#------------------------------------------------------------------------------
#$Date: 2019-10-23 06:15:44 +0300 (Wed, 23 Oct 2019) $
#$Revision: 219461 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/47/7234748.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_7234748
loop_
_publ_author_name
'Han, Defang'
'Huang, Kun'
'Li, Xianglin'
'Peng, Mengni'
'Jing, Linhai'
'Yu, Baoyi'
'Chen, Zeqin'
'Qin, Dabin'
_publ_section_title
;
 Temperature-induced structural diversity of metal--organic frameworks and
 their applications in selective sensing of nitrobenzene and
 electrocatalyzing the oxygen evolution reaction
;
_journal_issue                   58
_journal_name_full               'RSC Advances'
_journal_page_first              33890
_journal_paper_doi               10.1039/C9RA07031A
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C76 H56 Co2 N8 O10, 3(H2 O)'
_chemical_formula_sum            'C76 H62 Co2 N8 O13'
_chemical_formula_weight         1413.19
_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
_atom_sites_solution_primary     iterative
_audit_creation_date             2019-04-20
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-04-24 deposited with the CCDC.    2019-10-15 downloaded from the CCDC.
;
_cell_angle_alpha                101.162(12)
_cell_angle_beta                 107.318(10)
_cell_angle_gamma                107.004(13)
_cell_formula_units_Z            1
_cell_length_a                   10.353(4)
_cell_length_b                   12.285(6)
_cell_length_c                   14.373(5)
_cell_measurement_reflns_used    9955
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      2.61
_cell_volume                     1588.1(12)
_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    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            40273
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.376
_diffrn_reflns_theta_min         2.180
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_description       block
_exptl_crystal_F_000             732
_refine_diff_density_max         0.301
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         5818
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0334
_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)+(0.0398P)²+1.1296P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0876
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4860
_reflns_number_total             5818
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ra07031a2.cif
_cod_data_source_block           mo_20170418sco120yellow_0m-auto
_cod_original_cell_volume        1588.1(11)
_cod_database_code               7234748
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 H4A-H12
 2.6 with sigma of 0.02
3. Others
 Fixed Sof: O7(0.5) H7A(0.5) H7B(0.5)
4.a Free rotating group:
 O6(H6A,H6B), O7(H7A,H7B)
4.b Rotating group:
 O4(H4A,H4B)
4.c Ternary CH refined with riding coordinates:
 C24(H24), C23(H23), C26(H26), C25(H25)
4.d Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C1(H1), C9(H9), C7(H7), C6(H6), C5(H5), C38(H38), C37(H37),
 C36(H36), C35(H35), C32(H32), C31(H31), C30(H30), C29(H29), C11(H11), C19(H19),
  C17(H17), C16(H16), C15(H15), C13(H13), C12(H12)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.5000 0.5000 0.5000 0.01995(10) Uani 1 2 d S T P
Co2 Co 1.0000 0.5000 0.5000 0.02205(11) Uani 1 2 d S T P
O1 O 0.32227(14) 0.37973(12) 0.36730(10) 0.0273(3) Uani 1 1 d . . .
O2 O 0.65358(14) 0.42615(13) 0.47799(10) 0.0267(3) Uani 1 1 d . . .
O3 O 0.79001(14) 0.38528(13) 0.39259(10) 0.0288(3) Uani 1 1 d . . .
O4 O 0.93431(15) 0.61804(14) 0.58309(11) 0.0309(3) Uani 1 1 d . . .
H4A H 1.0057 0.6662 0.6422 0.046 Uiso 1 1 d DGR . .
H4B H 0.8675 0.5788 0.6042 0.046 Uiso 1 1 d GR . .
O5 O 0.16086(16) 0.20392(15) 0.25981(14) 0.0492(5) Uani 1 1 d . . .
O6 O -0.0644(2) 0.27520(18) 0.20622(14) 0.0516(5) Uani 1 1 d . . .
H6A H 0.0067 0.2517 0.2192 0.077 Uiso 1 1 d G . .
H6B H -0.1233 0.2291 0.1469 0.077 Uiso 1 1 d G . .
N1 N 0.98404(19) 0.39572(16) 0.60503(13) 0.0294(4) Uani 1 1 d . . .
N2 N 1.00847(19) 0.34361(16) 0.74625(13) 0.0292(4) Uani 1 1 d . . .
N3 N 0.55723(18) 0.60932(16) 0.40957(12) 0.0270(4) Uani 1 1 d . . .
N4 N 0.53691(18) 0.65246(16) 0.26559(12) 0.0268(4) Uani 1 1 d . . .
C21 C 0.6689(2) 0.37083(17) 0.40099(14) 0.0204(4) Uani 1 1 d . . .
C2 C 0.9126(3) 0.2755(2) 0.57978(19) 0.0546(8) Uani 1 1 d . . .
H2 H 0.8610 0.2240 0.5132 0.065 Uiso 1 1 calc R . .
C3 C 0.9270(3) 0.2416(2) 0.6647(2) 0.0530(7) Uani 1 1 d . . .
H3 H 0.8891 0.1642 0.6675 0.064 Uiso 1 1 calc R . .
C1 C 1.0414(2) 0.43317(19) 0.70532(16) 0.0299(5) Uani 1 1 d . . .
H1 H 1.0984 0.5125 0.7440 0.036 Uiso 1 1 calc R . .
C4 C 1.0573(2) 0.34855(19) 0.85266(16) 0.0280(5) Uani 1 1 d . . .
C10 C 0.9739(2) 0.57423(18) 1.07585(15) 0.0258(4) Uani 1 1 d . . .
C8 C 1.0790(2) 0.42830(19) 1.02948(15) 0.0270(4) Uani 1 1 d . . .
C9 C 1.0522(2) 0.50220(19) 1.10201(16) 0.0283(5) Uani 1 1 d . . .
H9 H 1.0876 0.5036 1.1699 0.034 Uiso 1 1 calc R . .
C7 C 1.1562(2) 0.3531(2) 1.05751(17) 0.0329(5) Uani 1 1 d . . .
H7 H 1.1910 0.3545 1.1255 0.039 Uiso 1 1 calc R . .
C6 C 1.1795(3) 0.2794(2) 0.98622(18) 0.0361(5) Uani 1 1 d . . .
H6 H 1.2285 0.2300 1.0056 0.043 Uiso 1 1 calc R . .
C5 C 1.1298(2) 0.2774(2) 0.88261(18) 0.0350(5) Uani 1 1 d . . .
H5 H 1.1468 0.2268 0.8345 0.042 Uiso 1 1 calc R . .
C24 C 0.5323(2) 0.28088(17) 0.30964(14) 0.0211(4) Uani 1 1 d . . .
H24 H 0.4964 0.3264 0.2661 0.025 Uiso 1 1 calc R . .
C23 C 0.4058(2) 0.21803(17) 0.34269(15) 0.0221(4) Uani 1 1 d . . .
H23 H 0.4478 0.2333 0.4169 0.027 Uiso 1 1 calc R . .
C26 C 0.3490(2) 0.08052(18) 0.29133(15) 0.0264(4) Uani 1 1 d . . .
H26 H 0.2674 0.0376 0.3081 0.032 Uiso 1 1 calc R . .
C28 C 0.3075(2) 0.05456(18) 0.17700(16) 0.0264(4) Uani 1 1 d . . .
C27 C 0.4240(2) 0.10887(18) 0.14983(15) 0.0247(4) Uani 1 1 d . . .
C25 C 0.5638(2) 0.18362(18) 0.24189(15) 0.0237(4) Uani 1 1 d . . .
H25 H 0.6445 0.2194 0.2215 0.028 Uiso 1 1 calc R . .
C33 C 0.5944(2) 0.09959(18) 0.30187(15) 0.0268(4) Uani 1 1 d . . .
C38 C 0.7184(2) 0.0727(2) 0.32791(17) 0.0362(5) Uani 1 1 d . . .
H38 H 0.7956 0.1091 0.3098 0.043 Uiso 1 1 calc R . .
C37 C 0.7264(3) -0.0099(2) 0.38176(19) 0.0468(7) Uani 1 1 d . . .
H37 H 0.8094 -0.0287 0.3995 0.056 Uiso 1 1 calc R . .
C36 C 0.6125(3) -0.0640(2) 0.40884(19) 0.0474(7) Uani 1 1 d . . .
H36 H 0.6196 -0.1182 0.4453 0.057 Uiso 1 1 calc R . .
C35 C 0.4873(3) -0.0379(2) 0.38205(17) 0.0383(5) Uani 1 1 d . . .
H35 H 0.4102 -0.0750 0.3999 0.046 Uiso 1 1 calc R . .
C34 C 0.4780(2) 0.04345(18) 0.32877(15) 0.0277(5) Uani 1 1 d . . .
C32 C 0.4055(2) 0.08711(19) 0.04786(16) 0.0315(5) Uani 1 1 d . . .
H32 H 0.4833 0.1215 0.0296 0.038 Uiso 1 1 calc R . .
C31 C 0.2694(3) 0.0130(2) -0.02759(17) 0.0393(6) Uani 1 1 d . . .
H31 H 0.2566 -0.0016 -0.0963 0.047 Uiso 1 1 calc R . .
C30 C 0.1540(3) -0.0384(2) -0.00102(18) 0.0405(6) Uani 1 1 d . . .
H30 H 0.0634 -0.0867 -0.0519 0.049 Uiso 1 1 calc R . .
C29 C 0.1724(2) -0.0187(2) 0.10152(17) 0.0353(5) Uani 1 1 d . . .
H29 H 0.0947 -0.0543 0.1194 0.042 Uiso 1 1 calc R . .
C22 C 0.2866(2) 0.26997(18) 0.32124(15) 0.0246(4) Uani 1 1 d . . .
C11 C 0.4659(2) 0.6034(2) 0.32099(16) 0.0296(5) Uani 1 1 d . . .
H11 H 0.3649 0.5697 0.2993 0.036 Uiso 1 1 calc R . .
C14 C 0.4712(2) 0.65284(19) 0.16235(15) 0.0278(5) Uani 1 1 d . . .
C18 C 0.4881(2) 0.57470(18) 0.08269(15) 0.0250(4) Uani 1 1 d . . .
C19 C 0.5619(2) 0.49730(19) 0.09968(15) 0.0274(5) Uani 1 1 d . . .
H19 H 0.6023 0.4950 0.1660 0.033 Uiso 1 1 calc R . .
C20 C 0.5768(2) 0.42339(18) 0.01989(15) 0.0255(4) Uani 1 1 d . . .
C17 C 0.3433(2) 0.65244(19) -0.03678(16) 0.0309(5) Uani 1 1 d . . .
H17 H 0.3002 0.6537 -0.1031 0.037 Uiso 1 1 calc R . .
C16 C 0.3285(3) 0.7228(2) 0.04131(17) 0.0361(5) Uani 1 1 d . . .
H16 H 0.2743 0.7704 0.0279 0.043 Uiso 1 1 calc R . .
C15 C 0.3951(3) 0.7242(2) 0.14321(17) 0.0346(5) Uani 1 1 d . . .
H15 H 0.3866 0.7740 0.1968 0.042 Uiso 1 1 calc R . .
C13 C 0.6839(2) 0.6917(2) 0.32280(16) 0.0310(5) Uani 1 1 d . . .
H13 H 0.7602 0.7289 0.3043 0.037 Uiso 1 1 calc R . .
C12 C 0.6949(2) 0.66549(19) 0.41104(16) 0.0291(5) Uani 1 1 d . . .
H12 H 0.7820 0.6826 0.4647 0.035 Uiso 1 1 calc DR . .
O7 O 0.0135(9) 0.0109(6) 0.3152(9) 0.177(4) Uani 0.5 1 d . . .
H7A H 0.0450 0.0627 0.2876 0.265 Uiso 0.5 1 d G . .
H7B H 0.0434 0.0436 0.3794 0.265 Uiso 0.5 1 d G . .
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 O1 180.00(7) 2_666 .
O1 Co1 O2 96.17(6) . .
O1 Co1 O2 83.83(6) . 2_666
O1 Co1 O2 83.83(6) 2_666 .
O1 Co1 O2 96.17(6) 2_666 2_666
O1 Co1 N3 88.31(7) . .
O1 Co1 N3 91.69(7) . 2_666
O1 Co1 N3 88.31(7) 2_666 2_666
O1 Co1 N3 91.69(7) 2_666 .
O2 Co1 O2 180.0 . 2_666
O2 Co1 N3 87.54(6) . .
O2 Co1 N3 87.54(6) 2_666 2_666
O2 Co1 N3 92.45(6) . 2_666
O2 Co1 N3 92.46(6) 2_666 .
N3 Co1 N3 180.0 . 2_666
O3 Co2 O3 180.0 . 2_766
O3 Co2 N1 91.48(7) . .
O3 Co2 N1 91.48(7) 2_766 2_766
O3 Co2 N1 88.52(7) . 2_766
O3 Co2 N1 88.52(7) 2_766 .
O4 Co2 O3 97.11(6) . .
O4 Co2 O3 97.11(6) 2_766 2_766
O4 Co2 O3 82.89(6) 2_766 .
O4 Co2 O3 82.89(6) . 2_766
O4 Co2 O4 180.0 . 2_766
O4 Co2 N1 91.38(7) . 2_766
O4 Co2 N1 88.62(7) 2_766 2_766
O4 Co2 N1 88.62(7) . .
O4 Co2 N1 91.38(7) 2_766 .
N1 Co2 N1 180.0 2_766 .
C22 O1 Co1 132.05(13) . .
C21 O2 Co1 134.78(12) . .
C21 O3 Co2 128.10(13) . .
C2 N1 Co2 126.85(15) . .
C1 N1 Co2 128.21(15) . .
C1 N1 C2 104.94(19) . .
C3 N2 C4 125.53(18) . .
C1 N2 C3 105.72(18) . .
C1 N2 C4 128.55(18) . .
C11 N3 Co1 123.79(14) . .
C11 N3 C12 105.56(17) . .
C12 N3 Co1 127.33(13) . .
C11 N4 C14 126.09(18) . .
C11 N4 C13 106.99(17) . .
C13 N4 C14 126.66(17) . .
O2 C21 C24 118.88(16) . .
O3 C21 O2 124.27(17) . .
O3 C21 C24 116.84(16) . .
C3 C2 N1 110.5(2) . .
C2 C3 N2 106.5(2) . .
N1 C1 N2 112.37(19) . .
C10 C4 N2 119.85(18) 2_767 .
C5 C4 N2 118.86(19) . .
C5 C4 C10 121.28(19) . 2_767
C4 C10 C8 117.47(19) 2_767 2_767
C9 C10 C4 124.28(19) . 2_767
C9 C10 C8 118.25(19) . 2_767
C9 C8 C10 119.73(19) . 2_767
C9 C8 C7 121.08(19) . .
C7 C8 C10 119.18(19) . 2_767
C8 C9 C10 122.02(19) . .
C6 C7 C8 120.9(2) . .
C7 C6 C5 120.4(2) . .
C4 C5 C6 120.7(2) . .
C21 C24 C23 112.77(15) . .
C21 C24 C25 113.36(15) . .
C25 C24 C23 109.33(15) . .
C26 C23 C24 108.78(15) . .
C22 C23 C24 111.87(16) . .
C22 C23 C26 113.75(16) . .
C28 C26 C23 109.17(16) . .
C28 C26 C34 106.08(16) . .
C34 C26 C23 106.37(16) . .
C27 C28 C26 113.23(17) . .
C29 C28 C26 126.63(19) . .
C29 C28 C27 120.1(2) . .
C28 C27 C25 112.90(17) . .
C32 C27 C28 120.04(19) . .
C32 C27 C25 126.99(19) . .
C27 C25 C24 107.79(16) . .
C33 C25 C24 107.71(16) . .
C33 C25 C27 105.65(16) . .
C38 C33 C25 126.9(2) . .
C38 C33 C34 120.1(2) . .
C34 C33 C25 112.99(18) . .
C33 C38 C37 119.1(2) . .
C36 C37 C38 120.7(2) . .
C37 C36 C35 120.4(2) . .
C34 C35 C36 119.6(2) . .
C33 C34 C26 113.01(18) . .
C35 C34 C26 126.7(2) . .
C35 C34 C33 120.3(2) . .
C27 C32 C31 119.5(2) . .
C30 C31 C32 120.5(2) . .
C31 C30 C29 120.3(2) . .
C28 C29 C30 119.5(2) . .
O1 C22 C23 117.43(17) . .
O5 C22 O1 123.41(19) . .
O5 C22 C23 119.16(18) . .
N3 C11 N4 111.51(19) . .
C18 C14 N4 117.62(18) . .
C15 C14 N4 119.93(19) . .
C15 C14 C18 122.45(19) . .
C14 C18 C20 117.12(18) . 2_665
C19 C18 C14 123.74(18) . .
C19 C18 C20 119.14(19) . 2_665
C20 C19 C18 121.83(18) . .
C19 C20 C18 119.01(19) . 2_665
C19 C20 C17 122.34(18) . 2_665
C17 C20 C18 118.64(19) 2_665 2_665
C16 C17 C20 121.71(19) . 2_665
C17 C16 C15 120.3(2) . .
C14 C15 C16 119.8(2) . .
C12 C13 N4 106.24(18) . .
C13 C12 N3 109.70(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 2.1062(15) 2_666
Co1 O1 2.1062(15) .
Co1 O2 2.1174(15) 2_666
Co1 O2 2.1174(15) .
Co1 N3 2.1244(17) 2_666
Co1 N3 2.1244(17) .
Co2 O3 2.1128(15) 2_766
Co2 O3 2.1128(15) .
Co2 O4 2.0933(15) .
Co2 O4 2.0933(15) 2_766
Co2 N1 2.1727(18) 2_766
Co2 N1 2.1728(18) .
O1 C22 1.269(2) .
O2 C21 1.260(2) .
O3 C21 1.259(2) .
O5 C22 1.246(2) .
N1 C2 1.362(3) .
N1 C1 1.310(3) .
N2 C3 1.372(3) .
N2 C1 1.350(3) .
N2 C4 1.444(3) .
N3 C11 1.315(3) .
N3 C12 1.382(3) .
N4 C11 1.346(3) .
N4 C14 1.438(3) .
N4 C13 1.377(3) .
C21 C24 1.538(3) .
C2 C3 1.345(4) .
C4 C10 1.435(3) 2_767
C4 C5 1.360(3) .
C10 C4 1.435(3) 2_767
C10 C8 1.439(3) 2_767
C10 C9 1.396(3) .
C8 C10 1.439(3) 2_767
C8 C9 1.393(3) .
C8 C7 1.428(3) .
C7 C6 1.358(3) .
C6 C5 1.416(3) .
C24 C23 1.567(3) .
C24 C25 1.565(3) .
C23 C26 1.556(3) .
C23 C22 1.529(3) .
C26 C28 1.511(3) .
C26 C34 1.518(3) .
C28 C27 1.401(3) .
C28 C29 1.388(3) .
C27 C25 1.517(3) .
C27 C32 1.381(3) .
C25 C33 1.511(3) .
C33 C38 1.381(3) .
C33 C34 1.404(3) .
C38 C37 1.397(3) .
C37 C36 1.378(4) .
C36 C35 1.387(4) .
C35 C34 1.379(3) .
C32 C31 1.396(3) .
C31 C30 1.377(4) .
C30 C29 1.391(3) .
C14 C18 1.433(3) .
C14 C15 1.354(3) .
C18 C19 1.397(3) .
C18 C20 1.435(3) 2_665
C19 C20 1.395(3) .
C20 C18 1.435(3) 2_665
C20 C17 1.425(3) 2_665
C17 C20 1.425(3) 2_665
C17 C16 1.355(3) .
C16 C15 1.415(3) .
C13 C12 1.349(3) .
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 O1 C22 O5 160.78(16) . .
Co1 O1 C22 C23 -19.7(3) . .
Co1 O2 C21 O3 141.72(16) . .
Co1 O2 C21 C24 -37.2(3) . .
Co1 N3 C11 N4 -160.65(14) . .
Co1 N3 C12 C13 159.37(15) . .
Co2 O3 C21 O2 0.8(3) . .
Co2 O3 C21 C24 179.78(12) . .
Co2 N1 C2 C3 179.44(19) . .
Co2 N1 C1 N2 179.63(14) . .
O2 C21 C24 C23 -31.5(2) . .
O2 C21 C24 C25 -156.46(17) . .
O3 C21 C24 C23 149.43(17) . .
O3 C21 C24 C25 24.5(2) . .
N1 C2 C3 N2 0.8(4) . .
N2 C4 C5 C6 179.99(19) . .
N4 C14 C18 C19 1.3(3) . .
N4 C14 C18 C20 -179.47(17) . 2_665
N4 C14 C15 C16 -178.9(2) . .
N4 C13 C12 N3 0.6(2) . .
C21 C24 C23 C26 -130.37(17) . .
C21 C24 C23 C22 103.12(18) . .
C21 C24 C25 C27 -174.66(16) . .
C21 C24 C25 C33 71.8(2) . .
C2 N1 C1 N2 -1.1(3) . .
C3 N2 C1 N1 1.6(3) . .
C3 N2 C4 C10 -126.5(3) . 2_767
C3 N2 C4 C5 52.1(3) . .
C1 N1 C2 C3 0.2(3) . .
C1 N2 C3 C2 -1.4(3) . .
C1 N2 C4 C10 59.5(3) . 2_767
C1 N2 C4 C5 -121.9(2) . .
C4 N2 C3 C2 -176.5(2) . .
C4 N2 C1 N1 176.57(19) . .
C4 C10 C9 C8 179.7(2) 2_767 .
C10 C4 C5 C6 -1.4(3) 2_767 .
C10 C8 C9 C10 0.5(3) 2_767 .
C10 C8 C7 C6 -0.2(3) 2_767 .
C8 C10 C9 C8 -0.5(3) 2_767 .
C8 C7 C6 C5 1.1(3) . .
C9 C8 C7 C6 178.7(2) . .
C7 C8 C9 C10 -178.41(19) . .
C7 C6 C5 C4 -0.3(3) . .
C24 C23 C26 C28 -54.3(2) . .
C24 C23 C26 C34 59.8(2) . .
C24 C23 C22 O1 -61.9(2) . .
C24 C23 C22 O5 117.7(2) . .
C24 C25 C33 C38 -122.9(2) . .
C24 C25 C33 C34 59.1(2) . .
C23 C24 C25 C27 58.6(2) . .
C23 C24 C25 C33 -55.0(2) . .
C23 C26 C28 C27 59.6(2) . .
C23 C26 C28 C29 -123.1(2) . .
C23 C26 C34 C33 -60.6(2) . .
C23 C26 C34 C35 120.7(2) . .
C26 C23 C22 O1 174.33(17) . .
C26 C23 C22 O5 -6.1(3) . .
C26 C28 C27 C25 -1.4(2) . .
C26 C28 C27 C32 175.74(18) . .
C26 C28 C29 C30 -176.5(2) . .
C28 C26 C34 C33 55.5(2) . .
C28 C26 C34 C35 -123.1(2) . .
C28 C27 C25 C24 -58.0(2) . .
C28 C27 C25 C33 56.9(2) . .
C28 C27 C32 C31 1.5(3) . .
C27 C28 C29 C30 0.6(3) . .
C27 C25 C33 C38 122.1(2) . .
C27 C25 C33 C34 -55.9(2) . .
C27 C32 C31 C30 -0.2(3) . .
C25 C24 C23 C26 -3.3(2) . .
C25 C24 C23 C22 -129.80(16) . .
C25 C27 C32 C31 178.2(2) . .
C25 C33 C38 C37 -178.4(2) . .
C25 C33 C34 C26 -0.1(2) . .
C25 C33 C34 C35 178.72(18) . .
C33 C38 C37 C36 -0.1(3) . .
C38 C33 C34 C26 -178.19(18) . .
C38 C33 C34 C35 0.6(3) . .
C38 C37 C36 C35 0.7(4) . .
C37 C36 C35 C34 -0.6(4) . .
C36 C35 C34 C26 178.6(2) . .
C36 C35 C34 C33 0.0(3) . .
C34 C26 C28 C27 -54.6(2) . .
C34 C26 C28 C29 122.6(2) . .
C34 C33 C38 C37 -0.5(3) . .
C32 C27 C25 C24 125.0(2) . .
C32 C27 C25 C33 -120.0(2) . .
C32 C31 C30 C29 -1.0(4) . .
C31 C30 C29 C28 0.8(3) . .
C29 C28 C27 C25 -178.86(19) . .
C29 C28 C27 C32 -1.7(3) . .
C22 C23 C26 C28 71.2(2) . .
C22 C23 C26 C34 -174.77(16) . .
C11 N3 C12 C13 -0.4(2) . .
C11 N4 C14 C18 -106.3(2) . .
C11 N4 C14 C15 72.8(3) . .
C11 N4 C13 C12 -0.6(2) . .
C14 N4 C11 N3 174.84(19) . .
C14 N4 C13 C12 -175.0(2) . .
C14 C18 C19 C20 -179.48(19) . .
C18 C14 C15 C16 0.2(3) . .
C18 C19 C20 C18 -1.3(3) . 2_665
C18 C19 C20 C17 177.47(19) . 2_665
C20 C18 C19 C20 1.3(3) 2_665 .
C20 C17 C16 C15 1.1(3) 2_665 .
C17 C16 C15 C14 -1.5(4) . .
C15 C14 C18 C19 -177.8(2) . .
C15 C14 C18 C20 1.4(3) . 2_665
C13 N4 C11 N3 0.3(2) . .
C13 N4 C14 C18 67.1(3) . .
C13 N4 C14 C15 -113.8(3) . .
C12 N3 C11 N4 0.0(2) . .
