#------------------------------------------------------------------------------
#$Date: 2021-05-05 11:07:47 +0300 (Wed, 05 May 2021) $
#$Revision: 264879 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/80/7128026.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_7128026
loop_
_publ_author_name
'Ji, Zhenyu'
'Fan, Yerong'
'Wu, Mingyan'
'Hong, Maochun'
_publ_section_title
;
 A flexible microporous framework with temperature-dependent gate-opening
 behaviours for C2 gases.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3785
_journal_page_last               3788
_journal_paper_doi               10.1039/d1cc00014d
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C28 H20 Co2 N6 O8'
_chemical_formula_sum            'C28 H20 Co2 N6 O8'
_chemical_formula_weight         686.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-12-31
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2020-12-31 deposited with the CCDC.	2021-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.5300(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.23320(10)
_cell_length_b                   14.59330(10)
_cell_length_c                   31.8280(3)
_cell_measurement_reflns_used    18391
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      60.2360
_cell_measurement_theta_min      2.9030
_cell_volume                     7525.62(10)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.3405
_diffrn_reflns_av_R_equivalents  0.0240
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            27478
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        53.543
_diffrn_reflns_theta_max         60.488
_diffrn_reflns_theta_min         2.418
_diffrn_source                   'micro-focus metaljet'
_exptl_absorpt_coefficient_mu    5.106
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.28509
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;  
CrysAlisPro 1.171.40.14a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_description       block
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.305
_refine_diff_density_min         -0.292
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         8376
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0327P)²+7.9463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0734
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7283
_reflns_number_total             8621
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc00014d2.cif
_cod_data_source_block           platon_sq
_cod_depositor_comments
'Adding full bibliography for 7128026--7128027.cif.'
_cod_database_code               7128026
_shelx_shelxl_version_number     2018/1
_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 C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C11(H11), C12(H12), C14(H14), C15(H15),
 C19(H19), C20(H20), C22(H22), C24(H24), C25(H25), C26(H26)
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C28(H28A,H28B,H28C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.29731(2) 0.53675(2) 0.86393(2) 0.01005(6) Uani 1 1 d . . . . .
Co2 Co 0.30954(2) 0.53856(2) 0.95135(2) 0.01002(6) Uani 1 1 d . . . . .
O1 O 0.21334(7) 0.43830(8) 0.87221(4) 0.0239(3) Uani 1 1 d . . . . .
O2 O 0.21048(7) 0.45403(8) 0.94211(4) 0.0204(2) Uani 1 1 d . . . . .
O3 O -0.09539(7) 0.12555(8) 0.94399(4) 0.0201(2) Uani 1 1 d . . . . .
O4 O -0.11583(7) 0.13659(8) 0.87381(3) 0.0192(2) Uani 1 1 d . . . . .
O5 O 0.39093(7) 0.44584(8) 0.87277(3) 0.0199(2) Uani 1 1 d . . . . .
O6 O 0.38837(7) 0.43137(7) 0.94274(3) 0.0176(2) Uani 1 1 d . . . . .
O7 O 0.73112(7) 0.14552(7) 0.93881(3) 0.0182(2) Uani 1 1 d . . . . .
O8 O 0.70877(7) 0.13219(8) 0.86907(3) 0.0204(2) Uani 1 1 d . . . . .
N1 N 0.29322(8) 0.53731(9) 0.79976(4) 0.0172(3) Uani 1 1 d . . . . .
N2 N 0.27330(9) 0.50230(9) 0.73286(4) 0.0222(3) Uani 1 1 d . . . . .
N3 N 0.21181(9) 0.37921(9) 0.69591(4) 0.0218(3) Uani 1 1 d . . . . .
N4 N 0.22498(8) 0.36225(9) 0.62198(4) 0.0193(3) Uani 1 1 d . . . . .
N5 N 0.30214(8) 0.46397(8) 0.58389(4) 0.0154(3) Uani 1 1 d . . . . .
N6 N 0.31736(8) 0.47731(8) 0.51587(4) 0.0141(2) Uani 1 1 d . . . . .
C1 C 0.18387(9) 0.42205(11) 0.90707(5) 0.0167(3) Uani 1 1 d . . . . .
C2 C 0.11236(9) 0.35748(11) 0.90695(5) 0.0170(3) Uani 1 1 d . . . . .
C3 C 0.08450(10) 0.31389(12) 0.86996(5) 0.0227(3) Uani 1 1 d . . . . .
H3 H 0.109202 0.327261 0.844366 0.027 Uiso 1 1 calc R U . . .
C4 C 0.02056(10) 0.25080(12) 0.87040(5) 0.0216(3) Uani 1 1 d . . . . .
H4 H 0.000992 0.221598 0.845038 0.026 Uiso 1 1 calc R U . . .
C5 C -0.01477(9) 0.23037(10) 0.90790(5) 0.0153(3) Uani 1 1 d . . . . .
C6 C 0.01203(9) 0.27523(11) 0.94482(5) 0.0188(3) Uani 1 1 d . . . . .
H6 H -0.012931 0.262090 0.970369 0.023 Uiso 1 1 calc R U . . .
C7 C 0.07510(10) 0.33902(11) 0.94432(5) 0.0194(3) Uani 1 1 d . . . . .
H7 H 0.092978 0.370204 0.969451 0.023 Uiso 1 1 calc R U . . .
C8 C -0.08077(9) 0.15891(10) 0.90876(5) 0.0151(3) Uani 1 1 d . . . . .
C9 C 0.41673(9) 0.41255(10) 0.90783(5) 0.0141(3) Uani 1 1 d . . . . .
C10 C 0.48694(9) 0.34660(10) 0.90724(5) 0.0143(3) Uani 1 1 d . . . . .
C11 C 0.53145(9) 0.32384(10) 0.94444(5) 0.0151(3) Uani 1 1 d . . . . .
H11 H 0.515691 0.348096 0.970453 0.018 Uiso 1 1 calc R U . . .
C12 C 0.59895(9) 0.26563(10) 0.94360(5) 0.0153(3) Uani 1 1 d . . . . .
H12 H 0.629768 0.250520 0.968994 0.018 Uiso 1 1 calc R U . . .
C13 C 0.62154(9) 0.22926(10) 0.90532(5) 0.0144(3) Uani 1 1 d . . . . .
C14 C 0.57674(10) 0.25199(11) 0.86818(5) 0.0184(3) Uani 1 1 d . . . . .
H14 H 0.591946 0.227019 0.842199 0.022 Uiso 1 1 calc R U . . .
C15 C 0.50991(10) 0.31100(11) 0.86891(5) 0.0181(3) Uani 1 1 d . . . . .
H15 H 0.479836 0.327187 0.843439 0.022 Uiso 1 1 calc R U . . .
C16 C 0.69293(9) 0.16443(10) 0.90425(5) 0.0149(3) Uani 1 1 d . . . . .
C17 C 0.29063(13) 0.37033(11) 0.78386(5) 0.0275(4) Uani 1 1 d . . . . .
H17A H 0.315511 0.363714 0.812544 0.041 Uiso 1 1 calc R U . . .
H17B H 0.325021 0.338922 0.764103 0.041 Uiso 1 1 calc R U . . .
H17C H 0.235307 0.343197 0.782229 0.041 Uiso 1 1 calc R U . . .
C18 C 0.28469(10) 0.46871(10) 0.77285(5) 0.0163(3) Uani 1 1 d . . . . .
C19 C 0.28588(15) 0.61676(13) 0.77652(6) 0.0389(5) Uani 1 1 d . . . . .
H19 H 0.288428 0.676844 0.788009 0.047 Uiso 1 1 calc R U . . .
C20 C 0.27461(16) 0.59737(12) 0.73523(6) 0.0416(6) Uani 1 1 d . . . . .
H20 H 0.268784 0.639652 0.712549 0.050 Uiso 1 1 calc R U . . .
C21 C 0.25973(10) 0.45310(10) 0.69492(5) 0.0189(3) Uani 1 1 d . . . . .
C22 C 0.29357(10) 0.48547(11) 0.65893(5) 0.0195(3) Uani 1 1 d . . . . .
H22 H 0.328716 0.537542 0.659133 0.023 Uiso 1 1 calc R U . . .
C23 C 0.27253(9) 0.43652(10) 0.62265(5) 0.0156(3) Uani 1 1 d . . . . .
C24 C 0.19780(11) 0.33749(11) 0.65886(5) 0.0221(3) Uani 1 1 d . . . . .
H24 H 0.164563 0.283911 0.658830 0.027 Uiso 1 1 calc R U . . .
C25 C 0.37029(10) 0.52056(11) 0.57933(5) 0.0185(3) Uani 1 1 d . . . . .
H25 H 0.403856 0.548460 0.601249 0.022 Uiso 1 1 calc R U . . .
C26 C 0.37899(9) 0.52773(10) 0.53762(5) 0.0167(3) Uani 1 1 d . . . . .
H26 H 0.420742 0.561917 0.525025 0.020 Uiso 1 1 calc R U . . .
C27 C 0.27176(9) 0.43936(10) 0.54402(5) 0.0140(3) Uani 1 1 d . . . . .
C28 C 0.19687(9) 0.38334(11) 0.53379(5) 0.0187(3) Uani 1 1 d . . . . .
H28A H 0.209473 0.318581 0.539213 0.028 Uiso 1 1 calc R U . . .
H28B H 0.179085 0.391518 0.504046 0.028 Uiso 1 1 calc R U . . .
H28C H 0.152619 0.402939 0.551373 0.028 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 0.0137 0.0067 '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 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -0.6628 2.9049 '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
O1 Co1 Co2 83.26(3) . . ?
O1 Co1 O4 163.63(5) . 3 ?
O1 Co1 O5 91.30(5) . . ?
O1 Co1 O8 89.46(5) . 3_455 ?
O1 Co1 N1 98.84(5) . . ?
O4 Co1 Co2 80.37(3) 3 . ?
O4 Co1 N1 97.53(5) 3 . ?
O5 Co1 Co2 81.97(3) . . ?
O5 Co1 O4 86.60(5) . 3 ?
O5 Co1 N1 96.87(5) . . ?
O8 Co1 Co2 85.39(3) 3_455 . ?
O8 Co1 O4 89.06(5) 3_455 3 ?
O8 Co1 O5 167.16(5) 3_455 . ?
O8 Co1 N1 95.68(5) 3_455 . ?
N1 Co1 Co2 177.64(4) . . ?
O2 Co2 Co1 80.92(3) . . ?
O2 Co2 O6 90.71(5) . . ?
O2 Co2 O7 87.56(5) . 3_455 ?
O2 Co2 N6 94.34(5) . 6_566 ?
O3 Co2 Co1 84.14(3) 3 . ?
O3 Co2 O2 165.00(5) 3 . ?
O3 Co2 O6 88.65(5) 3 . ?
O3 Co2 O7 88.19(5) 3 3_455 ?
O3 Co2 N6 100.66(5) 3 6_566 ?
O6 Co2 Co1 82.27(3) . . ?
O6 Co2 N6 92.68(5) . 6_566 ?
O7 Co2 Co1 78.81(3) 3_455 . ?
O7 Co2 O6 161.04(4) 3_455 . ?
O7 Co2 N6 106.28(5) 3_455 6_566 ?
N6 Co2 Co1 172.99(4) 6_566 . ?
C1 O1 Co1 123.27(10) . . ?
C1 O2 Co2 125.27(10) . . ?
C8 O3 Co2 122.21(10) . 3_445 ?
C8 O4 Co1 126.23(10) . 3_445 ?
C9 O5 Co1 125.41(10) . . ?
C9 O6 Co2 123.34(10) . . ?
C16 O7 Co2 127.34(10) . 3_545 ?
C16 O8 Co1 121.16(10) . 3_545 ?
C18 N1 Co1 130.00(11) . . ?
C18 N1 C19 106.74(14) . . ?
C19 N1 Co1 122.55(11) . . ?
C18 N2 C20 107.87(13) . . ?
C18 N2 C21 128.33(14) . . ?
C20 N2 C21 123.77(14) . . ?
C21 N3 C24 114.63(14) . . ?
C24 N4 C23 115.54(14) . . ?
C25 N5 C23 125.07(13) . . ?
C27 N5 C23 127.51(13) . . ?
C27 N5 C25 107.41(12) . . ?
C26 N6 Co2 123.58(10) . 6_565 ?
C27 N6 Co2 128.79(10) . 6_565 ?
C27 N6 C26 107.49(12) . . ?
O1 C1 O2 125.63(14) . . ?
O1 C1 C2 117.00(14) . . ?
O2 C1 C2 117.35(14) . . ?
C3 C2 C1 120.20(14) . . ?
C3 C2 C7 119.95(14) . . ?
C7 C2 C1 119.83(14) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 119.98(15) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 120.00(15) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 120.07(14) . . ?
C4 C5 C8 119.98(14) . . ?
C6 C5 C8 119.95(14) . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 119.96(14) . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.00(15) . . ?
C6 C7 H7 120.0 . . ?
O3 C8 O4 125.92(14) . . ?
O3 C8 C5 117.42(13) . . ?
O4 C8 C5 116.65(13) . . ?
O5 C9 C10 116.63(13) . . ?
O6 C9 O5 125.16(13) . . ?
O6 C9 C10 118.21(13) . . ?
C11 C10 C9 120.07(13) . . ?
C11 C10 C15 120.16(14) . . ?
C15 C10 C9 119.71(13) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 C10 119.99(14) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 119.92(14) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C16 120.29(13) . . ?
C14 C13 C12 119.94(13) . . ?
C14 C13 C16 119.76(14) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.20(14) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 H15 120.1 . . ?
C14 C15 C10 119.78(14) . . ?
C14 C15 H15 120.1 . . ?
O7 C16 C13 117.27(13) . . ?
O8 C16 O7 125.45(14) . . ?
O8 C16 C13 117.27(13) . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
N1 C18 N2 109.60(13) . . ?
N1 C18 C17 125.45(14) . . ?
N2 C18 C17 124.89(14) . . ?
N1 C19 H19 124.8 . . ?
C20 C19 N1 110.48(16) . . ?
C20 C19 H19 124.8 . . ?
N2 C20 H20 127.4 . . ?
C19 C20 N2 105.29(15) . . ?
C19 C20 H20 127.4 . . ?
N3 C21 N2 116.92(14) . . ?
N3 C21 C22 123.96(14) . . ?
C22 C21 N2 119.07(14) . . ?
C21 C22 H22 122.4 . . ?
C23 C22 C21 115.13(15) . . ?
C23 C22 H22 122.4 . . ?
N4 C23 N5 116.51(13) . . ?
N4 C23 C22 123.22(14) . . ?
C22 C23 N5 120.27(14) . . ?
N3 C24 H24 116.2 . . ?
N4 C24 N3 127.50(15) . . ?
N4 C24 H24 116.2 . . ?
N5 C25 H25 126.9 . . ?
C26 C25 N5 106.27(13) . . ?
C26 C25 H25 126.9 . . ?
N6 C26 H26 125.3 . . ?
C25 C26 N6 109.47(13) . . ?
C25 C26 H26 125.3 . . ?
N5 C27 C28 125.89(13) . . ?
N6 C27 N5 109.36(13) . . ?
N6 C27 C28 124.67(13) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
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 Co2 2.7773(3) . ?
Co1 O1 2.0089(11) . ?
Co1 O4 2.0385(11) 3 ?
Co1 O5 2.0240(11) . ?
Co1 O8 2.0151(11) 3_455 ?
Co1 N1 2.0394(13) . ?
Co2 O2 2.0336(11) . ?
Co2 O3 2.0231(11) 3 ?
Co2 O6 2.0500(10) . ?
Co2 O7 2.0381(10) 3_455 ?
Co2 N6 2.0626(13) 6_566 ?
O1 C1 1.2576(19) . ?
O2 C1 1.2604(19) . ?
O3 C8 1.2583(18) . ?
O4 C8 1.2609(19) . ?
O5 C9 1.2645(18) . ?
O6 C9 1.2590(18) . ?
O7 C16 1.2597(18) . ?
O8 C16 1.2557(18) . ?
N1 C18 1.3192(19) . ?
N1 C19 1.377(2) . ?
N2 C18 1.3660(19) . ?
N2 C20 1.389(2) . ?
N2 C21 1.411(2) . ?
N3 C21 1.331(2) . ?
N3 C24 1.334(2) . ?
N4 C23 1.330(2) . ?
N4 C24 1.329(2) . ?
N5 C23 1.4095(19) . ?
N5 C25 1.3952(19) . ?
N5 C27 1.3804(19) . ?
N6 C26 1.3916(19) . ?
N6 C27 1.3187(19) . ?
C1 C2 1.495(2) . ?
C2 C3 1.389(2) . ?
C2 C7 1.393(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.388(2) . ?
C5 C6 1.392(2) . ?
C5 C8 1.497(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.385(2) . ?
C7 H7 0.9500 . ?
C9 C10 1.4927(19) . ?
C10 C11 1.389(2) . ?
C10 C15 1.398(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(2) . ?
C12 H12 0.9500 . ?
C12 C13 1.398(2) . ?
C13 C14 1.390(2) . ?
C13 C16 1.4981(19) . ?
C14 H14 0.9500 . ?
C14 C15 1.386(2) . ?
C15 H15 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C17 C18 1.480(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.346(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.384(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.383(2) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.348(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.484(2) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
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
Co1 O1 C1 O2 -11.2(2) . . . . ?
Co1 O1 C1 C2 170.34(10) . . . . ?
Co1 O4 C8 O3 -2.7(2) 3_445 . . . ?
Co1 O4 C8 C5 176.13(9) 3_445 . . . ?
Co1 O5 C9 O6 -0.5(2) . . . . ?
Co1 O5 C9 C10 -179.81(10) . . . . ?
Co1 O8 C16 O7 3.5(2) 3_545 . . . ?
Co1 O8 C16 C13 -175.11(10) 3_545 . . . ?
Co1 N1 C18 N2 171.25(11) . . . . ?
Co1 N1 C18 C17 -11.6(2) . . . . ?
Co1 N1 C19 C20 -172.55(16) . . . . ?
Co2 O2 C1 O1 -1.2(2) . . . . ?
Co2 O2 C1 C2 177.29(10) . . . . ?
Co2 O3 C8 O4 -7.8(2) 3_445 . . . ?
Co2 O3 C8 C5 173.36(10) 3_445 . . . ?
Co2 O6 C9 O5 -12.4(2) . . . . ?
Co2 O6 C9 C10 166.96(10) . . . . ?
Co2 O7 C16 O8 -15.6(2) 3_545 . . . ?
Co2 O7 C16 C13 163.08(10) 3_545 . . . ?
Co2 N6 C26 C25 -176.26(11) 6_565 . . . ?
Co2 N6 C27 N5 175.76(9) 6_565 . . . ?
Co2 N6 C27 C28 -7.3(2) 6_565 . . . ?
O1 C1 C2 C3 4.0(2) . . . . ?
O1 C1 C2 C7 -177.84(15) . . . . ?
O2 C1 C2 C3 -174.60(15) . . . . ?
O2 C1 C2 C7 3.6(2) . . . . ?
O5 C9 C10 C11 164.72(14) . . . . ?
O5 C9 C10 C15 -12.5(2) . . . . ?
O6 C9 C10 C11 -14.7(2) . . . . ?
O6 C9 C10 C15 168.10(14) . . . . ?
N1 C19 C20 N2 1.2(3) . . . . ?
N2 C21 C22 C23 -175.79(15) . . . . ?
N3 C21 C22 C23 1.6(2) . . . . ?
N5 C25 C26 N6 0.40(17) . . . . ?
C1 C2 C3 C4 177.03(15) . . . . ?
C1 C2 C7 C6 -176.22(15) . . . . ?
C2 C3 C4 C5 -0.9(3) . . . . ?
C3 C2 C7 C6 1.9(2) . . . . ?
C3 C4 C5 C6 2.1(3) . . . . ?
C3 C4 C5 C8 -176.91(15) . . . . ?
C4 C5 C6 C7 -1.2(2) . . . . ?
C4 C5 C8 O3 161.65(15) . . . . ?
C4 C5 C8 O4 -17.3(2) . . . . ?
C5 C6 C7 C2 -0.8(2) . . . . ?
C6 C5 C8 O3 -17.3(2) . . . . ?
C6 C5 C8 O4 163.77(14) . . . . ?
C7 C2 C3 C4 -1.1(3) . . . . ?
C8 C5 C6 C7 177.73(14) . . . . ?
C9 C10 C11 C12 -177.18(14) . . . . ?
C9 C10 C15 C14 177.98(14) . . . . ?
C10 C11 C12 C13 -0.6(2) . . . . ?
C11 C10 C15 C14 0.7(2) . . . . ?
C11 C12 C13 C14 0.5(2) . . . . ?
C11 C12 C13 C16 -178.37(13) . . . . ?
C12 C13 C14 C15 0.3(2) . . . . ?
C12 C13 C16 O7 -0.6(2) . . . . ?
C12 C13 C16 O8 178.13(14) . . . . ?
C13 C14 C15 C10 -0.9(2) . . . . ?
C14 C13 C16 O7 -179.48(14) . . . . ?
C14 C13 C16 O8 -0.7(2) . . . . ?
C15 C10 C11 C12 0.0(2) . . . . ?
C16 C13 C14 C15 179.17(14) . . . . ?
C18 N1 C19 C20 -1.3(3) . . . . ?
C18 N2 C20 C19 -0.6(2) . . . . ?
C18 N2 C21 N3 38.5(3) . . . . ?
C18 N2 C21 C22 -144.01(17) . . . . ?
C19 N1 C18 N2 0.9(2) . . . . ?
C19 N1 C18 C17 178.09(18) . . . . ?
C20 N2 C18 N1 -0.2(2) . . . . ?
C20 N2 C18 C17 -177.41(18) . . . . ?
C20 N2 C21 N3 -139.41(19) . . . . ?
C20 N2 C21 C22 38.1(3) . . . . ?
C21 N2 C18 N1 -178.33(15) . . . . ?
C21 N2 C18 C17 4.5(3) . . . . ?
C21 N2 C20 C19 177.64(19) . . . . ?
C21 N3 C24 N4 -1.1(3) . . . . ?
C21 C22 C23 N4 -1.6(2) . . . . ?
C21 C22 C23 N5 178.90(14) . . . . ?
C23 N4 C24 N3 1.1(3) . . . . ?
C23 N5 C25 C26 178.31(14) . . . . ?
C23 N5 C27 N6 -178.45(14) . . . . ?
C23 N5 C27 C28 4.7(2) . . . . ?
C24 N3 C21 N2 177.08(15) . . . . ?
C24 N3 C21 C22 -0.3(2) . . . . ?
C24 N4 C23 N5 179.93(14) . . . . ?
C24 N4 C23 C22 0.4(2) . . . . ?
C25 N5 C23 N4 -159.78(14) . . . . ?
C25 N5 C23 C22 19.7(2) . . . . ?
C25 N5 C27 N6 0.16(17) . . . . ?
C25 N5 C27 C28 -176.69(15) . . . . ?
C26 N6 C27 N5 0.09(16) . . . . ?
C26 N6 C27 C28 176.99(14) . . . . ?
C27 N5 C23 N4 18.6(2) . . . . ?
C27 N5 C23 C22 -161.88(15) . . . . ?
C27 N5 C25 C26 -0.35(17) . . . . ?
C27 N6 C26 C25 -0.31(17) . . . . ?
