#------------------------------------------------------------------------------
#$Date: 2022-10-23 01:49:06 +0300 (Sun, 23 Oct 2022) $
#$Revision: 278723 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/15/7711529.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_7711529
loop_
_publ_author_name
'Yang, Ming-Xing'
'Yan, Rong-Zhi'
'Chen, Lijuan'
'Lin, Shen'
_publ_section_title
;
 Five 3D Co(II)-MOFs constructed from 5-(2-methylimidazol-1-yl)
 isophthalic acid and different bis(imidazole) ligands and one of their
 derivatives as an efficient electrocatalyst for ORR
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02383K
_journal_year                    2022
_chemical_formula_moiety         'C42 H34 Co2 N8 O10'
_chemical_formula_sum            'C42 H34 Co2 N8 O10'
_chemical_formula_weight         928.63
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-10-07 deposited with the CCDC.	2022-10-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.315(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.167(4)
_cell_length_b                   13.936(4)
_cell_length_c                   15.062(5)
_cell_measurement_reflns_used    4911
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5204
_cell_measurement_theta_min      2.0470
_cell_volume                     2014.0(12)
_computing_cell_refinement       '(CrystalClear; Rigaku, 2002)'
_computing_data_collection       '(CrystalClear; Rigaku, 2002)'
_computing_data_reduction        '(CrystalClear; Rigaku, 2002)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0316
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13927
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.554
_diffrn_reflns_theta_min         3.218
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2002)'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_description       column
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.248
_refine_diff_density_min         -0.243
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4542
_refine_ls_number_restraints     237
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0484P)²+0.4227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0928
_refine_ls_wR_factor_ref         0.0986
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3929
_reflns_number_total             4542
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02383k2.cif
_cod_data_source_block           C42H34Co2N8O10
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7711529
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.42701(3) 0.34564(2) 0.55229(2) 0.03113(10) Uani 1 1 d . . . . .
O1 O 1.32115(15) 0.43491(11) 0.60872(11) 0.0414(4) Uani 1 1 d . . . . .
O2 O 1.17545(17) 0.33028(12) 0.51934(12) 0.0493(4) Uani 1 1 d . . . . .
O3 O 0.69467(18) 0.30241(14) 0.52206(14) 0.0632(5) Uani 1 1 d . . . . .
O4 O 0.61403(15) 0.40606(12) 0.60172(11) 0.0440(4) Uani 1 1 d . . . . .
N1 N 1.0391(2) 0.58113(13) 0.80638(13) 0.0418(4) Uani 1 1 d . . . . .
N2 N 1.0593(2) 0.70992(13) 0.89366(13) 0.0415(4) Uani 1 1 d . . . . .
N3 N 0.3875(2) 0.36184(13) 0.26990(12) 0.0394(4) Uani 1 1 d . . . . .
N4 N 0.38176(18) 0.33659(12) 0.41201(12) 0.0355(4) Uani 1 1 d . . . . .
C1 C 1.0883(2) 0.43280(14) 0.61335(14) 0.0327(4) Uani 1 1 d . . . . .
C2 C 0.9553(2) 0.39526(15) 0.57526(14) 0.0331(4) Uani 1 1 d . . . . .
H2A H 0.935945 0.352819 0.524914 0.040 Uiso 1 1 calc R U . . .
C3 C 0.8505(2) 0.42000(14) 0.61104(15) 0.0336(4) Uani 1 1 d . . . . .
C4 C 0.8803(2) 0.48387(15) 0.68537(15) 0.0370(5) Uani 1 1 d . . . . .
H4A H 0.810547 0.502196 0.709150 0.044 Uiso 1 1 calc R U . . .
C5 C 1.0129(2) 0.52049(15) 0.72435(15) 0.0373(5) Uani 1 1 d . . . . .
C6 C 1.1187(2) 0.49580(15) 0.68874(15) 0.0371(5) Uani 1 1 d . . . . .
H6A H 1.207796 0.521076 0.715022 0.045 Uiso 1 1 calc R U . . .
C7 C 1.2008(2) 0.39745(15) 0.57647(15) 0.0366(5) Uani 1 1 d . . . . .
C8 C 0.7092(2) 0.37277(16) 0.57373(16) 0.0391(5) Uani 1 1 d . . . . .
C9 C 1.0065(3) 0.55517(19) 0.88513(18) 0.0620(7) Uani 1 1 d . . . . .
H9A H 0.979912 0.494551 0.898692 0.074 Uiso 1 1 calc R U . . .
C10 C 1.0204(3) 0.63385(18) 0.93805(18) 0.0591(7) Uani 1 1 d . . . . .
H10A H 1.006164 0.636876 0.995877 0.071 Uiso 1 1 calc R U . . .
C11 C 1.0677(2) 0.67592(15) 0.81405(15) 0.0380(5) Uani 1 1 d . . . . .
C12 C 1.1046(3) 0.7320(2) 0.74084(19) 0.0625(7) Uani 1 1 d . . . . .
H12D H 1.202397 0.725387 0.750807 0.094 Uiso 1 1 calc R U . . .
H12E H 1.082769 0.798516 0.745240 0.094 Uiso 1 1 calc R U . . .
H12F H 1.052205 0.708186 0.679519 0.094 Uiso 1 1 calc R U . . .
C13 C 0.4241(2) 0.40272(15) 0.19353(15) 0.0426(5) Uani 1 1 d D . . . .
C16 C 0.4854(3) 0.47935(16) 0.04132(16) 0.0498(6) Uani 1 1 d D . . . .
C14 C 0.4991(10) 0.3498(6) 0.1502(6) 0.062(2) Uani 0.601(17) 1 d D U P A 1
H14A H 0.529934 0.288647 0.172001 0.074 Uiso 0.601(17) 1 calc R U P A 1
C15 C 0.5290(10) 0.3873(4) 0.0741(5) 0.059(2) Uani 0.601(17) 1 d D U P A 1
H15A H 0.578790 0.350747 0.044469 0.071 Uiso 0.601(17) 1 calc R U P A 1
C17 C 0.4216(14) 0.5338(6) 0.0905(8) 0.080(3) Uani 0.601(17) 1 d D U P A 1
H17A H 0.398803 0.597314 0.073382 0.097 Uiso 0.601(17) 1 calc R U P A 1
C18 C 0.3907(15) 0.4949(5) 0.1653(8) 0.084(3) Uani 0.601(17) 1 d D U P A 1
H18A H 0.345879 0.532686 0.197440 0.101 Uiso 0.601(17) 1 calc R U P A 1
C14A C 0.435(2) 0.3450(8) 0.1237(9) 0.080(4) Uani 0.399(17) 1 d D U P A 2
H14B H 0.429258 0.278815 0.128898 0.096 Uiso 0.399(17) 1 calc R U P A 2
C15A C 0.456(2) 0.3837(6) 0.0455(10) 0.090(4) Uani 0.399(17) 1 d D U P A 2
H15B H 0.449605 0.344386 -0.005573 0.108 Uiso 0.399(17) 1 calc R U P A 2
C17A C 0.4699(16) 0.5353(8) 0.1123(7) 0.056(3) Uani 0.399(17) 1 d D U P A 2
H17B H 0.482344 0.601154 0.109335 0.068 Uiso 0.399(17) 1 calc R U P A 2
C18A C 0.4371(15) 0.4997(5) 0.1877(7) 0.050(3) Uani 0.399(17) 1 d D U P A 2
H18B H 0.424288 0.540357 0.233088 0.060 Uiso 0.399(17) 1 calc R U P A 2
C19 C 0.2851(3) 0.29454(19) 0.26196(17) 0.0492(6) Uani 1 1 d . . . . .
H19A H 0.229068 0.264930 0.207171 0.059 Uiso 1 1 calc R U . . .
C20 C 0.2828(2) 0.28045(17) 0.34989(16) 0.0452(5) Uani 1 1 d . . . . .
H20A H 0.222961 0.238779 0.366049 0.054 Uiso 1 1 calc R U . . .
C21 C 0.4434(2) 0.38450(16) 0.36096(14) 0.0359(5) Uani 1 1 d . . . . .
H21A H 0.515777 0.428040 0.385110 0.043 Uiso 1 1 calc R U . . .
O1W O 0.6439(7) 0.1715(3) 0.3740(4) 0.195(2) Uani 1 1 d D . . . .
H1A H 0.672(9) 0.210(5) 0.418(4) 0.292 Uiso 1 1 d D U . . .
H1B H 0.664(10) 0.185(6) 0.327(4) 0.292 Uiso 1 1 d D 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
_geom_angle_publ_flag
O4 Co1 O1 99.17(7) . 1_455 ?
O4 Co1 N4 106.16(7) . . ?
O1 Co1 N4 120.98(7) 1_455 . ?
O4 Co1 N2 108.19(7) . 2_646 ?
O1 Co1 N2 112.32(7) 1_455 2_646 ?
N4 Co1 N2 108.77(7) . 2_646 ?
C7 O1 Co1 99.62(13) . 1_655 ?
C8 O4 Co1 117.58(15) . . ?
C11 N1 C9 106.80(18) . . ?
C11 N1 C5 128.20(18) . . ?
C9 N1 C5 123.48(19) . . ?
C11 N2 C10 106.25(19) . . ?
C11 N2 Co1 132.69(16) . 2_656 ?
C10 N2 Co1 120.70(15) . 2_656 ?
C21 N3 C19 107.60(18) . . ?
C21 N3 C13 126.33(19) . . ?
C19 N3 C13 126.04(19) . . ?
C21 N4 C20 105.87(18) . . ?
C21 N4 Co1 126.24(15) . . ?
C20 N4 Co1 127.89(14) . . ?
C2 C1 C6 120.04(18) . . ?
C2 C1 C7 118.61(18) . . ?
C6 C1 C7 121.16(19) . . ?
C1 C2 C3 121.02(19) . . ?
C1 C2 H2A 119.5 . . ?
C3 C2 H2A 119.5 . . ?
C4 C3 C2 118.91(19) . . ?
C4 C3 C8 120.58(18) . . ?
C2 C3 C8 120.38(19) . . ?
C5 C4 C3 120.33(18) . . ?
C5 C4 H4A 119.8 . . ?
C3 C4 H4A 119.8 . . ?
C4 C5 C6 120.99(19) . . ?
C4 C5 N1 117.25(18) . . ?
C6 C5 N1 121.7(2) . . ?
C1 C6 C5 118.7(2) . . ?
C1 C6 H6A 120.7 . . ?
C5 C6 H6A 120.7 . . ?
O2 C7 O1 121.91(18) . . ?
O2 C7 C1 119.55(19) . . ?
O1 C7 C1 118.46(19) . . ?
O3 C8 O4 123.9(2) . . ?
O3 C8 C3 118.92(19) . . ?
O4 C8 C3 117.06(19) . . ?
C10 C9 N1 106.8(2) . . ?
C10 C9 H9A 126.6 . . ?
N1 C9 H9A 126.6 . . ?
C9 C10 N2 109.4(2) . . ?
C9 C10 H10A 125.3 . . ?
N2 C10 H10A 125.3 . . ?
N2 C11 N1 110.65(19) . . ?
N2 C11 C12 126.1(2) . . ?
N1 C11 C12 123.2(2) . . ?
C11 C12 H12D 109.5 . . ?
C11 C12 H12E 109.5 . . ?
H12D C12 H12E 109.5 . . ?
C11 C12 H12F 109.5 . . ?
H12D C12 H12F 109.5 . . ?
H12E C12 H12F 109.5 . . ?
C14A C13 C18A 120.1(6) . . ?
C18 C13 C14 118.6(5) . . ?
C14A C13 N3 119.7(5) . . ?
C18 C13 N3 121.4(4) . . ?
C18A C13 N3 120.0(5) . . ?
C14 C13 N3 120.0(3) . . ?
C15A C16 C17A 115.6(7) . . ?
C17 C16 C15 118.2(5) . . ?
C17 C16 C16 120.1(5) . 3_665 ?
C15A C16 C16 121.4(5) . 3_665 ?
C17A C16 C16 122.5(6) . 3_665 ?
C15 C16 C16 121.6(3) . 3_665 ?
C13 C14 C15 120.1(6) . . ?
C13 C14 H14A 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C14 C15 C16 120.7(5) . . ?
C14 C15 H15A 119.6 . . ?
C16 C15 H15A 119.6 . . ?
C16 C17 C18 120.2(8) . . ?
C16 C17 H17A 119.9 . . ?
C18 C17 H17A 119.9 . . ?
C13 C18 C17 121.8(8) . . ?
C13 C18 H18A 119.1 . . ?
C17 C18 H18A 119.1 . . ?
C13 C14A C15A 120.5(9) . . ?
C13 C14A H14B 119.8 . . ?
C15A C14A H14B 119.8 . . ?
C14A C15A C16 121.3(9) . . ?
C14A C15A H15B 119.4 . . ?
C16 C15A H15B 119.4 . . ?
C16 C17A C18A 124.0(10) . . ?
C16 C17A H17B 118.0 . . ?
C18A C17A H17B 118.0 . . ?
C13 C18A C17A 117.7(9) . . ?
C13 C18A H18B 121.1 . . ?
C17A C18A H18B 121.1 . . ?
C20 C19 N3 105.8(2) . . ?
C20 C19 H19A 127.1 . . ?
N3 C19 H19A 127.1 . . ?
C19 C20 N4 109.92(19) . . ?
C19 C20 H20A 125.0 . . ?
N4 C20 H20A 125.0 . . ?
N4 C21 N3 110.79(19) . . ?
N4 C21 H21A 124.6 . . ?
N3 C21 H21A 124.6 . . ?
H1A O1W H1B 115(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O4 1.9856(16) . ?
Co1 O1 2.0085(15) 1_455 ?
Co1 N4 2.0121(19) . ?
Co1 N2 2.0456(19) 2_646 ?
O1 C7 1.270(3) . ?
O2 C7 1.240(3) . ?
O3 C8 1.230(3) . ?
O4 C8 1.265(2) . ?
N1 C11 1.349(3) . ?
N1 C9 1.381(3) . ?
N1 C5 1.447(3) . ?
N2 C11 1.318(3) . ?
N2 C10 1.379(3) . ?
N3 C21 1.337(3) . ?
N3 C19 1.377(3) . ?
N3 C13 1.438(3) . ?
N4 C21 1.322(3) . ?
N4 C20 1.370(3) . ?
C1 C2 1.385(3) . ?
C1 C6 1.387(3) . ?
C1 C7 1.510(3) . ?
C2 C3 1.387(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.383(3) . ?
C3 C8 1.510(3) . ?
C4 C5 1.378(3) . ?
C4 H4A 0.9300 . ?
C5 C6 1.394(3) . ?
C6 H6A 0.9300 . ?
C9 C10 1.335(4) . ?
C9 H9A 0.9300 . ?
C10 H10A 0.9300 . ?
C11 C12 1.497(3) . ?
C12 H12D 0.9600 . ?
C12 H12E 0.9600 . ?
C12 H12F 0.9600 . ?
C13 C14A 1.359(6) . ?
C13 C18 1.360(5) . ?
C13 C18A 1.363(6) . ?
C13 C14 1.372(5) . ?
C16 C17 1.365(5) . ?
C16 C15A 1.372(6) . ?
C16 C17A 1.374(6) . ?
C16 C15 1.393(5) . ?
C16 C16 1.488(4) 3_665 ?
C14 C15 1.381(5) . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9300 . ?
C17 C18 1.377(5) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C14A C15A 1.371(7) . ?
C14A H14B 0.9300 . ?
C15A H15B 0.9300 . ?
C17A C18A 1.377(6) . ?
C17A H17B 0.9300 . ?
C18A H18B 0.9300 . ?
C19 C20 1.347(3) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
O1W H1A 0.826(10) . ?
O1W H1B 0.823(10) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C14A^b H14B^b O3 0.93 2.65 3.175(16) 116.4 4_565 yes
C21 H21A O1 0.93 2.51 3.398(3) 159.8 3_766 yes
O1W H1A O3 0.826(10) 1.98(2) 2.794(4) 167(9) . yes
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
_geom_torsion_publ_flag
C6 C1 C2 C3 0.3(3) . . . . ?
C7 C1 C2 C3 175.34(19) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
C1 C2 C3 C8 -175.30(19) . . . . ?
C2 C3 C4 C5 -1.4(3) . . . . ?
C8 C3 C4 C5 174.4(2) . . . . ?
C3 C4 C5 C6 1.4(3) . . . . ?
C3 C4 C5 N1 -175.42(19) . . . . ?
C11 N1 C5 C4 -112.6(3) . . . . ?
C9 N1 C5 C4 51.4(3) . . . . ?
C11 N1 C5 C6 70.6(3) . . . . ?
C9 N1 C5 C6 -125.4(3) . . . . ?
C2 C1 C6 C5 -0.4(3) . . . . ?
C7 C1 C6 C5 -175.27(19) . . . . ?
C4 C5 C6 C1 -0.5(3) . . . . ?
N1 C5 C6 C1 176.19(19) . . . . ?
Co1 O1 C7 O2 -5.9(2) 1_655 . . . ?
Co1 O1 C7 C1 170.70(15) 1_655 . . . ?
C2 C1 C7 O2 -6.2(3) . . . . ?
C6 C1 C7 O2 168.7(2) . . . . ?
C2 C1 C7 O1 177.08(19) . . . . ?
C6 C1 C7 O1 -8.0(3) . . . . ?
Co1 O4 C8 O3 -4.0(3) . . . . ?
Co1 O4 C8 C3 179.37(14) . . . . ?
C4 C3 C8 O3 -164.9(2) . . . . ?
C2 C3 C8 O3 10.9(3) . . . . ?
C4 C3 C8 O4 11.9(3) . . . . ?
C2 C3 C8 O4 -172.3(2) . . . . ?
C11 N1 C9 C10 -1.7(3) . . . . ?
C5 N1 C9 C10 -168.7(2) . . . . ?
N1 C9 C10 N2 0.9(4) . . . . ?
C11 N2 C10 C9 0.2(3) . . . . ?
Co1 N2 C10 C9 174.2(2) 2_656 . . . ?
C10 N2 C11 N1 -1.4(3) . . . . ?
Co1 N2 C11 N1 -174.34(16) 2_656 . . . ?
C10 N2 C11 C12 179.1(3) . . . . ?
Co1 N2 C11 C12 6.1(4) 2_656 . . . ?
C9 N1 C11 N2 2.0(3) . . . . ?
C5 N1 C11 N2 168.1(2) . . . . ?
C9 N1 C11 C12 -178.5(2) . . . . ?
C5 N1 C11 C12 -12.3(4) . . . . ?
C21 N3 C13 C14A 138.5(11) . . . . ?
C19 N3 C13 C14A -43.9(11) . . . . ?
C21 N3 C13 C18 -70.2(8) . . . . ?
C19 N3 C13 C18 107.4(8) . . . . ?
C21 N3 C13 C18A -46.3(7) . . . . ?
C19 N3 C13 C18A 131.3(7) . . . . ?
C21 N3 C13 C14 107.1(6) . . . . ?
C19 N3 C13 C14 -75.4(6) . . . . ?
C18 C13 C14 C15 -5.6(10) . . . . ?
N3 C13 C14 C15 177.1(5) . . . . ?
C13 C14 C15 C16 0.9(10) . . . . ?
C17 C16 C15 C14 4.7(9) . . . . ?
C16 C16 C15 C14 -179.1(5) 3_665 . . . ?
C15 C16 C17 C18 -5.6(12) . . . . ?
C16 C16 C17 C18 178.1(7) 3_665 . . . ?
C14 C13 C18 C17 4.7(12) . . . . ?
N3 C13 C18 C17 -178.0(7) . . . . ?
C16 C17 C18 C13 1.0(15) . . . . ?
C18A C13 C14A C15A -2.0(18) . . . . ?
N3 C13 C14A C15A 173.2(10) . . . . ?
C13 C14A C15A C16 9(2) . . . . ?
C17A C16 C15A C14A -10.4(18) . . . . ?
C16 C16 C15A C14A 176.9(10) 3_665 . . . ?
C15A C16 C17A C18A 4.6(16) . . . . ?
C16 C16 C17A C18A 177.2(9) 3_665 . . . ?
C14A C13 C18A C17A -3.7(16) . . . . ?
N3 C13 C18A C17A -178.9(8) . . . . ?
C16 C17A C18A C13 2.4(18) . . . . ?
C21 N3 C19 C20 0.8(3) . . . . ?
C13 N3 C19 C20 -177.2(2) . . . . ?
N3 C19 C20 N4 -0.5(3) . . . . ?
C21 N4 C20 C19 0.0(3) . . . . ?
Co1 N4 C20 C19 -179.77(17) . . . . ?
C20 N4 C21 N3 0.5(2) . . . . ?
Co1 N4 C21 N3 -179.73(14) . . . . ?
C19 N3 C21 N4 -0.8(3) . . . . ?
C13 N3 C21 N4 177.18(19) . . . . ?
