#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:06:36 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229256 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/61/7046160.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_7046160
loop_
_publ_author_name
'Gu, Jin-Zhong'
'Cai, Yan'
'Qian, Zi-Yue'
'Wen, Min'
'Shi, Zi-Fa'
'Lv, Dong-Yu'
'Kirillov, Alexander M.'
_publ_section_title
;
 A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by
 an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly,
 structural features and properties.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7431
_journal_page_last               7444
_journal_paper_doi               10.1039/c8dt01299g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C60 H76 Co3 N8 O36'
_chemical_formula_weight         1662.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-12-06 deposited with the CCDC.
2018-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                104.592(5)
_cell_angle_beta                 109.891(5)
_cell_angle_gamma                104.632(5)
_cell_formula_units_Z            1
_cell_length_a                   11.7676(6)
_cell_length_b                   12.7588(7)
_cell_length_c                   14.2231(7)
_cell_measurement_reflns_used    11272
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.047
_cell_measurement_theta_min      3.281
_cell_volume                     1804.0(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APE-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_unetI/netI     0.0695
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11272
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.047
_diffrn_reflns_theta_max         25.047
_diffrn_reflns_theta_min         3.281
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  0.835
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_description       block
_exptl_crystal_F_000             861
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.240
_exptl_transmission_factor_max   0.829
_exptl_transmission_factor_min   0.804
_refine_diff_density_max         0.457
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         6358
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0818
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0633P)²+4.3420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1467
_refine_ls_wR_factor_ref         0.1656
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4798
_reflns_number_total             6358
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01299g2.cif
_cod_data_source_block           334-6Co
_cod_depositor_comments
'Adding full bibliography for 7046153--7046164.cif.'
_cod_original_cell_volume        1803.99(18)
_cod_database_code               7046160
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.811
_shelx_estimated_absorpt_t_max   0.835
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co1 Co 0.21636(6) 0.76763(5) 0.28912(5) 0.02126(18) Uani 1 1 d . . .
Co2 Co 0.5000 0.5000 0.0000 0.0377(3) Uani 1 2 d S . P
N1 N 0.1514(5) 1.1172(4) 0.0978(4) 0.0432(12) Uani 1 1 d . . .
N2 N 0.3238(4) 0.8859(3) 0.2338(3) 0.0270(9) Uani 1 1 d . . .
N3 N 0.7902(4) 1.2613(4) 0.1341(4) 0.0428(11) Uani 1 1 d . . .
N4 N 0.1272(4) 0.6550(3) 0.3592(3) 0.0297(9) Uani 1 1 d . . .
O1 O -0.0855(3) 0.7698(3) 0.1729(3) 0.0320(8) Uani 1 1 d . . .
O2 O 0.1085(3) 0.8717(3) 0.3132(2) 0.0253(7) Uani 1 1 d . . .
O3 O -0.4222(3) 0.7552(3) 0.3182(3) 0.0304(8) Uani 1 1 d . . .
O4 O -0.4021(3) 0.9170(3) 0.4391(3) 0.0325(8) Uani 1 1 d . . .
O5 O 0.3473(4) 1.3187(4) 0.1731(3) 0.0497(10) Uani 1 1 d . . .
O6 O 0.4853(4) 1.3887(4) 0.3468(3) 0.0626(13) Uani 1 1 d . . .
O7 O 0.2126(6) 1.0617(5) 0.0717(4) 0.0775(15) Uani 1 1 d . . .
O8 O 0.0706(5) 1.1395(5) 0.0361(3) 0.0694(14) Uani 1 1 d . . .
O9 O 0.3646(3) 0.8621(3) 0.4441(2) 0.0271(7) Uani 1 1 d . . .
H1W H 0.4354 0.8772 0.4418 0.032 Uiso 1 1 d R U .
H2W H 0.3764 0.9310 0.4805 0.032 Uiso 1 1 d R U .
O10 O 0.0644(3) 0.6581(3) 0.1352(2) 0.0290(7) Uani 1 1 d . . .
H3W H 0.0052 0.6829 0.1226 0.035 Uiso 1 1 d R U .
H4W H 0.0622 0.6397 0.0727 0.035 Uiso 1 1 d R U .
O11 O 0.3241(3) 0.6639(3) 0.2713(3) 0.0331(8) Uani 1 1 d . . .
H5W H 0.2781 0.6033 0.2186 0.040 Uiso 1 1 d R U .
H6W H 0.4043 0.6929 0.2861 0.040 Uiso 1 1 d R U .
O12 O 0.5161(4) 0.4486(3) 0.1249(3) 0.0517(10) Uani 1 1 d . . .
H7W H 0.5727 0.5013 0.1809 0.062 Uiso 1 1 d R U .
H8W H 0.4618 0.4069 0.1404 0.062 Uiso 1 1 d R U .
O13 O 0.7083(4) 0.5480(3) 0.0518(3) 0.0502(10) Uani 1 1 d . . .
H9W H 0.6521 0.5183 0.0724 0.060 Uiso 1 1 d R U .
H10W H 0.7694 0.6133 0.0971 0.060 Uiso 1 1 d R U .
O14 O 0.5275(4) 0.6668(3) 0.0953(3) 0.0511(10) Uani 1 1 d . . .
H11W H 0.5763 0.7166 0.0852 0.061 Uiso 1 1 d R U .
H12W H 0.5432 0.6934 0.1601 0.061 Uiso 1 1 d R U .
O15 O 0.6952(4) 0.8108(4) 0.0544(3) 0.0525(11) Uani 1 1 d . . .
H13W H 0.7209 0.8486 0.0185 0.063 Uiso 1 1 d R U .
H14W H 0.7611 0.7982 0.0903 0.063 Uiso 1 1 d R U .
O16 O 0.7968(4) 0.5520(3) 0.8913(3) 0.0503(10) Uani 1 1 d . . .
H15W H 0.7706 0.5500 0.9394 0.060 Uiso 1 1 d R U .
H16W H 0.7527 0.5915 0.8708 0.060 Uiso 1 1 d R U .
O17 O 0.3464(4) 0.4318(3) 0.6639(3) 0.0479(10) Uani 1 1 d . . .
H17W H 0.3697 0.3750 0.6697 0.057 Uiso 1 1 d R U .
H18W H 0.3978 0.4892 0.6599 0.057 Uiso 1 1 d R U .
O18 O 0.0576(4) 0.5997(3) 0.9329(3) 0.0474(10) Uani 1 1 d . . .
H19W H 0.1036 0.6423 0.9133 0.057 Uiso 1 1 d R U .
H20W H 0.0228 0.5262 0.9137 0.057 Uiso 1 1 d R U .
C1 C -0.0100(4) 0.8515(4) 0.2626(4) 0.0220(9) Uani 1 1 d . . .
C2 C -0.0702(4) 0.9244(4) 0.3149(3) 0.0209(9) Uani 1 1 d . . .
C3 C -0.1810(4) 0.8672(4) 0.3234(4) 0.0239(10) Uani 1 1 d . . .
H3 H -0.2169 0.7861 0.2942 0.029 Uiso 1 1 calc R U .
C4 C -0.2401(4) 0.9271(4) 0.3741(3) 0.0228(10) Uani 1 1 d . . .
C5 C -0.3634(4) 0.8621(4) 0.3781(3) 0.0218(9) Uani 1 1 d . . .
C6 C -0.1847(5) 1.0481(4) 0.4185(4) 0.0303(11) Uani 1 1 d . . .
H6 H -0.2209 1.0899 0.4553 0.036 Uiso 1 1 calc R U .
C7 C -0.0763(5) 1.1068(4) 0.4084(4) 0.0309(11) Uani 1 1 d . . .
H7 H -0.0412 1.1879 0.4376 0.037 Uiso 1 1 calc R U .
C8 C -0.0184(4) 1.0469(4) 0.3552(3) 0.0245(10) Uani 1 1 d . . .
C9 C 0.0880(4) 1.1152(4) 0.3360(4) 0.0241(10) Uani 1 1 d . . .
C10 C 0.0777(5) 1.0853(4) 0.2308(4) 0.0289(10) Uani 1 1 d . . .
H10A H 0.0091 1.0203 0.1749 0.035 Uiso 1 1 calc R U .
C11 C 0.1716(5) 1.1546(4) 0.2124(4) 0.0291(11) Uani 1 1 d . . .
C12 C 0.2768(5) 1.2508(4) 0.2913(4) 0.0318(11) Uani 1 1 d . . .
C13 C 0.3791(5) 1.3268(5) 0.2698(5) 0.0395(13) Uani 1 1 d . . .
C14 C 0.2853(5) 1.2783(5) 0.3952(4) 0.0383(12) Uani 1 1 d . . .
H14A H 0.3553 1.3422 0.4513 0.046 Uiso 1 1 calc R U .
C15 C 0.1911(5) 1.2117(4) 0.4162(4) 0.0338(12) Uani 1 1 d . . .
H15 H 0.1978 1.2328 0.4860 0.041 Uiso 1 1 calc R U .
C16 C 0.3622(5) 0.8466(4) 0.1578(4) 0.0314(11) Uani 1 1 d . . .
H16 H 0.3256 0.7671 0.1167 0.038 Uiso 1 1 calc R U .
C17 C 0.4528(5) 0.9175(4) 0.1372(4) 0.0324(11) Uani 1 1 d . . .
H17 H 0.4759 0.8855 0.0834 0.039 Uiso 1 1 calc R U .
C18 C 0.5088(5) 1.0350(4) 0.1959(4) 0.0295(11) Uani 1 1 d . . .
C19 C 0.4691(5) 1.0777(4) 0.2751(4) 0.0306(11) Uani 1 1 d . . .
H19 H 0.5042 1.1569 0.3170 0.037 Uiso 1 1 calc R U .
C20 C 0.3778(5) 1.0011(4) 0.2901(4) 0.0315(11) Uani 1 1 d . . .
H20 H 0.3518 1.0311 0.3425 0.038 Uiso 1 1 calc R U .
C21 C 0.6085(5) 1.1148(4) 0.1768(4) 0.0301(11) Uani 1 1 d . . .
C22 C 0.6967(5) 1.0781(5) 0.1464(4) 0.0398(13) Uani 1 1 d . . .
H22 H 0.6967 1.0037 0.1398 0.048 Uiso 1 1 calc R U .
C23 C 0.7846(5) 1.1535(5) 0.1262(5) 0.0458(14) Uani 1 1 d . . .
H23 H 0.8429 1.1275 0.1059 0.055 Uiso 1 1 calc R U .
C24 C 0.7059(6) 1.2954(5) 0.1634(5) 0.0501(15) Uani 1 1 d . . .
H24 H 0.7084 1.3704 0.1697 0.060 Uiso 1 1 calc R U .
C25 C 0.6147(6) 1.2267(5) 0.1850(5) 0.0449(14) Uani 1 1 d . . .
H25 H 0.5576 1.2553 0.2049 0.054 Uiso 1 1 calc R U .
C26 C 0.2015(5) 0.6239(6) 0.4322(5) 0.0522(17) Uani 1 1 d . . .
H26 H 0.2891 0.6448 0.4469 0.063 Uiso 1 1 calc R U .
C27 C 0.1562(5) 0.5625(6) 0.4877(5) 0.0562(18) Uani 1 1 d . . .
H27 H 0.2125 0.5416 0.5367 0.067 Uiso 1 1 calc R U .
C28 C 0.0263(5) 0.5318(4) 0.4701(4) 0.0314(11) Uani 1 1 d . . .
C29 C -0.0500(5) 0.5648(4) 0.3951(4) 0.0352(12) Uani 1 1 d . . .
H29 H -0.1374 0.5473 0.3802 0.042 Uiso 1 1 calc R U .
C30 C 0.0028(5) 0.6236(5) 0.3418(4) 0.0362(12) Uani 1 1 d . . .
H30 H -0.0523 0.6427 0.2902 0.043 Uiso 1 1 calc R U .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O11 Co1 O9 86.47(13) . .
O11 Co1 O2 177.64(12) . .
O9 Co1 O2 91.97(12) . .
O11 Co1 O10 90.54(13) . .
O9 Co1 O10 174.81(12) . .
O2 Co1 O10 90.88(12) . .
O11 Co1 N2 89.65(13) . .
O9 Co1 N2 88.01(13) . .
O2 Co1 N2 92.07(13) . .
O10 Co1 N2 96.22(13) . .
O11 Co1 N4 88.13(14) . .
O9 Co1 N4 86.52(13) . .
O2 Co1 N4 90.01(13) . .
O10 Co1 N4 89.15(14) . .
N2 Co1 N4 174.21(15) . .
O12 Co2 O12 180.0 . 2_665
O12 Co2 O14 89.81(16) . .
O12 Co2 O14 90.18(16) 2_665 .
O12 Co2 O14 90.18(16) . 2_665
O12 Co2 O14 89.82(16) 2_665 2_665
O14 Co2 O14 180.0 . 2_665
O12 Co2 O13 90.88(16) . 2_665
O12 Co2 O13 89.12(16) 2_665 2_665
O14 Co2 O13 88.88(15) . 2_665
O14 Co2 O13 91.12(15) 2_665 2_665
O12 Co2 O13 89.12(16) . .
O12 Co2 O13 90.88(16) 2_665 .
O14 Co2 O13 91.12(15) . .
O14 Co2 O13 88.88(15) 2_665 .
O13 Co2 O13 180.0(2) 2_665 .
O12 Co2 H9W 68.5 . .
O12 Co2 H9W 111.5 2_665 .
O14 Co2 H9W 91.4 . .
O14 Co2 H9W 88.6 2_665 .
O13 Co2 H9W 159.4 2_665 .
O13 Co2 H9W 20.6 . .
O8 N1 O7 124.1(5) . .
O8 N1 C11 117.7(5) . .
O7 N1 C11 118.1(5) . .
C16 N2 C20 116.1(4) . .
C16 N2 Co1 121.8(3) . .
C20 N2 Co1 120.5(3) . .
C24 N3 C23 116.6(4) . .
C26 N4 C30 115.5(4) . .
C26 N4 Co1 119.8(3) . .
C30 N4 Co1 124.3(3) . .
C1 O2 Co1 129.7(3) . .
Co1 O9 H1W 109.6 . .
Co1 O9 H2W 122.7 . .
H1W O9 H2W 97.2 . .
Co1 O10 H3W 109.4 . .
Co1 O10 H4W 131.9 . .
H3W O10 H4W 97.2 . .
Co1 O11 H5W 109.6 . .
Co1 O11 H6W 122.0 . .
H5W O11 H6W 118.3 . .
Co2 O12 H7W 109.6 . .
Co2 O12 H8W 133.9 . .
H7W O12 H8W 108.2 . .
Co2 O13 H9W 43.0 . .
Co2 O13 H10W 128.0 . .
H9W O13 H10W 116.0 . .
Co2 O14 H11W 110.2 . .
Co2 O14 H12W 129.5 . .
H11W O14 H12W 106.7 . .
H13W O15 H14W 104.8 . .
H15W O16 H16W 91.2 . .
H17W O17 H18W 118.6 . .
H19W O18 H20W 133.5 . .
O2 C1 O1 124.9(4) . .
O2 C1 C2 118.2(4) . .
O1 C1 C2 116.8(4) . .
C3 C2 C8 119.2(4) . .
C3 C2 C1 118.0(4) . .
C8 C2 C1 122.8(4) . .
C4 C3 C2 122.0(4) . .
C4 C3 H3 119.0 . .
C2 C3 H3 119.0 . .
C3 C4 C6 118.4(4) . .
C3 C4 C5 120.5(4) . .
C6 C4 C5 121.1(4) . .
O4 C5 O3 124.2(4) . .
O4 C5 C4 118.4(4) . .
O3 C5 C4 117.4(4) . .
C7 C6 C4 120.5(4) . .
C7 C6 H6 119.8 . .
C4 C6 H6 119.8 . .
C6 C7 C8 121.3(4) . .
C6 C7 H7 119.4 . .
C8 C7 H7 119.4 . .
C7 C8 C2 118.5(4) . .
C7 C8 C9 118.4(4) . .
C2 C8 C9 122.9(4) . .
C15 C9 C10 118.9(4) . .
C15 C9 C8 122.1(4) . .
C10 C9 C8 118.7(4) . .
C11 C10 C9 118.3(4) . .
C11 C10 H10A 120.8 . .
C9 C10 H10A 120.8 . .
C10 C11 C12 124.0(4) . .
C10 C11 N1 114.5(4) . .
C12 C11 N1 121.4(4) . .
C11 C12 C14 116.5(4) . .
C11 C12 C13 123.5(4) . .
C14 C12 C13 119.9(5) . .
O6 C13 O5 126.3(5) . .
O6 C13 C12 117.5(5) . .
O5 C13 C12 116.2(5) . .
C15 C14 C12 120.9(5) . .
C15 C14 H14A 119.5 . .
C12 C14 H14A 119.5 . .
C9 C15 C14 121.2(4) . .
C9 C15 H15 119.4 . .
C14 C15 H15 119.4 . .
N2 C16 C17 123.6(5) . .
N2 C16 H16 118.2 . .
C17 C16 H16 118.2 . .
C18 C17 C16 119.9(5) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 117.2(4) . .
C17 C18 C21 121.6(4) . .
C19 C18 C21 121.2(4) . .
C20 C19 C18 119.1(5) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
N2 C20 C19 123.9(4) . .
N2 C20 H20 118.0 . .
C19 C20 H20 118.0 . .
C25 C21 C22 117.0(4) . .
C25 C21 C18 121.8(4) . .
C22 C21 C18 121.2(4) . .
C23 C22 C21 119.3(5) . .
C23 C22 H22 120.3 . .
C21 C22 H22 120.3 . .
N3 C23 C22 123.6(5) . .
N3 C23 H23 118.2 . .
C22 C23 H23 118.2 . .
N3 C24 C25 124.1(5) . .
N3 C24 H24 118.0 . .
C25 C24 H24 118.0 . .
C24 C25 C21 119.5(5) . .
C24 C25 H25 120.3 . .
C21 C25 H25 120.3 . .
N4 C26 C27 123.9(5) . .
N4 C26 H26 118.1 . .
C27 C26 H26 118.1 . .
C26 C27 C28 120.0(5) . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C29 C28 C27 116.0(4) . .
C29 C28 C28 122.0(5) . 2_566
C27 C28 C28 122.0(6) . 2_566
C28 C29 C30 120.1(4) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
N4 C30 C29 124.5(5) . .
N4 C30 H30 117.7 . .
C29 C30 H30 117.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O11 2.079(3) .
Co1 O9 2.083(3) .
Co1 O2 2.100(3) .
Co1 O10 2.115(3) .
Co1 N2 2.193(4) .
Co1 N4 2.197(4) .
Co2 O12 2.011(4) .
Co2 O12 2.011(4) 2_665
Co2 O14 2.091(4) .
Co2 O14 2.091(4) 2_665
Co2 O13 2.171(4) 2_665
Co2 O13 2.171(4) .
Co2 H9W 1.6530 .
N1 O8 1.205(6) .
N1 O7 1.210(6) .
N1 C11 1.492(6) .
N2 C16 1.340(6) .
N2 C20 1.340(6) .
N3 C24 1.325(7) .
N3 C23 1.334(7) .
N4 C26 1.329(6) .
N4 C30 1.332(6) .
O1 C1 1.263(5) .
O2 C1 1.254(5) .
O3 C5 1.265(5) .
O4 C5 1.255(5) .
O5 C13 1.264(6) .
O6 C13 1.233(7) .
O9 H1W 0.8200 .
O9 H2W 0.8495 .
O10 H3W 0.8200 .
O10 H4W 0.8503 .
O11 H5W 0.8200 .
O11 H6W 0.8489 .
O12 H7W 0.8200 .
O12 H8W 0.8500 .
O13 H9W 0.8537 .
O13 H10W 0.8589 .
O14 H11W 0.8200 .
O14 H12W 0.8332 .
O15 H13W 0.8608 .
O15 H14W 0.8501 .
O16 H15W 0.8443 .
O16 H16W 0.8431 .
O17 H17W 0.8499 .
O17 H18W 0.8520 .
O18 H19W 0.8349 .
O18 H20W 0.8500 .
C1 C2 1.504(6) .
C2 C3 1.386(6) .
C2 C8 1.404(6) .
C3 C4 1.385(6) .
C3 H3 0.9300 .
C4 C6 1.388(6) .
C4 C5 1.506(6) .
C6 C7 1.380(6) .
C6 H6 0.9300 .
C7 C8 1.394(6) .
C7 H7 0.9300 .
C8 C9 1.485(6) .
C9 C15 1.373(7) .
C9 C10 1.401(6) .
C10 C11 1.375(6) .
C10 H10A 0.9300 .
C11 C12 1.376(7) .
C12 C14 1.392(7) .
C12 C13 1.515(7) .
C14 C15 1.385(7) .
C14 H14A 0.9300 .
C15 H15 0.9300 .
C16 C17 1.379(6) .
C16 H16 0.9300 .
C17 C18 1.369(7) .
C17 H17 0.9300 .
C18 C19 1.400(6) .
C18 C21 1.497(6) .
C19 C20 1.373(6) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C25 1.385(7) .
C21 C22 1.388(7) .
C22 C23 1.386(7) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.379(7) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 C27 1.381(7) .
C26 H26 0.9300 .
C27 C28 1.394(7) .
C27 H27 0.9300 .
C28 C29 1.374(7) .
C28 C28 1.488(8) 2_566
C29 C30 1.376(6) .
C29 H29 0.9300 .
C30 H30 0.9300 .
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_4
Co1 O2 C1 O1 -13.0(6) . .
Co1 O2 C1 C2 162.8(3) . .
O2 C1 C2 C3 -126.6(4) . .
O1 C1 C2 C3 49.6(6) . .
O2 C1 C2 C8 53.1(6) . .
O1 C1 C2 C8 -130.7(5) . .
C8 C2 C3 C4 -2.4(7) . .
C1 C2 C3 C4 177.4(4) . .
C2 C3 C4 C6 -0.8(7) . .
C2 C3 C4 C5 177.6(4) . .
C3 C4 C5 O4 168.6(4) . .
C6 C4 C5 O4 -13.1(7) . .
C3 C4 C5 O3 -12.2(6) . .
C6 C4 C5 O3 166.1(4) . .
C3 C4 C6 C7 2.4(7) . .
C5 C4 C6 C7 -175.9(4) . .
C4 C6 C7 C8 -1.0(8) . .
C6 C7 C8 C2 -2.1(7) . .
C6 C7 C8 C9 172.9(4) . .
C3 C2 C8 C7 3.8(7) . .
C1 C2 C8 C7 -175.9(4) . .
C3 C2 C8 C9 -171.0(4) . .
C1 C2 C8 C9 9.3(7) . .
C7 C8 C9 C15 48.9(7) . .
C2 C8 C9 C15 -136.3(5) . .
C7 C8 C9 C10 -126.3(5) . .
C2 C8 C9 C10 48.5(6) . .
C15 C9 C10 C11 -0.3(7) . .
C8 C9 C10 C11 175.0(4) . .
C9 C10 C11 C12 1.2(7) . .
C9 C10 C11 N1 -179.0(4) . .
O8 N1 C11 C10 77.2(6) . .
O7 N1 C11 C10 -99.4(6) . .
O8 N1 C11 C12 -103.1(6) . .
O7 N1 C11 C12 80.3(6) . .
C10 C11 C12 C14 -0.8(8) . .
N1 C11 C12 C14 179.5(5) . .
C10 C11 C12 C13 -179.6(5) . .
N1 C11 C12 C13 0.7(8) . .
C11 C12 C13 O6 -160.1(5) . .
C14 C12 C13 O6 21.2(8) . .
C11 C12 C13 O5 18.7(8) . .
C14 C12 C13 O5 -160.0(5) . .
C11 C12 C14 C15 -0.5(8) . .
C13 C12 C14 C15 178.3(5) . .
C10 C9 C15 C14 -1.0(8) . .
C8 C9 C15 C14 -176.2(5) . .
C12 C14 C15 C9 1.5(8) . .
C20 N2 C16 C17 0.8(7) . .
Co1 N2 C16 C17 -165.3(4) . .
N2 C16 C17 C18 0.0(8) . .
C16 C17 C18 C19 -0.5(7) . .
C16 C17 C18 C21 179.4(5) . .
C17 C18 C19 C20 0.2(7) . .
C21 C18 C19 C20 -179.7(4) . .
C16 N2 C20 C19 -1.1(7) . .
Co1 N2 C20 C19 165.2(4) . .
C18 C19 C20 N2 0.7(8) . .
C17 C18 C21 C25 143.7(5) . .
C19 C18 C21 C25 -36.4(7) . .
C17 C18 C21 C22 -34.2(7) . .
C19 C18 C21 C22 145.7(5) . .
C25 C21 C22 C23 -0.1(8) . .
C18 C21 C22 C23 177.9(5) . .
C24 N3 C23 C22 0.1(9) . .
C21 C22 C23 N3 0.1(9) . .
C23 N3 C24 C25 -0.3(9) . .
N3 C24 C25 C21 0.3(10) . .
C22 C21 C25 C24 -0.1(8) . .
C18 C21 C25 C24 -178.1(5) . .
C30 N4 C26 C27 0.4(9) . .
Co1 N4 C26 C27 173.9(6) . .
N4 C26 C27 C28 -1.5(11) . .
C26 C27 C28 C29 0.9(10) . .
C26 C27 C28 C28 -178.4(7) . 2_566
C27 C28 C29 C30 0.5(8) . .
C28 C28 C29 C30 179.9(6) 2_566 .
C26 N4 C30 C29 1.2(8) . .
Co1 N4 C30 C29 -172.0(4) . .
C28 C29 C30 N4 -1.7(9) . .
