#------------------------------------------------------------------------------
#$Date: 2021-01-07 06:47:45 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260663 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/71/7127125.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_7127125
loop_
_publ_author_name
'Gao, Yajun'
'Zhang, Mingxing'
'Chen, Cong'
'Zhang, Yong'
'Gu, Yuming'
'Wang, Qian'
'Zhang, Wenwei'
'Pan, Yi'
'Ma, Jing'
'Bai, Junfeng'
_publ_section_title
;
 A low symmetry cluster meets a low symmetry ligand to sharply boost MOF
 thermal stability.
;
_journal_issue                   80
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              11985
_journal_page_last               11988
_journal_paper_doi               10.1039/d0cc04543h
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C26 H14 Co2 N2 O8'
_chemical_formula_sum            'C26 H14 Co2 N2 O8'
_chemical_formula_weight         600.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-05-27 deposited with the CCDC.	2020-08-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.706(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3091(15)
_cell_length_b                   14.5181(15)
_cell_length_c                   17.5565(18)
_cell_measurement_reflns_used    4703
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      53.02
_cell_measurement_theta_min      3.84
_cell_volume                     3527.7(6)
_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    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.1277
_diffrn_reflns_av_unetI/netI     0.1257
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20896
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.938
_diffrn_reflns_theta_min         3.839
_exptl_absorpt_coefficient_mu    5.384
_exptl_absorpt_correction_T_max  0.584
_exptl_absorpt_correction_T_min  0.316
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.364
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.032(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.884
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         6290
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.884
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0113P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1156
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                3790
_reflns_number_total             6496
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc04543h2.cif
_cod_data_source_block           1_a_sq_CCDC1
_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 

 Adding full bibliography for 7127124--7127126.cif.
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7127125
_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.
;
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'
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 -0.06658(8) 0.91118(6) 0.40058(7) 0.0563(3) Uani 1 1 d . . . . .
Co2 Co -0.60492(8) 0.63071(7) 0.31901(7) 0.0591(3) Uani 1 1 d . . . . .
C1 C -0.1341(7) 0.7530(5) 0.3847(6) 0.065(2) Uani 1 1 d . . . . .
C2 C -0.1783(6) 0.6596(5) 0.3708(5) 0.062(2) Uani 1 1 d . . . . .
C3 C -0.1298(6) 0.5890(5) 0.3433(5) 0.063(2) Uani 1 1 d . . . . .
H3 H -0.0685 0.6003 0.3349 0.076 Uiso 1 1 calc R U . . .
C4 C -0.1710(7) 0.5012(5) 0.3279(5) 0.065(2) Uani 1 1 d . . . . .
C5 C -0.2637(7) 0.4876(5) 0.3382(5) 0.064(2) Uani 1 1 d . . . . .
H5 H -0.2920 0.4289 0.3288 0.077 Uiso 1 1 calc R U . . .
C6 C -0.3149(6) 0.5582(5) 0.3620(5) 0.060(2) Uani 1 1 d . . . . .
C7 C -0.2720(6) 0.6445(5) 0.3778(5) 0.061(2) Uani 1 1 d . . . . .
H7 H -0.3065 0.6931 0.3934 0.073 Uiso 1 1 calc R U . . .
C8 C -0.4169(7) 0.5436(5) 0.3655(5) 0.063(2) Uani 1 1 d . . . . .
C9 C -0.1228(7) 0.4271(5) 0.2953(6) 0.076(3) Uani 1 1 d . . . . .
C10 C -0.0665(10) 0.4438(7) 0.2426(9) 0.122(5) Uani 1 1 d . . . . .
H10 H -0.0564 0.5046 0.2280 0.147 Uiso 1 1 calc R U . . .
C11 C -0.0255(12) 0.3714(7) 0.2115(10) 0.157(7) Uani 1 1 d . . . . .
H11 H 0.0129 0.3823 0.1762 0.188 Uiso 1 1 calc R U . . .
C12 C -0.0419(10) 0.2831(7) 0.2332(8) 0.123(5) Uani 1 1 d . . . . .
H12 H -0.0149 0.2340 0.2112 0.148 Uiso 1 1 calc R U . . .
C13 C -0.1348(6) 0.3342(5) 0.3131(5) 0.065(2) Uani 1 1 d . . . . .
H13 H -0.1735 0.3205 0.3476 0.078 Uiso 1 1 calc R U . . .
C14 C 0.0524(8) 0.9531(6) 0.5731(6) 0.083(3) Uani 1 1 d . . . . .
H14 H 0.0186 1.0093 0.5661 0.100 Uiso 1 1 calc R U . . .
C15 C 0.1171(9) 0.9378(7) 0.6425(7) 0.099(4) Uani 1 1 d . . . . .
H15 H 0.1237 0.9802 0.6840 0.119 Uiso 1 1 calc R U . . .
C16 C 0.1734(8) 0.8601(6) 0.6523(6) 0.087(3) Uani 1 1 d . . . . .
H16 H 0.2201 0.8502 0.6999 0.104 Uiso 1 1 calc R U . . .
C17 C 0.1613(7) 0.7965(5) 0.5922(5) 0.069(2) Uani 1 1 d . . . . .
C18 C 0.0898(7) 0.8157(5) 0.5249(6) 0.069(2) Uani 1 1 d . . . . .
H18 H 0.0794 0.7721 0.4841 0.082 Uiso 1 1 calc R U . . .
C19 C 0.2194(6) 0.7127(6) 0.5926(5) 0.066(2) Uani 1 1 d . . . . .
C20 C 0.2489(7) 0.6583(6) 0.6595(5) 0.068(2) Uani 1 1 d . . . . .
H20 H 0.2348 0.6764 0.7068 0.082 Uiso 1 1 calc R U . . .
C21 C 0.2999(6) 0.5761(5) 0.6563(5) 0.063(2) Uani 1 1 d . . . . .
C22 C 0.3211(6) 0.5507(5) 0.5870(5) 0.063(2) Uani 1 1 d . . . . .
H22 H 0.3511 0.4938 0.5836 0.075 Uiso 1 1 calc R U . . .
C23 C 0.2980(6) 0.6096(5) 0.5215(5) 0.062(2) Uani 1 1 d . . . . .
C24 C 0.2469(6) 0.6891(5) 0.5248(5) 0.065(2) Uani 1 1 d . . . . .
H24 H 0.2304 0.7279 0.4805 0.078 Uiso 1 1 calc R U . . .
C25 C 0.3331(6) 0.5203(6) 0.7293(5) 0.061(2) Uani 1 1 d . . . . .
C26 C 0.3338(7) 0.5887(6) 0.4510(5) 0.060(2) Uani 1 1 d . . . . .
N1 N -0.0940(5) 0.2638(4) 0.2835(4) 0.070(2) Uani 1 1 d . . . . .
N2 N 0.0334(5) 0.8916(4) 0.5127(4) 0.0620(19) Uani 1 1 d . . . . .
O1 O -0.0541(4) 0.7701(3) 0.3671(4) 0.0668(16) Uani 1 1 d . . . . .
O2 O -0.1737(4) 0.8148(4) 0.4165(4) 0.0758(17) Uani 1 1 d . . . . .
O3 O -0.4483(4) 0.4638(3) 0.3656(3) 0.0657(15) Uani 1 1 d . . . . .
O4 O -0.4673(4) 0.6157(4) 0.3639(4) 0.0729(17) Uani 1 1 d . . . . .
O5 O 0.3842(5) 0.5181(4) 0.4533(3) 0.0723(16) Uani 1 1 d . . . . .
O6 O 0.3179(4) 0.6469(4) 0.3949(3) 0.0671(15) Uani 1 1 d . . . . .
O7 O 0.3575(5) 0.4364(4) 0.7207(3) 0.0780(18) Uani 1 1 d . . . . .
O8 O 0.3365(4) 0.5552(4) 0.7944(3) 0.0732(17) Uani 1 1 d . . . . .
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'
Co Co -0.6628 2.9049 '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'
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
O5 Co1 O8 90.0(2) 3_455 4_464 ?
O5 Co1 O3 104.9(2) 3_455 3 ?
O8 Co1 O3 93.3(2) 4_464 3 ?
O5 Co1 N2 84.8(2) 3_455 . ?
O8 Co1 N2 174.0(3) 4_464 . ?
O3 Co1 N2 85.2(3) 3 . ?
O5 Co1 O2 95.6(2) 3_455 . ?
O8 Co1 O2 86.2(3) 4_464 . ?
O3 Co1 O2 159.5(2) 3 . ?
N2 Co1 O2 97.3(3) . . ?
O5 Co1 O1 156.7(2) 3_455 . ?
O8 Co1 O1 93.5(2) 4_464 . ?
O3 Co1 O1 97.9(2) 3 . ?
N2 Co1 O1 92.5(2) . . ?
O2 Co1 O1 61.7(2) . . ?
O7 Co2 O4 109.2(3) 2_464 . ?
O7 Co2 O6 126.4(3) 2_464 1_455 ?
O4 Co2 O6 115.4(3) . 1_455 ?
O7 Co2 N1 103.2(3) 2_464 3_455 ?
O4 Co2 N1 94.7(3) . 3_455 ?
O6 Co2 N1 101.2(3) 1_455 3_455 ?
O2 C1 O1 119.7(7) . . ?
O2 C1 C2 119.9(8) . . ?
O1 C1 C2 120.3(8) . . ?
C7 C2 C3 119.4(7) . . ?
C7 C2 C1 120.4(7) . . ?
C3 C2 C1 120.0(8) . . ?
C2 C3 C4 120.9(8) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C5 118.1(7) . . ?
C3 C4 C9 121.6(8) . . ?
C5 C4 C9 120.1(7) . . ?
C6 C5 C4 121.7(7) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C5 C6 C7 119.1(8) . . ?
C5 C6 C8 120.4(7) . . ?
C7 C6 C8 120.4(7) . . ?
C2 C7 C6 120.6(7) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
O3 C8 O4 124.5(9) . . ?
O3 C8 C6 119.3(7) . . ?
O4 C8 C6 116.1(7) . . ?
C10 C9 C13 116.0(8) . . ?
C10 C9 C4 122.6(7) . . ?
C13 C9 C4 121.3(8) . . ?
C11 C10 C9 120.3(9) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 118.7(10) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
N1 C12 C11 123.3(9) . . ?
N1 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
N1 C13 C9 123.6(8) . . ?
N1 C13 H13 118.2 . . ?
C9 C13 H13 118.2 . . ?
C15 C14 N2 123.5(8) . . ?
C15 C14 H14 118.3 . . ?
N2 C14 H14 118.3 . . ?
C14 C15 C16 119.7(9) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C15 C16 C17 119.9(10) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C18 C17 C16 116.1(8) . . ?
C18 C17 C19 117.8(8) . . ?
C16 C17 C19 126.0(9) . . ?
N2 C18 C17 125.8(8) . . ?
N2 C18 H18 117.1 . . ?
C17 C18 H18 117.1 . . ?
C24 C19 C20 119.6(8) . . ?
C24 C19 C17 118.8(7) . . ?
C20 C19 C17 121.6(8) . . ?
C19 C20 C21 119.8(8) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 119.7(8) . . ?
C22 C21 C25 121.5(7) . . ?
C20 C21 C25 118.8(8) . . ?
C21 C22 C23 120.1(7) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C24 C23 C22 119.6(7) . . ?
C24 C23 C26 120.4(7) . . ?
C22 C23 C26 119.9(7) . . ?
C23 C24 C19 120.9(8) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
O8 C25 O7 123.2(8) . . ?
O8 C25 C21 120.1(7) . . ?
O7 C25 C21 116.7(8) . . ?
O5 C26 O6 124.0(8) . . ?
O5 C26 C23 117.4(7) . . ?
O6 C26 C23 118.4(7) . . ?
C12 N1 C13 118.0(7) . . ?
C12 N1 Co2 120.2(6) . 3_545 ?
C13 N1 Co2 121.7(6) . 3_545 ?
C18 N2 C14 114.8(8) . . ?
C18 N2 Co1 119.2(6) . . ?
C14 N2 Co1 125.8(6) . . ?
C1 O1 Co1 88.7(4) . . ?
C1 O2 Co1 89.5(5) . . ?
C8 O3 Co1 131.5(6) . 3_445 ?
C8 O4 Co2 128.0(6) . . ?
C26 O5 Co1 151.7(6) . 3_545 ?
C26 O6 Co2 115.3(5) . 1_655 ?
C25 O7 Co2 113.2(5) . 2_665 ?
C25 O8 Co1 141.6(6) . 4_565 ?
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 O5 2.023(5) 3_455 ?
Co1 O8 2.079(6) 4_464 ?
Co1 O3 2.087(5) 3 ?
Co1 N2 2.138(7) . ?
Co1 O2 2.145(6) . ?
Co1 O1 2.150(5) . ?
Co2 O7 1.936(5) 2_464 ?
Co2 O4 1.939(6) . ?
Co2 O6 1.948(5) 1_455 ?
Co2 N1 2.048(6) 3_455 ?
C1 O2 1.264(10) . ?
C1 O1 1.284(9) . ?
C1 C2 1.490(10) . ?
C2 C7 1.394(11) . ?
C2 C3 1.391(11) . ?
C3 C4 1.401(11) . ?
C3 H3 0.9400 . ?
C4 C5 1.397(11) . ?
C4 C9 1.471(11) . ?
C5 C6 1.384(10) . ?
C5 H5 0.9400 . ?
C6 C7 1.392(10) . ?
C6 C8 1.492(11) . ?
C7 H7 0.9400 . ?
C8 O3 1.243(9) . ?
C8 O4 1.266(9) . ?
C9 C10 1.394(14) . ?
C9 C13 1.406(11) . ?
C10 C11 1.381(14) . ?
C10 H10 0.9400 . ?
C11 C12 1.375(14) . ?
C11 H11 0.9400 . ?
C12 N1 1.321(11) . ?
C12 H12 0.9400 . ?
C13 N1 1.346(10) . ?
C13 H13 0.9400 . ?
C14 C15 1.350(13) . ?
C14 N2 1.360(11) . ?
C14 H14 0.9400 . ?
C15 C16 1.370(13) . ?
C15 H15 0.9400 . ?
C16 C17 1.381(12) . ?
C16 H16 0.9400 . ?
C17 C18 1.380(12) . ?
C17 C19 1.472(11) . ?
C18 N2 1.351(10) . ?
C18 H18 0.9400 . ?
C19 C24 1.389(12) . ?
C19 C20 1.389(12) . ?
C20 C21 1.409(11) . ?
C20 H20 0.9400 . ?
C21 C22 1.376(11) . ?
C21 C25 1.489(11) . ?
C22 C23 1.405(11) . ?
C22 H22 0.9400 . ?
C23 C24 1.374(10) . ?
C23 C26 1.486(12) . ?
C24 H24 0.9400 . ?
C25 O8 1.240(10) . ?
C25 O7 1.287(10) . ?
C26 O5 1.248(9) . ?
C26 O6 1.274(9) . ?
N1 Co2 2.048(6) 3_545 ?
O3 Co1 2.087(5) 3_445 ?
O5 Co1 2.023(5) 3_545 ?
O6 Co2 1.948(5) 1_655 ?
O7 Co2 1.936(5) 2_665 ?
O8 Co1 2.079(6) 4_565 ?
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
O2 C1 C2 C7 12.7(13) . . . . ?
O1 C1 C2 C7 -169.6(8) . . . . ?
O2 C1 C2 C3 -173.5(8) . . . . ?
O1 C1 C2 C3 4.2(13) . . . . ?
C7 C2 C3 C4 -4.5(13) . . . . ?
C1 C2 C3 C4 -178.4(9) . . . . ?
C2 C3 C4 C5 2.3(13) . . . . ?
C2 C3 C4 C9 177.0(8) . . . . ?
C3 C4 C5 C6 0.8(13) . . . . ?
C9 C4 C5 C6 -174.0(8) . . . . ?
C4 C5 C6 C7 -1.5(13) . . . . ?
C4 C5 C6 C8 174.4(8) . . . . ?
C3 C2 C7 C6 3.8(12) . . . . ?
C1 C2 C7 C6 177.6(8) . . . . ?
C5 C6 C7 C2 -0.8(12) . . . . ?
C8 C6 C7 C2 -176.7(7) . . . . ?
C5 C6 C8 O3 17.3(12) . . . . ?
C7 C6 C8 O3 -166.8(8) . . . . ?
C5 C6 C8 O4 -159.2(8) . . . . ?
C7 C6 C8 O4 16.7(12) . . . . ?
C3 C4 C9 C10 -33.5(16) . . . . ?
C5 C4 C9 C10 141.2(11) . . . . ?
C3 C4 C9 C13 149.5(9) . . . . ?
C5 C4 C9 C13 -35.8(13) . . . . ?
C13 C9 C10 C11 -1(2) . . . . ?
C4 C9 C10 C11 -177.7(13) . . . . ?
C9 C10 C11 C12 0(2) . . . . ?
C10 C11 C12 N1 -1(3) . . . . ?
C10 C9 C13 N1 1.3(15) . . . . ?
C4 C9 C13 N1 178.5(9) . . . . ?
N2 C14 C15 C16 5.5(19) . . . . ?
C14 C15 C16 C17 -2.2(18) . . . . ?
C15 C16 C17 C18 -1.2(15) . . . . ?
C15 C16 C17 C19 176.6(10) . . . . ?
C16 C17 C18 N2 1.8(14) . . . . ?
C19 C17 C18 N2 -176.2(8) . . . . ?
C18 C17 C19 C24 39.4(12) . . . . ?
C16 C17 C19 C24 -138.4(10) . . . . ?
C18 C17 C19 C20 -142.0(9) . . . . ?
C16 C17 C19 C20 40.2(15) . . . . ?
C24 C19 C20 C21 -4.9(13) . . . . ?
C17 C19 C20 C21 176.5(8) . . . . ?
C19 C20 C21 C22 0.7(13) . . . . ?
C19 C20 C21 C25 178.3(8) . . . . ?
C20 C21 C22 C23 4.4(13) . . . . ?
C25 C21 C22 C23 -173.1(8) . . . . ?
C21 C22 C23 C24 -5.4(13) . . . . ?
C21 C22 C23 C26 170.9(8) . . . . ?
C22 C23 C24 C19 1.2(13) . . . . ?
C26 C23 C24 C19 -175.1(8) . . . . ?
C20 C19 C24 C23 3.9(13) . . . . ?
C17 C19 C24 C23 -177.4(8) . . . . ?
C22 C21 C25 O8 160.7(8) . . . . ?
C20 C21 C25 O8 -16.9(12) . . . . ?
C22 C21 C25 O7 -19.0(12) . . . . ?
C20 C21 C25 O7 163.4(8) . . . . ?
C24 C23 C26 O5 176.2(8) . . . . ?
C22 C23 C26 O5 -0.1(13) . . . . ?
C24 C23 C26 O6 1.5(13) . . . . ?
C22 C23 C26 O6 -174.8(8) . . . . ?
C11 C12 N1 C13 2(2) . . . . ?
C11 C12 N1 Co2 -174.9(13) . . . 3_545 ?
C9 C13 N1 C12 -1.9(15) . . . . ?
C9 C13 N1 Co2 174.8(7) . . . 3_545 ?
C17 C18 N2 C14 1.1(13) . . . . ?
C17 C18 N2 Co1 175.9(7) . . . . ?
C15 C14 N2 C18 -4.8(15) . . . . ?
C15 C14 N2 Co1 -179.2(9) . . . . ?
O2 C1 O1 Co1 -6.1(9) . . . . ?
C2 C1 O1 Co1 176.2(8) . . . . ?
O1 C1 O2 Co1 6.1(9) . . . . ?
C2 C1 O2 Co1 -176.2(7) . . . . ?
O4 C8 O3 Co1 -23.6(13) . . . 3_445 ?
C6 C8 O3 Co1 160.3(6) . . . 3_445 ?
O3 C8 O4 Co2 -28.2(12) . . . . ?
C6 C8 O4 Co2 148.1(6) . . . . ?
O6 C26 O5 Co1 -34.9(19) . . . 3_545 ?
C23 C26 O5 Co1 150.8(10) . . . 3_545 ?
O5 C26 O6 Co2 -9.9(12) . . . 1_655 ?
C23 C26 O6 Co2 164.4(6) . . . 1_655 ?
O8 C25 O7 Co2 2.3(11) . . . 2_665 ?
C21 C25 O7 Co2 -178.0(6) . . . 2_665 ?
O7 C25 O8 Co1 62.5(13) . . . 4_565 ?
C21 C25 O8 Co1 -117.2(9) . . . 4_565 ?
