#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/17/2231734.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_2231734
loop_
_publ_author_name
'Liu, Chang-Xiang'
'Song, Xiu-Ying'
'Liu, Qian'
'Nie, Xu-Liang'
'Wen, Shi-He'
_publ_section_title
;
 Dichloridotetrakis(diniconazole)cobalt(II)
;
_journal_coeditor_code           XU5277
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1214
_journal_paper_doi               10.1107/S1600536811031291
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co Cl2 (C15 H17 Cl2 N3 O)4]'
_chemical_formula_moiety         'C60 H68 Cl10 Co N12 O4'
_chemical_formula_sum            'C60 H68 Cl10 Co N12 O4'
_chemical_formula_weight         1434.69
_chemical_name_common
;
Dichloridotetrakis(diniconazole)cobalt(II)
;
_chemical_name_systematic
;
Dichloridotetrakis[(E)-(RS)-1-(2,4-dichlorophenyl)-4,4-
dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol]cobalt(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.918(3)
_cell_angle_beta                 98.560(3)
_cell_angle_gamma                106.775(3)
_cell_formula_units_Z            1
_cell_length_a                   8.800(2)
_cell_length_b                   13.729(4)
_cell_length_c                   15.145(4)
_cell_measurement_reflns_used    5326
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.73
_cell_measurement_theta_min      2.45
_cell_volume                     1729.0(8)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12895
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.45
_exptl_absorpt_coefficient_mu    0.688
_exptl_absorpt_correction_T_max  0.9159
_exptl_absorpt_correction_T_min  0.8469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2007)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             741
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.577
_refine_diff_density_min         -0.528
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         6356
_refine_ls_number_restraints     70
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0725
_refine_ls_R_factor_gt           0.0396
_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)+(0.0391P)²+0.9781P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0980
_reflns_number_gt                4764
_reflns_number_total             6356
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5277.cif
_cod_data_source_block           I
_cod_database_code               2231734
_cod_database_fobs_code          2231734
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
C C1 1.0494(4) -0.3225(2) 0.0361(2) 0.0497(8) Uani d . 1 1
C C2 0.8863(4) -0.3484(2) 0.0079(2) 0.0489(7) Uani d . 1 1
H H2 0.8396 -0.3873 -0.0453 0.059 Uiso calc R 1 1
C C3 0.7935(3) -0.3154(2) 0.06012(18) 0.0409(7) Uani d . 1 1
C C4 0.8601(3) -0.2571(2) 0.13991(17) 0.0354(6) Uani d . 1 1
C C5 1.0255(3) -0.2327(2) 0.16483(19) 0.0431(7) Uani d . 1 1
H H5 1.0734 -0.1933 0.2177 0.052 Uiso calc R 1 1
C C6 1.1210(4) -0.2648(2) 0.1137(2) 0.0481(7) Uani d . 1 1
H H6 1.2317 -0.2477 0.1316 0.058 Uiso calc R 1 1
C C7 0.7567(3) -0.2295(2) 0.19802(17) 0.0367(6) Uani d . 1 1
H H7 0.6785 -0.2831 0.2166 0.044 Uiso calc R 1 1
C C8 0.7633(3) -0.1368(2) 0.22641(16) 0.0311(6) Uani d . 1 1
C C9 0.8686(3) -0.0379(2) 0.19926(17) 0.0362(6) Uani d . 1 1
H H9 0.9536 -0.0539 0.1721 0.043 Uiso calc R 1 1
C C10 0.7825(4) 0.0182(2) 0.13025(19) 0.0497(8) Uani d . 1 1
C C11 0.6677(4) 0.0643(3) 0.1702(3) 0.0714(10) Uani d . 1 1
H H11A 0.7229 0.1041 0.2244 0.107 Uiso calc R 1 1
H H11B 0.5777 0.0107 0.1831 0.107 Uiso calc R 1 1
H H11C 0.6303 0.1072 0.1282 0.107 Uiso calc R 1 1
C C12 0.9126(5) 0.1039(3) 0.0983(3) 0.0819(12) Uani d . 1 1
H H12A 0.9661 0.1530 0.1472 0.123 Uiso calc R 1 1
H H12B 0.8641 0.1365 0.0511 0.123 Uiso calc R 1 1
H H12C 0.9893 0.0762 0.0764 0.123 Uiso calc R 1 1
C C13 0.6918(5) -0.0564(3) 0.0503(2) 0.0814(12) Uani d . 1 1
H H13A 0.6532 -0.0197 0.0029 0.122 Uiso calc R 1 1
H H13B 0.6024 -0.1063 0.0683 0.122 Uiso calc R 1 1
H H13C 0.7629 -0.0899 0.0296 0.122 Uiso calc R 1 1
N N3 0.4927(3) -0.18374(18) 0.26583(15) 0.0424(4) Uani d U 1 1
C C15 0.6774(3) -0.0721(2) 0.36012(17) 0.0359(4) Uani d U 1 1
H H15 0.7771 -0.0294 0.3865 0.043 Uiso calc R 1 1
C C16 0.6166(3) 0.2063(2) 0.4043(2) 0.0490(8) Uani d . 1 1
H H16 0.5121 0.2104 0.3907 0.059 Uiso calc R 1 1
C C17 0.8114(3) 0.15788(19) 0.45944(17) 0.0330(6) Uani d . 1 1
H H17 0.8764 0.1235 0.4915 0.040 Uiso calc R 1 1
C C18 1.0204(3) 0.27636(18) 0.38500(17) 0.0305(6) Uani d . 1 1
C C19 1.1615(3) 0.27996(19) 0.45688(17) 0.0339(6) Uani d . 1 1
H H19 1.2570 0.2944 0.4276 0.041 Uiso calc R 1 1
C C20 1.1966(3) 0.3632(2) 0.53304(19) 0.0434(7) Uani d . 1 1
C C21 1.0705(4) 0.3406(3) 0.5948(2) 0.0609(9) Uani d . 1 1
H H21A 1.0569 0.2734 0.6154 0.091 Uiso calc R 1 1
H H21B 0.9701 0.3448 0.5628 0.091 Uiso calc R 1 1
H H21C 1.1050 0.3896 0.6452 0.091 Uiso calc R 1 1
C C22 1.3596(4) 0.3668(3) 0.5869(2) 0.0714(10) Uani d . 1 1
H H22A 1.3883 0.4191 0.6343 0.107 Uiso calc R 1 1
H H22B 1.4397 0.3814 0.5483 0.107 Uiso calc R 1 1
H H22C 1.3532 0.3021 0.6117 0.107 Uiso calc R 1 1
C C23 1.2078(5) 0.4660(2) 0.4928(2) 0.0730(11) Uani d . 1 1
H H23A 1.2391 0.5189 0.5399 0.110 Uiso calc R 1 1
H H23B 1.1050 0.4644 0.4599 0.110 Uiso calc R 1 1
H H23C 1.2863 0.4792 0.4533 0.110 Uiso calc R 1 1
C C24 1.0297(3) 0.3108(2) 0.30455(17) 0.0358(6) Uani d . 1 1
H H24 0.9347 0.3106 0.2681 0.043 Uiso calc R 1 1
C C25 1.1823(3) 0.3496(2) 0.26884(17) 0.0349(6) Uani d . 1 1
C C26 1.2355(3) 0.4487(2) 0.24285(17) 0.0373(6) Uani d . 1 1
C C27 1.3818(3) 0.4862(2) 0.21383(18) 0.0410(7) Uani d . 1 1
H H27 1.4151 0.5529 0.1970 0.049 Uiso calc R 1 1
C C28 1.4770(3) 0.4232(2) 0.21036(17) 0.0406(7) Uani d . 1 1
C C29 1.4252(3) 0.3228(2) 0.23034(19) 0.0455(7) Uani d . 1 1
H H29 1.4881 0.2798 0.2246 0.055 Uiso calc R 1 1
C C30 1.2782(3) 0.2868(2) 0.25912(18) 0.0432(7) Uani d . 1 1
H H30 1.2426 0.2188 0.2723 0.052 Uiso calc R 1 1
Cl Cl1 1.16567(13) -0.36529(9) -0.02980(7) 0.0868(3) Uani d . 1 1
Cl Cl2 0.58804(9) -0.34674(7) 0.02462(6) 0.0630(2) Uani d . 1 1
Cl Cl3 1.66675(9) 0.47063(7) 0.18178(6) 0.0626(2) Uani d . 1 1
Cl Cl4 1.11859(10) 0.52998(7) 0.24962(6) 0.0644(2) Uani d . 1 1
Cl Cl5 0.73853(7) -0.02334(5) 0.60279(5) 0.04108(17) Uani d . 1 1
Co Co1 0.5000 0.0000 0.5000 0.02659(13) Uani d S 1 2
N N1 0.6509(2) -0.12807(17) 0.28403(14) 0.0363(4) Uani d U 1 1
N N2 0.5432(2) -0.08524(16) 0.39304(14) 0.0367(4) Uani d U 1 1
C C14 0.4351(3) -0.1547(2) 0.33316(18) 0.0417(4) Uani d U 1 1
H H14 0.3274 -0.1800 0.3394 0.050 Uiso calc R 1 1
N N4 0.6547(2) 0.13667(16) 0.45758(14) 0.0335(5) Uani d . 1 1
N N5 0.7373(3) 0.26797(19) 0.37297(18) 0.0511(7) Uani d . 1 1
N N6 0.8632(2) 0.23515(15) 0.40909(14) 0.0319(5) Uani d . 1 1
O O1 0.9452(2) 0.03136(14) 0.27492(13) 0.0439(5) Uani d . 1 1
H H1 1.0267 0.0181 0.2980 0.066 Uiso calc R 1 1
O O2 1.1451(2) 0.18421(14) 0.49524(13) 0.0437(5) Uani d . 1 1
H H2A 1.1807 0.1485 0.4650 0.066 Uiso calc R 1 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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C6 C1 C2 . . 121.9(3)
C6 C1 Cl1 . . 119.8(2)
C2 C1 Cl1 . . 118.3(2)
C1 C2 C3 . . 118.5(3)
C1 C2 H2 . . 120.7
C3 C2 H2 . . 120.7
C2 C3 C4 . . 121.9(3)
C2 C3 Cl2 . . 118.8(2)
C4 C3 Cl2 . . 119.3(2)
C5 C4 C3 . . 117.1(2)
C5 C4 C7 . . 122.0(2)
C3 C4 C7 . . 120.7(2)
C6 C5 C4 . . 122.0(3)
C6 C5 H5 . . 119.0
C4 C5 H5 . . 119.0
C1 C6 C5 . . 118.5(3)
C1 C6 H6 . . 120.7
C5 C6 H6 . . 120.7
C8 C7 C4 . . 126.8(2)
C8 C7 H7 . . 116.6
C4 C7 H7 . . 116.6
C7 C8 N1 . . 117.2(2)
C7 C8 C9 . . 126.6(2)
N1 C8 C9 . . 116.1(2)
O1 C9 C8 . . 111.5(2)
O1 C9 C10 . . 108.0(2)
C8 C9 C10 . . 115.1(2)
O1 C9 H9 . . 107.3
C8 C9 H9 . . 107.3
C10 C9 H9 . . 107.3
C11 C10 C12 . . 108.8(3)
C11 C10 C13 . . 110.4(3)
C12 C10 C13 . . 108.9(3)
C11 C10 C9 . . 112.4(2)
C12 C10 C9 . . 107.2(3)
C13 C10 C9 . . 109.1(3)
C10 C11 H11A . . 109.5
C10 C11 H11B . . 109.5
H11A C11 H11B . . 109.5
C10 C11 H11C . . 109.5
H11A C11 H11C . . 109.5
H11B C11 H11C . . 109.5
C10 C12 H12A . . 109.5
C10 C12 H12B . . 109.5
H12A C12 H12B . . 109.5
C10 C12 H12C . . 109.5
H12A C12 H12C . . 109.5
H12B C12 H12C . . 109.5
C10 C13 H13A . . 109.5
C10 C13 H13B . . 109.5
H13A C13 H13B . . 109.5
C10 C13 H13C . . 109.5
H13A C13 H13C . . 109.5
H13B C13 H13C . . 109.5
C14 N3 N1 . . 102.1(2)
N2 C15 N1 . . 110.7(2)
N2 C15 H15 . . 124.6
N1 C15 H15 . . 124.6
N5 C16 N4 . . 115.2(2)
N5 C16 H16 . . 122.4
N4 C16 H16 . . 122.4
N4 C17 N6 . . 110.5(2)
N4 C17 H17 . . 124.8
N6 C17 H17 . . 124.8
C24 C18 N6 . . 118.0(2)
C24 C18 C19 . . 125.8(2)
N6 C18 C19 . . 116.1(2)
O2 C19 C18 . . 111.8(2)
O2 C19 C20 . . 108.6(2)
C18 C19 C20 . . 115.3(2)
O2 C19 H19 . . 106.9
C18 C19 H19 . . 106.9
C20 C19 H19 . . 106.9
C21 C20 C22 . . 109.1(3)
C21 C20 C23 . . 109.9(3)
C22 C20 C23 . . 109.3(3)
C21 C20 C19 . . 112.8(2)
C22 C20 C19 . . 106.4(3)
C23 C20 C19 . . 109.3(2)
C20 C21 H21A . . 109.5
C20 C21 H21B . . 109.5
H21A C21 H21B . . 109.5
C20 C21 H21C . . 109.5
H21A C21 H21C . . 109.5
H21B C21 H21C . . 109.5
C20 C22 H22A . . 109.5
C20 C22 H22B . . 109.5
H22A C22 H22B . . 109.5
C20 C22 H22C . . 109.5
H22A C22 H22C . . 109.5
H22B C22 H22C . . 109.5
C20 C23 H23A . . 109.5
C20 C23 H23B . . 109.5
H23A C23 H23B . . 109.5
C20 C23 H23C . . 109.5
H23A C23 H23C . . 109.5
H23B C23 H23C . . 109.5
C18 C24 C25 . . 123.9(2)
C18 C24 H24 . . 118.0
C25 C24 H24 . . 118.0
C26 C25 C30 . . 117.1(2)
C26 C25 C24 . . 122.3(2)
C30 C25 C24 . . 120.6(2)
C27 C26 C25 . . 122.1(3)
C27 C26 Cl4 . . 118.3(2)
C25 C26 Cl4 . . 119.6(2)
C28 C27 C26 . . 118.8(3)
C28 C27 H27 . . 120.6
C26 C27 H27 . . 120.6
C27 C28 C29 . . 121.1(2)
C27 C28 Cl3 . . 119.7(2)
C29 C28 Cl3 . . 119.1(2)
C28 C29 C30 . . 119.0(3)
C28 C29 H29 . . 120.5
C30 C29 H29 . . 120.5
C29 C30 C25 . . 121.7(3)
C29 C30 H30 . . 119.2
C25 C30 H30 . . 119.2
N2 Co1 N2 . 2_656 180.0
N2 Co1 N4 . 2_656 90.22(8)
N2 Co1 N4 2_656 2_656 89.78(8)
N2 Co1 N4 . . 89.78(8)
N2 Co1 N4 2_656 . 90.22(8)
N4 Co1 N4 2_656 . 180.00(8)
N2 Co1 Cl5 . 2_656 88.23(6)
N2 Co1 Cl5 2_656 2_656 91.77(6)
N4 Co1 Cl5 2_656 2_656 89.15(6)
N4 Co1 Cl5 . 2_656 90.85(6)
N2 Co1 Cl5 . . 91.77(6)
N2 Co1 Cl5 2_656 . 88.23(6)
N4 Co1 Cl5 2_656 . 90.85(6)
N4 Co1 Cl5 . . 89.15(6)
Cl5 Co1 Cl5 2_656 . 180.00(3)
C15 N1 N3 . . 109.4(2)
C15 N1 C8 . . 129.1(2)
N3 N1 C8 . . 121.5(2)
C15 N2 C14 . . 102.5(2)
C15 N2 Co1 . . 128.29(18)
C14 N2 Co1 . . 128.41(17)
N3 C14 N2 . . 115.2(2)
N3 C14 H14 . . 122.4
N2 C14 H14 . . 122.4
C17 N4 C16 . . 102.6(2)
C17 N4 Co1 . . 126.15(17)
C16 N4 Co1 . . 129.29(17)
C16 N5 N6 . . 102.5(2)
C17 N6 N5 . . 109.3(2)
C17 N6 C18 . . 129.1(2)
N5 N6 C18 . . 121.3(2)
C9 O1 H1 . . 109.5
C19 O2 H2A . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C6 . 1.367(4)
C1 C2 . 1.373(4)
C1 Cl1 . 1.737(3)
C2 C3 . 1.376(4)
C2 H2 . 0.9300
C3 C4 . 1.389(4)
C3 Cl2 . 1.731(3)
C4 C5 . 1.387(4)
C4 C7 . 1.474(3)
C5 C6 . 1.378(4)
C5 H5 . 0.9300
C6 H6 . 0.9300
C7 C8 . 1.320(4)
C7 H7 . 0.9300
C8 N1 . 1.441(3)
C8 C9 . 1.509(4)
C9 O1 . 1.427(3)
C9 C10 . 1.544(4)
C9 H9 . 0.9800
C10 C11 . 1.525(4)
C10 C12 . 1.529(5)
C10 C13 . 1.534(4)
C11 H11A . 0.9600
C11 H11B . 0.9600
C11 H11C . 0.9600
C12 H12A . 0.9600
C12 H12B . 0.9600
C12 H12C . 0.9600
C13 H13A . 0.9600
C13 H13B . 0.9600
C13 H13C . 0.9600
N3 C14 . 1.309(3)
N3 N1 . 1.365(3)
C15 N2 . 1.315(3)
C15 N1 . 1.327(3)
C15 H15 . 0.9300
C16 N5 . 1.309(3)
C16 N4 . 1.344(3)
C16 H16 . 0.9300
C17 N4 . 1.321(3)
C17 N6 . 1.328(3)
C17 H17 . 0.9300
C18 C24 . 1.319(3)
C18 N6 . 1.439(3)
C18 C19 . 1.513(3)
C19 O2 . 1.424(3)
C19 C20 . 1.543(4)
C19 H19 . 0.9800
C20 C21 . 1.525(4)
C20 C22 . 1.527(4)
C20 C23 . 1.529(4)
C21 H21A . 0.9600
C21 H21B . 0.9600
C21 H21C . 0.9600
C22 H22A . 0.9600
C22 H22B . 0.9600
C22 H22C . 0.9600
C23 H23A . 0.9600
C23 H23B . 0.9600
C23 H23C . 0.9600
C24 C25 . 1.481(3)
C24 H24 . 0.9300
C25 C26 . 1.389(4)
C25 C30 . 1.389(4)
C26 C27 . 1.382(4)
C26 Cl4 . 1.733(3)
C27 C28 . 1.373(4)
C27 H27 . 0.9300
C28 C29 . 1.374(4)
C28 Cl3 . 1.731(3)
C29 C30 . 1.383(4)
C29 H29 . 0.9300
C30 H30 . 0.9300
Cl5 Co1 . 2.5227(8)
Co1 N2 . 2.126(2)
Co1 N2 2_656 2.126(2)
Co1 N4 2_656 2.147(2)
Co1 N4 . 2.147(2)
Co1 Cl5 2_656 2.5227(8)
N2 C14 . 1.352(3)
C14 H14 . 0.9300
N5 N6 . 1.359(3)
O1 H1 . 0.8200
O2 H2A . 0.8200
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
O1 H1 Cl5 2_756 0.82 2.35 3.136(2) 161.2
O2 H2A Cl5 2_756 0.82 2.32 3.128(2) 169.0
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
C6 C1 C2 C3 . -0.4(5)
Cl1 C1 C2 C3 . 179.5(2)
C1 C2 C3 C4 . 0.0(4)
C1 C2 C3 Cl2 . 179.5(2)
C2 C3 C4 C5 . 0.4(4)
Cl2 C3 C4 C5 . -179.1(2)
C2 C3 C4 C7 . -175.2(3)
Cl2 C3 C4 C7 . 5.3(4)
C3 C4 C5 C6 . -0.5(4)
C7 C4 C5 C6 . 175.1(3)
C2 C1 C6 C5 . 0.4(5)
Cl1 C1 C6 C5 . -179.5(2)
C4 C5 C6 C1 . 0.0(4)
C5 C4 C7 C8 . 60.7(4)
C3 C4 C7 C8 . -123.9(3)
C4 C7 C8 N1 . -179.2(2)
C4 C7 C8 C9 . 5.7(4)
C7 C8 C9 O1 . -134.4(3)
N1 C8 C9 O1 . 50.5(3)
C7 C8 C9 C10 . 102.1(3)
N1 C8 C9 C10 . -73.1(3)
O1 C9 C10 C11 . -54.3(3)
C8 C9 C10 C11 . 71.1(3)
O1 C9 C10 C12 . 65.2(3)
C8 C9 C10 C12 . -169.4(3)
O1 C9 C10 C13 . -177.1(3)
C8 C9 C10 C13 . -51.7(3)
C24 C18 C19 O2 . -131.9(3)
N6 C18 C19 O2 . 50.7(3)
C24 C18 C19 C20 . 103.3(3)
N6 C18 C19 C20 . -74.0(3)
O2 C19 C20 C21 . -55.1(3)
C18 C19 C20 C21 . 71.2(3)
O2 C19 C20 C22 . 64.4(3)
C18 C19 C20 C22 . -169.2(2)
O2 C19 C20 C23 . -177.7(2)
C18 C19 C20 C23 . -51.4(3)
N6 C18 C24 C25 . -176.3(2)
C19 C18 C24 C25 . 6.3(4)
C18 C24 C25 C26 . -119.7(3)
C18 C24 C25 C30 . 61.0(4)
C30 C25 C26 C27 . -4.0(4)
C24 C25 C26 C27 . 176.7(2)
C30 C25 C26 Cl4 . 177.9(2)
C24 C25 C26 Cl4 . -1.5(4)
C25 C26 C27 C28 . 0.2(4)
Cl4 C26 C27 C28 . 178.4(2)
C26 C27 C28 C29 . 3.7(4)
C26 C27 C28 Cl3 . -175.5(2)
C27 C28 C29 C30 . -3.6(4)
Cl3 C28 C29 C30 . 175.6(2)
C28 C29 C30 C25 . -0.4(4)
C26 C25 C30 C29 . 4.1(4)
C24 C25 C30 C29 . -176.6(3)
N2 C15 N1 N3 . -1.7(3)
N2 C15 N1 C8 . -179.8(2)
C14 N3 N1 C15 . 1.1(3)
C14 N3 N1 C8 . 179.4(2)
C7 C8 N1 C15 . 133.4(3)
C9 C8 N1 C15 . -50.9(4)
C7 C8 N1 N3 . -44.5(3)
C9 C8 N1 N3 . 131.1(2)
N1 C15 N2 C14 . 1.5(3)
N1 C15 N2 Co1 . -168.98(17)
N2 Co1 N2 C15 2_656 5E1(10)
N4 Co1 N2 C15 2_656 -143.4(2)
N4 Co1 N2 C15 . 36.6(2)
Cl5 Co1 N2 C15 2_656 127.4(2)
Cl5 Co1 N2 C15 . -52.6(2)
N2 Co1 N2 C14 2_656 -12E1(10)
N4 Co1 N2 C14 2_656 48.5(2)
N4 Co1 N2 C14 . -131.5(2)
Cl5 Co1 N2 C14 2_656 -40.7(2)
Cl5 Co1 N2 C14 . 139.3(2)
N1 N3 C14 N2 . -0.1(3)
C15 N2 C14 N3 . -0.8(3)
Co1 N2 C14 N3 . 169.63(19)
N6 C17 N4 C16 . -0.7(3)
N6 C17 N4 Co1 . 164.63(16)
N5 C16 N4 C17 . 0.4(4)
N5 C16 N4 Co1 . -164.3(2)
N2 Co1 N4 C17 . -66.5(2)
N2 Co1 N4 C17 2_656 113.5(2)
N4 Co1 N4 C17 2_656 15E1(10)
Cl5 Co1 N4 C17 2_656 -154.7(2)
Cl5 Co1 N4 C17 . 25.3(2)
N2 Co1 N4 C16 . 94.9(2)
N2 Co1 N4 C16 2_656 -85.1(2)
N4 Co1 N4 C16 2_656 -5E1(10)
Cl5 Co1 N4 C16 2_656 6.7(2)
Cl5 Co1 N4 C16 . -173.3(2)
N4 C16 N5 N6 . 0.1(4)
N4 C17 N6 N5 . 0.8(3)
N4 C17 N6 C18 . -173.2(2)
C16 N5 N6 C17 . -0.5(3)
C16 N5 N6 C18 . 174.0(2)
C24 C18 N6 C17 . 144.7(3)
C19 C18 N6 C17 . -37.7(4)
C24 C18 N6 N5 . -28.7(4)
C19 C18 N6 N5 . 148.9(2)
