#------------------------------------------------------------------------------
#$Date: 2021-12-10 09:34:11 +0100 (Fri 10 de Dec de 2021) $
#$Revision: 271319 $
#$URL: svn://www.crystallography.net/cod/cif/1/56/56/1565643.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_1565643
loop_
_publ_author_name
'Pu, Lu-Mei'
'Yu, Meng'
'Zhang, Yu'
'Long, Hai-Tao'
'Xu, Wei-Bing'
'Dong, Wen-Kui'
_publ_section_title
;
 Tetranuclear cobalt(II) and nickel(II) complexes with an unsymmetrical
 salamo-like ligand: Structural characterization, Hirshfeld analysis and
 fluorescent properties
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119238
_journal_paper_doi               10.1016/j.ica.2019.119238
_journal_volume                  500
_journal_year                    2020
_chemical_formula_moiety         'C21 H26 Co2 N2 O10'
_chemical_formula_sum            'C21 H26 Co2 N2 O10'
_chemical_formula_weight         584.30
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                75.073(5)
_cell_angle_beta                 86.887(4)
_cell_angle_gamma                68.260(5)
_cell_formula_units_Z            2
_cell_length_a                   9.9509(4)
_cell_length_b                   10.7756(6)
_cell_length_c                   12.2089(7)
_cell_measurement_reflns_used    3145
_cell_measurement_temperature    292.90(10)
_cell_measurement_theta_max      28.3130
_cell_measurement_theta_min      3.8440
_cell_volume                     1173.74(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      292.90(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0733
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    1.00   27.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867   57.0000   60.0000 26

#__ type_ start__ end____ width___ exp.time_
  2 omega    6.00   41.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867   57.0000  -90.0000 35

#__ type_ start__ end____ width___ exp.time_
  3 omega  -41.00   46.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -57.0000  -90.0000 87

#__ type_ start__ end____ width___ exp.time_
  4 omega  -10.00   23.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.4273  -99.0000  -60.0000 33

#__ type_ start__ end____ width___ exp.time_
  5 omega  -48.00   32.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -57.0000  150.0000 80

#__ type_ start__ end____ width___ exp.time_
  6 omega  -50.00   56.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -77.0000   60.0000 106

#__ type_ start__ end____ width___ exp.time_
  7 omega   77.00  102.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  178.0000  -90.0000 25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0049849000
_diffrn_orient_matrix_UB_12      0.0697345000
_diffrn_orient_matrix_UB_13      -0.0161411000
_diffrn_orient_matrix_UB_21      0.0311702000
_diffrn_orient_matrix_UB_22      -0.0097361000
_diffrn_orient_matrix_UB_23      -0.0522551000
_diffrn_orient_matrix_UB_31      -0.0700335000
_diffrn_orient_matrix_UB_32      0.0204068000
_diffrn_orient_matrix_UB_33      -0.0251313000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0575
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7721
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         3.46
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.473
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.558
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4616
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0390
_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)+(0.0282P)²+0.7116P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.0889
_reflns_number_gt                3853
_reflns_number_total             4616
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2020-500-119238.cif
_cod_data_source_block           w355co
_cod_original_cell_volume        1173.74(11)
_cod_database_code               1565643
_reflns_odcompleteness_completeness 99.79
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O9-H9
 0.85 with sigma of 0.01
 O10-H10
 0.85 with sigma of 0.01
 C18-H9
 1.899793 with sigma of 0.02
 Co2-H9
 2.854413 with sigma of 0.02
 C19-H10
 1.884036 with sigma of 0.02
 Co2-H10
 2.805748 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C7(H7), C10(H10A), C12(H12), C13(H13), C14(H14)
3.c Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C21(H21A,H21B,
 H21C)
;
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Co1 Co 0.66436(4) 0.65530(4) 0.28929(3) 0.01858(12) Uani 1 d . . .
Co2 Co 0.53910(4) 0.84765(4) 0.49055(3) 0.01815(12) Uani 1 d . . D
O1 O 0.8003(2) 0.7496(2) 0.25733(18) 0.0252(5) Uani 1 d . . .
O2 O 0.9139(2) 0.9384(2) 0.2224(2) 0.0333(5) Uani 1 d . . .
O3 O 0.7922(2) 0.3749(2) 0.22586(19) 0.0286(5) Uani 1 d . . .
O4 O 0.5506(2) 0.6029(2) 0.08631(17) 0.0245(5) Uani 1 d . . .
O5 O 0.5087(2) 0.81763(19) 0.33471(16) 0.0176(4) Uani 1 d . . .
O6 O 0.4437(2) 1.04930(19) 0.39539(16) 0.0218(5) Uani 1 d . . .
O7 O 0.6979(2) 0.5275(2) 0.44419(17) 0.0280(5) Uani 1 d . . .
O8 O 0.6151(2) 0.6470(2) 0.57520(17) 0.0257(5) Uani 1 d . . .
O9 O 0.7567(2) 0.8445(2) 0.43902(18) 0.0252(5) Uani 1 d . . D
H9 H 0.783(2) 0.838(3) 0.3707(10) 0.038 Uiso 1 d . . DR
O10 O 0.3264(2) 0.8800(2) 0.56070(18) 0.0242(5) Uani 1 d . . D
H10 H 0.2835(18) 0.9580(19) 0.579(2) 0.036 Uiso 1 d . . DR
N1 N 0.8134(3) 0.4992(2) 0.2225(2) 0.0219(6) Uani 1 d . . .
N2 N 0.5212(3) 0.6949(2) 0.1582(2) 0.0202(5) Uani 1 d . . .
C1 C 0.9168(3) 0.7292(3) 0.1963(2) 0.0217(6) Uani 1 d . . .
C2 C 0.9798(3) 0.8316(3) 0.1723(3) 0.0229(7) Uani 1 d . . .
C3 C 1.0961(3) 0.8214(3) 0.1051(3) 0.0274(7) Uani 1 d . . .
H3 H 1.1333 0.8912 0.0883 0.033 Uiso 1 calc . . R
C4 C 1.1586(3) 0.7053(3) 0.0618(3) 0.0287(7) Uani 1 d . . .
H4 H 1.2376 0.6979 0.0161 0.034 Uiso 1 calc . . R
C5 C 1.1035(3) 0.6029(3) 0.0867(3) 0.0271(7) Uani 1 d . . .
H5 H 1.1469 0.5254 0.0586 0.033 Uiso 1 calc . . R
C6 C 0.9828(3) 0.6123(3) 0.1538(2) 0.0218(6) Uani 1 d . . .
C7 C 0.9303(3) 0.5000(3) 0.1735(3) 0.0239(7) Uani 1 d . . .
H7 H 0.9857 0.4225 0.1486 0.029 Uiso 1 calc . . R
C8 C 0.6442(3) 0.3933(3) 0.2492(3) 0.0261(7) Uani 1 d . . .
H8A H 0.6141 0.4424 0.3080 0.031 Uiso 1 calc . . R
H8B H 0.6372 0.3032 0.2779 0.031 Uiso 1 calc . . R
C9 C 0.5423(3) 0.4721(3) 0.1463(3) 0.0256(7) Uani 1 d . . .
H9A H 0.5614 0.4141 0.0938 0.031 Uiso 1 calc . . R
H9B H 0.4440 0.4883 0.1701 0.031 Uiso 1 calc . . R
C10 C 0.4433(3) 0.8187(3) 0.1030(2) 0.0208(6) Uani 1 d . . .
H10A H 0.4101 0.8309 0.0298 0.025 Uiso 1 calc . . R
C11 C 0.4034(3) 0.9400(3) 0.1459(2) 0.0193(6) Uani 1 d . . .
C12 C 0.3262(3) 1.0691(3) 0.0702(3) 0.0236(7) Uani 1 d . . .
H12 H 0.2995 1.0723 -0.0026 0.028 Uiso 1 calc . . R
C13 C 0.2906(3) 1.1888(3) 0.1029(3) 0.0272(7) Uani 1 d . . .
H13 H 0.2400 1.2730 0.0523 0.033 Uiso 1 calc . . R
C14 C 0.3299(3) 1.1854(3) 0.2125(3) 0.0239(7) Uani 1 d . . .
H14 H 0.3067 1.2678 0.2334 0.029 Uiso 1 calc . . R
C15 C 0.4026(3) 1.0616(3) 0.2899(2) 0.0187(6) Uani 1 d . . .
C16 C 0.4394(3) 0.9352(3) 0.2569(2) 0.0167(6) Uani 1 d . . .
C17 C 0.9793(4) 1.0373(3) 0.2120(3) 0.0355(8) Uani 1 d . . .
H17A H 0.9756 1.0859 0.1337 0.053 Uiso 1 calc . . GR
H17B H 1.0785 0.9912 0.2399 0.053 Uiso 1 calc . . GR
H17C H 0.9282 1.1017 0.2555 0.053 Uiso 1 calc . . GR
C18 C 0.8807(3) 0.7566(4) 0.5130(3) 0.0404(9) Uani 1 d . . D
H18A H 0.9624 0.7811 0.4868 0.061 Uiso 1 calc . . GR
H18B H 0.9015 0.6621 0.5133 0.061 Uiso 1 calc . . GR
H18C H 0.8612 0.7677 0.5885 0.061 Uiso 1 calc . . GR
C19 C 0.2135(4) 0.8663(4) 0.5044(3) 0.0399(9) Uani 1 d . . D
H19A H 0.2063 0.9148 0.4258 0.060 Uiso 1 calc . . GR
H19B H 0.1235 0.9046 0.5387 0.060 Uiso 1 calc . . GR
H19C H 0.2342 0.7702 0.5108 0.060 Uiso 1 calc . . GR
C20 C 0.6765(3) 0.5373(3) 0.5451(2) 0.0215(7) Uani 1 d . . .
C21 C 0.7306(4) 0.4053(3) 0.6370(3) 0.0332(8) Uani 1 d . . .
H21A H 0.7421 0.4254 0.7073 0.050 Uiso 1 calc . . GR
H21B H 0.8222 0.3456 0.6176 0.050 Uiso 1 calc . . GR
H21C H 0.6621 0.3603 0.6450 0.050 Uiso 1 calc . . GR
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'
Co Co 0.3494 0.9721 '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'
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
O1 Co1 O5 92.87(8) . .
O1 Co1 O7 112.54(9) . .
O1 Co1 N1 87.25(9) . .
O1 Co1 N2 115.88(9) . .
O5 Co1 N1 173.08(8) . .
O5 Co1 N2 85.50(9) . .
O7 Co1 O5 95.14(8) . .
O7 Co1 N1 91.20(9) . .
O7 Co1 N2 131.49(9) . .
N2 Co1 N1 88.21(9) . .
O5 Co2 O9 88.09(8) . .
O5 Co2 O10 101.85(8) . .
O6 Co2 O5 79.00(7) . .
O6 Co2 O5 157.90(8) 2_676 .
O6 Co2 O6 79.83(8) 2_676 .
O6 Co2 O9 86.05(8) 2_676 .
O6 Co2 O9 91.13(8) . .
O6 Co2 O10 84.77(8) . .
O6 Co2 O10 82.42(8) 2_676 .
O8 Co2 O5 96.43(8) . .
O8 Co2 O6 105.16(8) . 2_676
O8 Co2 O6 173.61(8) . .
O8 Co2 O9 93.18(8) . .
O8 Co2 O10 91.88(8) . .
O10 Co2 O9 168.27(8) . .
C1 O1 Co1 131.72(19) . .
C2 O2 C17 117.4(2) . .
N1 O3 C8 109.2(2) . .
N2 O4 C9 111.5(2) . .
Co1 O5 Co2 117.01(9) . .
C16 O5 Co1 120.79(17) . .
C16 O5 Co2 113.26(17) . .
Co2 O6 Co2 100.17(8) 2_676 .
C15 O6 Co2 114.22(17) . .
C15 O6 Co2 145.54(18) . 2_676
C20 O7 Co1 137.3(2) . .
C20 O8 Co2 133.33(19) . .
Co2 O9 H9 118.9(14) . .
C18 O9 Co2 119.7(2) . .
C18 O9 H9 106.1(14) . .
Co2 O10 H10 116.1(14) . .
C19 O10 Co2 122.1(2) . .
C19 O10 H10 103.2(13) . .
O3 N1 Co1 121.84(18) . .
C7 N1 Co1 127.5(2) . .
C7 N1 O3 110.7(2) . .
O4 N2 Co1 120.49(16) . .
C10 N2 Co1 122.4(2) . .
C10 N2 O4 110.1(2) . .
O1 C1 C2 118.1(3) . .
O1 C1 C6 124.1(3) . .
C6 C1 C2 117.8(3) . .
O2 C2 C1 114.0(3) . .
C3 C2 O2 124.3(3) . .
C3 C2 C1 121.6(3) . .
C2 C3 H3 120.2 . .
C2 C3 C4 119.7(3) . .
C4 C3 H3 120.2 . .
C3 C4 H4 120.0 . .
C5 C4 C3 120.0(3) . .
C5 C4 H4 120.0 . .
C4 C5 H5 119.4 . .
C4 C5 C6 121.3(3) . .
C6 C5 H5 119.4 . .
C1 C6 C7 123.1(3) . .
C5 C6 C1 119.5(3) . .
C5 C6 C7 117.3(3) . .
N1 C7 C6 125.0(3) . .
N1 C7 H7 117.5 . .
C6 C7 H7 117.5 . .
O3 C8 H8A 109.0 . .
O3 C8 H8B 109.0 . .
O3 C8 C9 113.1(2) . .
H8A C8 H8B 107.8 . .
C9 C8 H8A 109.0 . .
C9 C8 H8B 109.0 . .
O4 C9 C8 115.9(2) . .
O4 C9 H9A 108.3 . .
O4 C9 H9B 108.3 . .
C8 C9 H9A 108.3 . .
C8 C9 H9B 108.3 . .
H9A C9 H9B 107.4 . .
N2 C10 H10A 117.4 . .
N2 C10 C11 125.2(3) . .
C11 C10 H10A 117.4 . .
C12 C11 C10 117.3(3) . .
C16 C11 C10 123.3(3) . .
C16 C11 C12 119.5(3) . .
C11 C12 H12 119.7 . .
C13 C12 C11 120.7(3) . .
C13 C12 H12 119.7 . .
C12 C13 H13 119.9 . .
C12 C13 C14 120.3(3) . .
C14 C13 H13 119.9 . .
C13 C14 H14 119.5 . .
C15 C14 C13 121.0(3) . .
C15 C14 H14 119.5 . .
O6 C15 C14 124.7(3) . .
O6 C15 C16 116.0(2) . .
C14 C15 C16 119.3(3) . .
O5 C16 C11 123.4(3) . .
O5 C16 C15 117.4(2) . .
C11 C16 C15 119.3(2) . .
O2 C17 H17A 109.5 . .
O2 C17 H17B 109.5 . .
O2 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
O9 C18 H18A 109.5 . .
O9 C18 H18B 109.5 . .
O9 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O10 C19 H19A 109.5 . .
O10 C19 H19B 109.5 . .
O10 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
O7 C20 C21 116.8(3) . .
O8 C20 O7 125.9(3) . .
O8 C20 C21 117.3(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21B 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.943(2) .
Co1 O5 2.0411(19) .
Co1 O7 1.993(2) .
Co1 N1 2.103(2) .
Co1 N2 2.054(2) .
Co2 O5 2.0661(19) .
Co2 O6 2.0408(19) 2_676
Co2 O6 2.0648(19) .
Co2 O8 2.010(2) .
Co2 O9 2.212(2) .
Co2 O10 2.178(2) .
O1 C1 1.322(3) .
O2 C2 1.373(4) .
O2 C17 1.419(4) .
O3 N1 1.421(3) .
O3 C8 1.434(4) .
O4 N2 1.430(3) .
O4 C9 1.441(3) .
O5 C16 1.337(3) .
O6 Co2 2.0407(19) 2_676
O6 C15 1.332(3) .
O7 C20 1.264(3) .
O8 C20 1.253(3) .
O9 H9 0.873(9) .
O9 C18 1.432(4) .
O10 H10 0.874(9) .
O10 C19 1.420(4) .
N1 C7 1.280(4) .
N2 C10 1.290(4) .
C1 C2 1.422(4) .
C1 C6 1.406(4) .
C2 C3 1.368(4) .
C3 H3 0.9300 .
C3 C4 1.400(4) .
C4 H4 0.9300 .
C4 C5 1.367(4) .
C5 H5 0.9300 .
C5 C6 1.404(4) .
C6 C7 1.449(4) .
C7 H7 0.9300 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 C9 1.509(4) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9300 .
C10 C11 1.445(4) .
C11 C12 1.415(4) .
C11 C16 1.404(4) .
C12 H12 0.9300 .
C12 C13 1.365(4) .
C13 H13 0.9300 .
C13 C14 1.402(4) .
C14 H14 0.9300 .
C14 C15 1.381(4) .
C15 C16 1.430(4) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.499(4) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
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
Co1 O1 C1 C2 168.87(19) . . . .
Co1 O1 C1 C6 -11.3(4) . . . .
Co1 O5 C16 C11 35.4(3) . . . .
Co1 O5 C16 C15 -143.8(2) . . . .
Co1 O7 C20 O8 3.0(5) . . . .
Co1 O7 C20 C21 -176.6(2) . . . .
Co1 N1 C7 C6 -0.3(4) . . . .
Co1 N2 C10 C11 -23.8(4) . . . .
Co2 O5 C16 C11 -178.3(2) . . . .
Co2 O5 C16 C15 2.4(3) . . . .
Co2 O6 C15 C14 -7.4(5) 2_676 . . .
Co2 O6 C15 C14 176.5(2) . . . .
Co2 O6 C15 C16 172.0(2) 2_676 . . .
Co2 O6 C15 C16 -4.1(3) . . . .
Co2 O8 C20 O7 -5.3(5) . . . .
Co2 O8 C20 C21 174.3(2) . . . .
O1 Co1 O5 Co2 -74.36(11) . . . .
O1 Co1 O5 C16 70.68(19) . . . .
O1 Co1 O7 C20 74.6(3) . . . .
O1 Co1 N1 O3 174.33(19) . . . .
O1 Co1 N1 C7 -6.7(3) . . . .
O1 Co1 N2 O4 96.47(19) . . . .
O1 Co1 N2 C10 -51.3(3) . . . .
O1 C1 C2 O2 3.5(4) . . . .
O1 C1 C2 C3 -176.7(3) . . . .
O1 C1 C6 C5 177.9(3) . . . .
O1 C1 C6 C7 -0.6(4) . . . .
O2 C2 C3 C4 177.5(3) . . . .
O3 N1 C7 C6 178.7(2) . . . .
O3 C8 C9 O4 -52.5(4) . . . .
O4 N2 C10 C11 -174.5(3) . . . .
O5 Co1 O1 C1 -160.4(2) . . . .
O5 Co1 O7 C20 -20.7(3) . . . .
O5 Co1 N2 O4 -172.52(19) . . . .
O5 Co1 N2 C10 39.7(2) . . . .
O5 Co2 O6 Co2 -173.61(10) . . . 2_676
O5 Co2 O6 C15 4.14(18) . . . .
O5 Co2 O8 C20 24.2(3) . . . .
O5 Co2 O9 C18 -129.4(2) . . . .
O5 Co2 O10 C19 5.1(2) . . . .
O6 Co2 O5 Co1 144.12(11) . . . .
O6 Co2 O5 Co1 127.20(19) 2_676 . . .
O6 Co2 O5 C16 -3.49(17) . . . .
O6 Co2 O5 C16 -20.4(3) 2_676 . . .
O6 Co2 O6 Co2 0.001(2) 2_676 . . 2_676
O6 Co2 O6 C15 177.8(2) 2_676 . . .
O6 Co2 O8 C20 -151.0(3) 2_676 . . .
O6 Co2 O9 C18 71.9(2) 2_676 . . .
O6 Co2 O9 C18 151.6(2) . . . .
O6 Co2 O10 C19 163.1(2) 2_676 . . .
O6 Co2 O10 C19 82.7(2) . . . .
O6 C15 C16 O5 1.1(4) . . . .
O6 C15 C16 C11 -178.2(2) . . . .
O7 Co1 O1 C1 102.8(3) . . . .
O7 Co1 O5 Co2 38.59(11) . . . .
O7 Co1 O5 C16 -176.37(19) . . . .
O7 Co1 N1 O3 61.82(19) . . . .
O7 Co1 N1 C7 -119.3(3) . . . .
O7 Co1 N2 O4 -79.6(2) . . . .
O7 Co1 N2 C10 132.6(2) . . . .
O8 Co2 O5 Co1 -40.39(11) . . . .
O8 Co2 O5 C16 172.00(18) . . . .
O8 Co2 O9 C18 -33.1(2) . . . .
O8 Co2 O10 C19 -91.9(2) . . . .
O9 Co2 O5 Co1 52.59(10) . . . .
O9 Co2 O5 C16 -95.01(18) . . . .
O9 Co2 O6 Co2 -85.78(9) . . . 2_676
O9 Co2 O6 C15 91.98(19) . . . .
O9 Co2 O8 C20 -64.2(3) . . . .
O9 Co2 O10 C19 152.6(4) . . . .
O10 Co2 O5 Co1 -133.68(10) . . . .
O10 Co2 O5 C16 78.71(18) . . . .
O10 Co2 O6 Co2 83.21(9) . . . 2_676
O10 Co2 O6 C15 -99.03(19) . . . .
O10 Co2 O8 C20 126.4(3) . . . .
O10 Co2 O9 C18 82.4(5) . . . .
N1 Co1 O1 C1 12.6(3) . . . .
N1 Co1 O7 C20 162.1(3) . . . .
N1 Co1 N2 O4 10.39(19) . . . .
N1 Co1 N2 C10 -137.4(3) . . . .
N1 O3 C8 C9 78.8(3) . . . .
N2 Co1 O1 C1 -74.0(3) . . . .
N2 Co1 O5 Co2 169.89(11) . . . .
N2 Co1 O5 C16 -45.07(19) . . . .
N2 Co1 O7 C20 -109.2(3) . . . .
N2 Co1 N1 O3 -69.65(19) . . . .
N2 Co1 N1 C7 109.3(3) . . . .
N2 O4 C9 C8 -59.0(3) . . . .
N2 C10 C11 C12 175.4(3) . . . .
N2 C10 C11 C16 -3.6(5) . . . .
C1 C2 C3 C4 -2.3(4) . . . .
C1 C6 C7 N1 6.0(5) . . . .
C2 C1 C6 C5 -2.3(4) . . . .
C2 C1 C6 C7 179.3(3) . . . .
C2 C3 C4 C5 0.0(5) . . . .
C3 C4 C5 C6 1.1(5) . . . .
C4 C5 C6 C1 0.1(4) . . . .
C4 C5 C6 C7 178.6(3) . . . .
C5 C6 C7 N1 -172.4(3) . . . .
C6 C1 C2 O2 -176.4(2) . . . .
C6 C1 C2 C3 3.4(4) . . . .
C8 O3 N1 Co1 16.1(3) . . . .
C8 O3 N1 C7 -163.0(2) . . . .
C9 O4 N2 Co1 68.7(3) . . . .
C9 O4 N2 C10 -140.0(2) . . . .
C10 C11 C12 C13 -177.0(3) . . . .
C10 C11 C16 O5 -2.8(4) . . . .
C10 C11 C16 C15 176.4(3) . . . .
C11 C12 C13 C14 -0.1(5) . . . .
C12 C11 C16 O5 178.2(3) . . . .
C12 C11 C16 C15 -2.6(4) . . . .
C12 C13 C14 C15 -1.3(5) . . . .
C13 C14 C15 O6 -180.0(3) . . . .
C13 C14 C15 C16 0.7(4) . . . .
C14 C15 C16 O5 -179.5(3) . . . .
C14 C15 C16 C11 1.3(4) . . . .
C16 C11 C12 C13 2.1(4) . . . .
C17 O2 C2 C1 173.7(3) . . . .
C17 O2 C2 C3 -6.0(4) . . . .
