18 O4 Co1 . 4_666 90.65(15)
C1 N1 C5 . . 118.0(3)
C1 N1 Co1 . . 128.0(2)
C5 N1 Co1 . . 113.55(17)
C6 N2 C12 . . 105.9(2)
C6 N2 Co1 . . 112.86(17)
C12 N2 Co1 . . 141.17(18)
C6 N3 C7 . . 107.7(2)
C6 N3 O2 . 3_666 141.83(18)
C7 N3 O2 . 3_666 100.21(17)
C6 N3 O4 . 2_656 107.15(17)
C7 N3 O4 . 2_656 128.03(18)
O2 N3 O4 3_666 2_656 73.09(7)
C6 N3 H3B . . 126.2
C7 N3 H3B . . 126.2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Co1 N2 . 2.064(2)
Co1 O4 4_465 2.0872(18)
Co1 N1 . 2.124(2)
Co1 O2 . 2.1362(18)
Co1 O1 . 2.1577(19)
Co1 O3 4_465 2.1765(18)
C1 N1 . 1.332(4)
C1 C2 . 1.385(5)
C1 H1A . 0.9300
C2 C3 . 1.367(5)
C2 H2A . 0.9300
C3 C4 . 1.371(5)
C3 H3A . 0.9300
C4 C5 . 1.375(4)
C4 H4A . 0.9300
C5 N1 . 1.352(4)
C5 C6 . 1.459(4)
C6 N2 . 1.326(3)
C6 N3 . 1.344(3)
C7 N3 . 1.372(4)
C7 C8 . 1.395(4)
C7 C12 . 1.401(4)
C8 C9 . 1.373(5)
C8 H8A . 0.9300
C9 C10 . 1.392(5)
C9 H9A . 0.9300
C10 C11 . 1.371(4)
C10 H10A . 0.9300
C11 C12 . 1.387(4)
C11 H11A . 0.9300
C12 N2 . 1.389(3)
C13 O1 . 1.257(3)
C13 O2 . 1.268(3)
C13 C14 . 1.493(3)
C14 C20 . 1.386(4)
C14 C15 . 1.395(3)
C15 C16 . 1.386(4)
C15 H15A . 0.9300
C16 C17 . 1.386(4)
C16 H16A . 0.9300
C17 C19 . 1.392(4)
C17 C18 . 1.493(4)
C18 O3 . 1.253(3)
C18 O4 . 1.274(3)
C19 C20 . 1.381(4)
C19 H19A . 0.9300
C20 H20A . 0.9300
N3 O2 3_666 2.913(3)
N3 O4 2_656 2.963(3)
N3 H3B . 0.8600
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
N3 H3B O2 3_666 0.86 2.27 2.913(3) 132.1
N3 H3B O4 2_656 0.86 2.36 2.963(3) 127.1
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_4
_geom_torsion
N1 C1 C2 C3 . . -0.9(5)
C1 C2 C3 C4 . . 0.9(5)
C2 C3 C4 C5 . . 0.3(5)
C3 C4 C5 N1 . . -1.6(5)
C3 C4 C5 C6 . . 179.1(3)
N1 C5 C6 N2 . . -3.3(4)
C4 C5 C6 N2 . . 176.0(3)
N1 C5 C6 N3 . . 175.9(3)
C4 C5 C6 N3 . . -4.8(4)
N3 C7 C8 C9 . . -179.5(3)
C12 C7 C8 C9 . . 0.6(5)
C7 C8 C9 C10 . . 0.0(5)
C8 C9 C10 C11 . . -0.7(5)
C9 C10 C11 C12 . . 0.6(5)
C10 C11 C12 N2 . . 179.5(3)
C10 C11 C12 C7 . . 0.0(4)
N3 C7 C12 C11 . . 179.4(3)
C8 C7 C12 C11 . . -0.7(4)
N3 C7 C12 N2 . . -0.2(3)
C8 C7 C12 N2 . . 179.8(3)
N2 Co1 C13 O1 . . 172.07(15)
O4 Co1 C13 O1 4_465 . -32.30(19)
N1 Co1 C13 O1 . . 87.79(16)
O2 Co1 C13 O1 . . 170.6(2)
O3 Co1 C13 O1 4_465 . -88.89(16)
C18 Co1 C13 O1 4_465 . -64.94(17)
N2 Co1 C13 O2 . . 1.5(2)
O4 Co1 C13 O2 4_465 . 157.15(13)
N1 Co1 C13 O2 . . -82.77(16)
O1 Co1 C13 O2 . . -170.6(2)
O3 Co1 C13 O2 4_465 . 100.56(15)
C18 Co1 C13 O2 4_465 . 124.51(15)
N2 Co1 C13 C14 . . -87.5(10)
O4 Co1 C13 C14 4_465 . 68.2(10)
N1 Co1 C13 C14 . . -171.8(10)
O2 Co1 C13 C14 . . -89.0(10)
O1 Co1 C13 C14 . . 100.5(10)
O3 Co1 C13 C14 4_465 . 11.6(10)
C18 Co1 C13 C14 4_465 . 35.5(10)
O1 C13 C14 C20 . . 12.1(4)
O2 C13 C14 C20 . . -165.1(2)
Co1 C13 C14 C20 . . -82.2(10)
O1 C13 C14 C15 . . -173.2(2)
O2 C13 C14 C15 . . 9.7(4)
Co1 C13 C14 C15 . . 92.5(10)
C20 C14 C15 C16 . . 1.6(4)
C13 C14 C15 C16 . . -173.2(2)
C14 C15 C16 C17 . . 1.7(4)
C15 C16 C17 C19 . . -3.5(4)
C15 C16 C17 C18 . . 171.0(2)
C16 C17 C18 O3 . . 18.1(4)
C19 C17 C18 O3 . . -167.5(2)
C16 C17 C18 O4 . . -157.5(2)
C19 C17 C18 O4 . . 16.9(4)
C16 C17 C19 C20 . . 2.0(4)
C18 C17 C19 C20 . . -172.4(2)
C17 C19 C20 C14 . . 1.3(4)
C15 C14 C20 C19 . . -3.1(4)
C13 C14 C20 C19 . . 171.6(2)
O2 C13 O1 Co1 . . 9.5(2)
C14 C13 O1 Co1 . . -167.6(2)
N2 Co1 O1 C13 . . -18.8(3)
O4 Co1 O1 C13 4_465 . 154.12(15)
N1 Co1 O1 C13 . . -97.02(16)
O2 Co1 O1 C13 . . -5.52(14)
O3 Co1 O1 C13 4_465 . 92.43(16)
C18 Co1 O1 C13 4_465 . 122.59(16)
O1 C13 O2 Co1 . . -9.6(2)
C14 C13 O2 Co1 . . 167.6(2)
N2 Co1 O2 C13 . . -178.84(15)
O4 Co1 O2 C13 4_465 . -43.3(2)
N1 Co1 O2 C13 . . 101.32(16)
O1 Co1 O2 C13 . . 5.47(14)
O3 Co1 O2 C13 4_465 . -82.40(15)
C18 Co1 O2 C13 4_465 . -71.90(17)
O4 C18 O3 Co1 . 4_666 4.1(2)
C17 C18 O3 Co1 . 4_666 -171.4(2)
O3 C18 O4 Co1 . 4_666 -4.3(2)
C17 C18 O4 Co1 . 4_666 171.3(2)
C2 C1 N1 C5 . . -0.3(4)
C2 C1 N1 Co1 . . 171.6(2)
C4 C5 N1 C1 . . 1.6(4)
C6 C5 N1 C1 . . -179.1(2)
C4 C5 N1 Co1 . . -171.4(2)
C6 C5 N1 Co1 . . 7.9(3)
N2 Co1 N1 C1 . . -179.7(3)
O4 Co1 N1 C1 4_465 . 83.7(3)
O2 Co1 N1 C1 . . -80.2(3)
O1 Co1 N1 C1 . . -18.5(3)
O3 Co1 N1 C1 4_465 . 116.0(4)
C18 Co1 N1 C1 4_465 . 91.7(3)
C13 Co1 N1 C1 . . -49.4(3)
N2 Co1 N1 C5 . . -7.54(18)
O4 Co1 N1 C5 4_465 . -104.12(18)
O2 Co1 N1 C5 . . 91.96(18)
O1 Co1 N1 C5 . . 153.68(18)
O3 Co1 N1 C5 4_465 . -71.8(4)
C18 Co1 N1 C5 4_465 . -96.1(2)
C13 Co1 N1 C5 . . 122.76(18)
N3 C6 N2 C12 . . -0.5(3)
C5 C6 N2 C12 . . 178.8(2)
N3 C6 N2 Co1 . . 177.46(17)
C5 C6 N2 Co1 . . -3.2(3)
C11 C12 N2 C6 . . -179.1(3)
C7 C12 N2 C6 . . 0.4(3)
C11 C12 N2 Co1 . . 3.9(5)
C7 C12 N2 Co1 . . -176.6(2)
O4 Co1 N2 C6 4_465 . 111.45(18)
N1 Co1 N2 C6 . . 5.60(18)
O2 Co1 N2 C6 . . -87.46(18)
O1 Co1 N2 C6 . . -75.7(3)
O3 Co1 N2 C6 4_465 . 173.60(18)
C18 Co1 N2 C6 4_465 . 142.90(18)
C13 Co1 N2 C6 . . -88.3(2)
O4 Co1 N2 C12 4_465 . -71.6(3)
N1 Co1 N2 C12 . . -177.5(3)
O2 Co1 N2 C12 . . 89.5(3)
O1 Co1 N2 C12 . . 101.2(4)
O3 Co1 N2 C12 4_465 . -9.5(3)
C18 Co1 N2 C12 4_465 . -40.2(3)
C13 Co1 N2 C12 . . 88.7(3)
N2 C6 N3 C7 . . 0.4(3)
C5 C6 N3 C7 . . -178.8(3)
N2 C6 N3 O2 . 3_666 -134.5(2)
C5 C6 N3 O2 . 3_666 46.3(4)
N2 C6 N3 O4 . 2_656 141.23(18)
C5 C6 N3 O4 . 2_656 -38.0(3)
C8 C7 N3 C6 . . 179.9(3)
C12 C7 N3 C6 . . -0.1(3)
C8 C7 N3 O2 . 3_666 -26.5(4)
C12 C7 N3 O2 . 3_666 153.47(18)
C8 C7 N3 O4 . 2_656 50.0(4)
C12 C7 N3 O4 . 2_656 -130.1(2)
