#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:49:31 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258929 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/98/7059871.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_7059871
loop_
_publ_author_name
'Han, Chao'
'Nie, Lei'
'Han, Xiao'
'Zhuang, Xiaoli'
'Zhang, Jingrui'
'Rui, Yulan'
'Meng, Wei'
_publ_section_title
;
 A good-performance glucose sensor fabricated via rationally designing a
 new cobalt--metal--organic framework precursor
;
_journal_issue                   35
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14896
_journal_page_last               14905
_journal_paper_doi               10.1039/D0NJ03403G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C56 H44 Co N4 O14'
_chemical_formula_sum            'C56 H44 Co N4 O14'
_chemical_formula_weight         1055.88
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-07-08
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.02.23 svn.r3390 for OlexSys, GUI svn.r5320)
;
_audit_update_record
;
2019-10-04 deposited with the CCDC.	2020-08-06 downloaded from the CCDC.
;
_cell_angle_alpha                108.0670(10)
_cell_angle_beta                 99.6450(10)
_cell_angle_gamma                110.902(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2988(5)
_cell_length_b                   11.3887(6)
_cell_length_c                   13.0510(7)
_cell_measurement_reflns_used    6708
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.587
_cell_measurement_theta_min      2.531
_cell_volume                     1165.73(11)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_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       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10432
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.588
_diffrn_reflns_theta_min         2.469
_exptl_absorpt_coefficient_mu    0.447
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1265 before and 0.0384 after correction.
The Ratio of minimum to maximum transmission is 0.9099.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_description       block
_exptl_crystal_F_000             547
_refine_diff_density_max         0.493
_refine_diff_density_min         -0.366
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5334
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0348
_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)+(0.0358P)²+0.7136P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0894
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4758
_reflns_number_total             5334
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj03403g2.cif
_cod_data_source_block           2_0m
_cod_depositor_comments          'Adding full bibliography for 7059871.cif.'
_cod_database_code               7059871
_shelx_shelxl_version_number     2016/6
_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, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C24(H24A,H24B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C7(H7), C10(H10), C11(H11), C12(H12), C13(H13), C16(H16), C20(H20),
 C21(H21), C22(H22), C23(H23), C26(H26), C27(H27)
2.c Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C)
2.d Idealised tetrahedral OH refined as rotating group:
 O4(H4), O6(H6)
;
_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
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 1.000000 1.000000 1.000000 0.01524(8) Uani 1 2 d S T P . .
O1 O 0.96903(12) 0.80109(10) 1.00048(9) 0.0175(2) Uani 1 1 d . . . . .
O2 O 0.76078(13) 0.83866(11) 0.94161(9) 0.0186(2) Uani 1 1 d . . . . .
O3 O 0.27200(13) 0.39774(11) 0.78807(10) 0.0228(2) Uani 1 1 d . . . . .
O4 O -0.46130(14) 0.02053(12) 0.35908(10) 0.0280(3) Uani 1 1 d . . . . .
H4 H -0.507027 -0.046676 0.298424 0.042 Uiso 1 1 calc GR . . . .
O5 O -0.31372(17) -0.08944(14) 0.39134(11) 0.0404(4) Uani 1 1 d . . . . .
O6 O 0.85334(13) 0.33663(11) 0.99533(10) 0.0218(2) Uani 1 1 d . . . . .
H6 H 0.887469 0.278745 0.991673 0.033 Uiso 1 1 calc GR . . . .
O7 O 0.63456(14) 0.15655(11) 0.86147(10) 0.0255(3) Uani 1 1 d . . . . .
N1 N 1.01442(15) 0.92757(13) 0.83437(11) 0.0182(3) Uani 1 1 d . . . . .
N2 N 0.91559(16) 0.79661(14) 0.64897(11) 0.0207(3) Uani 1 1 d . . . . .
C1 C 0.81637(17) 0.75783(14) 0.95772(12) 0.0152(3) Uani 1 1 d . . . . .
C2 C 0.70253(17) 0.61078(14) 0.92552(12) 0.0143(3) Uani 1 1 d . . . . .
C3 C 0.53803(17) 0.56590(15) 0.87390(12) 0.0161(3) Uani 1 1 d . . . . .
H3 H 0.500642 0.627620 0.861791 0.019 Uiso 1 1 calc R . . . .
C4 C 0.42886(17) 0.42932(15) 0.84021(12) 0.0158(3) Uani 1 1 d . . . . .
C5 C 0.15090(18) 0.26146(16) 0.75867(13) 0.0191(3) Uani 1 1 d . . . . .
H5A H 0.141823 0.245336 0.826563 0.023 Uiso 1 1 calc R . . . .
H5B H 0.179002 0.193857 0.711728 0.023 Uiso 1 1 calc R . . . .
C6 C -0.00620(18) 0.25176(16) 0.69455(13) 0.0178(3) Uani 1 1 d . . . . .
C7 C -0.10208(18) 0.14064(16) 0.59250(13) 0.0183(3) Uani 1 1 d . . . . .
H7 H -0.069022 0.072275 0.564762 0.022 Uiso 1 1 calc R . . . .
C8 C -0.24736(18) 0.12990(16) 0.53084(13) 0.0192(3) Uani 1 1 d . . . . .
C9 C -0.34246(19) 0.00929(17) 0.42043(14) 0.0235(3) Uani 1 1 d . . . . .
C10 C -0.29752(19) 0.23204(17) 0.57200(14) 0.0227(3) Uani 1 1 d . . . . .
H10 H -0.393630 0.226288 0.531074 0.027 Uiso 1 1 calc R . . . .
C11 C -0.2022(2) 0.34253(18) 0.67490(14) 0.0269(4) Uani 1 1 d . . . . .
H11 H -0.235991 0.410197 0.703428 0.032 Uiso 1 1 calc R . . . .
C12 C -0.0571(2) 0.35321(18) 0.73572(13) 0.0244(3) Uani 1 1 d . . . . .
H12 H 0.006141 0.428280 0.804065 0.029 Uiso 1 1 calc R . . . .
C13 C 0.48364(17) 0.33600(15) 0.85702(12) 0.0152(3) Uani 1 1 d . . . . .
H13 H 0.411519 0.244539 0.833981 0.018 Uiso 1 1 calc R . . . .
C14 C 0.64878(17) 0.38179(15) 0.90909(12) 0.0149(3) Uani 1 1 d . . . . .
C15 C 0.70910(18) 0.27936(15) 0.91876(13) 0.0173(3) Uani 1 1 d . . . . .
C16 C 0.75805(17) 0.51846(15) 0.94456(12) 0.0151(3) Uani 1 1 d . . . . .
H16 H 0.867288 0.547921 0.980690 0.018 Uiso 1 1 calc R . . . .
C17 C 0.89683(18) 0.88304(15) 0.73916(13) 0.0188(3) Uani 1 1 d . . . . .
C18 C 1.05389(19) 0.78192(16) 0.68936(13) 0.0205(3) Uani 1 1 d . . . . .
C19 C 1.11663(18) 0.86672(15) 0.80529(13) 0.0191(3) Uani 1 1 d . . . . .
C20 C 1.2604(2) 0.88040(18) 0.87202(15) 0.0252(3) Uani 1 1 d . . . . .
H20 H 1.304563 0.938354 0.948702 0.030 Uiso 1 1 calc R . . . .
C21 C 1.3348(2) 0.80427(19) 0.81954(17) 0.0310(4) Uani 1 1 d . . . . .
H21 H 1.431594 0.812270 0.861619 0.037 Uiso 1 1 calc R . . . .
C22 C 1.2675(2) 0.7156(2) 0.70465(18) 0.0335(4) Uani 1 1 d . . . . .
H22 H 1.318961 0.663824 0.672875 0.040 Uiso 1 1 calc R . . . .
C23 C 1.1264(2) 0.70275(18) 0.63676(15) 0.0282(4) Uani 1 1 d . . . . .
H23 H 1.082463 0.644394 0.560187 0.034 Uiso 1 1 calc R . . . .
C24 C 0.8046(2) 0.72504(17) 0.53304(13) 0.0248(3) Uani 1 1 d . . . . .
H24A H 0.858256 0.688124 0.483024 0.030 Uiso 1 1 calc R . . . .
H24B H 0.780071 0.790693 0.509885 0.030 Uiso 1 1 calc R . . . .
C25 C 0.64741(19) 0.60942(16) 0.51863(13) 0.0194(3) Uani 1 1 d . . . . .
C26 C 0.5194(2) 0.55510(18) 0.42025(14) 0.0262(4) Uani 1 1 d . . . . .
H26 H 0.530999 0.591924 0.366061 0.031 Uiso 1 1 calc R . . . .
C27 C 0.3740(2) 0.44642(18) 0.40148(14) 0.0276(4) Uani 1 1 d . . . . .
H27 H 0.289960 0.410594 0.334450 0.033 Uiso 1 1 calc R . . . .
C28 C 0.7578(2) 0.91840(18) 0.72979(14) 0.0251(3) Uani 1 1 d . . . . .
H28A H 0.665746 0.846716 0.731800 0.038 Uiso 1 1 calc GR . . . .
H28B H 0.731518 0.928230 0.659505 0.038 Uiso 1 1 calc GR . . . .
H28C H 0.785953 1.003161 0.791996 0.038 Uiso 1 1 calc GR . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0020 '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 0.3490 0.9720 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 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
_geom_angle_publ_flag
O1 Co1 O1 180.0 . 2_777 ?
O2 Co1 O1 118.85(4) 2_777 . ?
O2 Co1 O1 61.16(4) 2_777 2_777 ?
O2 Co1 O1 118.84(4) . 2_777 ?
O2 Co1 O1 61.15(4) . . ?
O2 Co1 O2 180.0 2_777 . ?
N1 Co1 O1 87.27(5) 2_777 2_777 ?
N1 Co1 O1 92.73(5) 2_777 . ?
N1 Co1 O1 92.73(4) . 2_777 ?
N1 Co1 O1 87.27(4) . . ?
N1 Co1 O2 88.95(5) 2_777 2_777 ?
N1 Co1 O2 88.95(5) . . ?
N1 Co1 O2 91.05(5) 2_777 . ?
N1 Co1 O2 91.05(5) . 2_777 ?
N1 Co1 N1 180.0 2_777 . ?
C1 O1 Co1 88.09(8) . . ?
C1 O2 Co1 90.77(9) . . ?
C4 O3 C5 117.91(12) . . ?
C9 O4 H4 109.5 . . ?
C15 O6 H6 109.5 . . ?
C17 N1 Co1 125.83(10) . . ?
C17 N1 C19 106.08(13) . . ?
C19 N1 Co1 123.43(10) . . ?
C17 N2 C18 107.43(13) . . ?
C17 N2 C24 126.11(14) . . ?
C18 N2 C24 126.33(14) . . ?
O1 C1 C2 120.56(13) . . ?
O2 C1 O1 119.91(13) . . ?
O2 C1 C2 119.53(13) . . ?
C3 C2 C1 118.84(13) . . ?
C3 C2 C16 119.59(13) . . ?
C16 C2 C1 121.56(13) . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.61(13) . . ?
C4 C3 H3 119.7 . . ?
O3 C4 C3 114.85(13) . . ?
O3 C4 C13 124.95(13) . . ?
C13 C4 C3 120.16(13) . . ?
O3 C5 H5A 110.4 . . ?
O3 C5 H5B 110.4 . . ?
O3 C5 C6 106.57(12) . . ?
H5A C5 H5B 108.6 . . ?
C6 C5 H5A 110.4 . . ?
C6 C5 H5B 110.4 . . ?
C7 C6 C5 119.81(13) . . ?
C7 C6 C12 119.11(14) . . ?
C12 C6 C5 121.08(14) . . ?
C6 C7 H7 119.5 . . ?
C6 C7 C8 120.95(14) . . ?
C8 C7 H7 119.5 . . ?
C7 C8 C9 118.08(14) . . ?
C10 C8 C7 119.77(14) . . ?
C10 C8 C9 122.13(14) . . ?
O4 C9 C8 113.47(14) . . ?
O5 C9 O4 123.80(15) . . ?
O5 C9 C8 122.73(14) . . ?
C8 C10 H10 120.4 . . ?
C11 C10 C8 119.20(14) . . ?
C11 C10 H10 120.4 . . ?
C10 C11 H11 119.6 . . ?
C12 C11 C10 120.82(15) . . ?
C12 C11 H11 119.6 . . ?
C6 C12 H12 119.9 . . ?
C11 C12 C6 120.13(15) . . ?
C11 C12 H12 119.9 . . ?
C4 C13 H13 120.5 . . ?
C4 C13 C14 118.93(13) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 C15 118.76(13) . . ?
C16 C14 C13 121.21(13) . . ?
C16 C14 C15 119.88(13) . . ?
O6 C15 C14 112.65(12) . . ?
O7 C15 O6 123.60(14) . . ?
O7 C15 C14 123.75(14) . . ?
C2 C16 H16 120.3 . . ?
C14 C16 C2 119.48(13) . . ?
C14 C16 H16 120.3 . . ?
N1 C17 N2 111.95(13) . . ?
N1 C17 C28 125.09(14) . . ?
N2 C17 C28 122.94(14) . . ?
N2 C18 C19 105.50(13) . . ?
N2 C18 C23 132.43(15) . . ?
C23 C18 C19 122.06(15) . . ?
N1 C19 C18 109.00(13) . . ?
C20 C19 N1 130.29(15) . . ?
C20 C19 C18 120.70(15) . . ?
C19 C20 H20 121.3 . . ?
C21 C20 C19 117.36(16) . . ?
C21 C20 H20 121.3 . . ?
C20 C21 H21 119.3 . . ?
C20 C21 C22 121.43(17) . . ?
C22 C21 H21 119.3 . . ?
C21 C22 H22 119.0 . . ?
C23 C22 C21 121.90(16) . . ?
C23 C22 H22 119.0 . . ?
C18 C23 H23 121.8 . . ?
C22 C23 C18 116.46(16) . . ?
C22 C23 H23 121.8 . . ?
N2 C24 H24A 108.8 . . ?
N2 C24 H24B 108.8 . . ?
N2 C24 C25 113.73(13) . . ?
H24A C24 H24B 107.7 . . ?
C25 C24 H24A 108.8 . . ?
C25 C24 H24B 108.8 . . ?
C26 C25 C24 118.58(14) . . ?
C26 C25 C27 118.30(15) . 2_666 ?
C27 C25 C24 123.12(14) 2_666 . ?
C25 C26 H26 119.6 . . ?
C25 C26 C27 120.85(15) . . ?
C27 C26 H26 119.6 . . ?
C25 C27 C26 120.84(15) 2_666 . ?
C25 C27 H27 119.6 2_666 . ?
C26 C27 H27 119.6 . . ?
C17 C28 H28A 109.5 . . ?
C17 C28 H28B 109.5 . . ?
C17 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 O1 2.1815(10) 2_777 ?
Co1 O1 2.1814(10) . ?
Co1 O2 2.1336(11) 2_777 ?
Co1 O2 2.1336(11) . ?
Co1 N1 2.1074(13) . ?
Co1 N1 2.1073(13) 2_777 ?
O1 C1 1.2783(17) . ?
O2 C1 1.2579(18) . ?
O3 C4 1.3642(17) . ?
O3 C5 1.4363(18) . ?
O4 H4 0.8200 . ?
O4 C9 1.3216(19) . ?
O5 C9 1.210(2) . ?
O6 H6 0.8200 . ?
O6 C15 1.3211(18) . ?
O7 C15 1.2172(19) . ?
N1 C17 1.325(2) . ?
N1 C19 1.3983(19) . ?
N2 C17 1.363(2) . ?
N2 C18 1.393(2) . ?
N2 C24 1.460(2) . ?
C1 C2 1.500(2) . ?
C2 C3 1.392(2) . ?
C2 C16 1.393(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.394(2) . ?
C4 C13 1.389(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.505(2) . ?
C6 C7 1.386(2) . ?
C6 C12 1.392(2) . ?
C7 H7 0.9300 . ?
C7 C8 1.394(2) . ?
C8 C9 1.491(2) . ?
C8 C10 1.394(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.389(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.389(2) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.397(2) . ?
C14 C15 1.492(2) . ?
C14 C16 1.392(2) . ?
C16 H16 0.9300 . ?
C17 C28 1.483(2) . ?
C18 C19 1.399(2) . ?
C18 C23 1.394(2) . ?
C19 C20 1.396(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.385(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.398(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.386(3) . ?
C23 H23 0.9300 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.512(2) . ?
C25 C26 1.385(2) . ?
C25 C27 1.386(2) 2_666 ?
C26 H26 0.9300 . ?
C26 C27 1.388(2) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
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 -2.62(14) . . . . ?
Co1 O1 C1 C2 176.86(12) . . . . ?
Co1 O2 C1 O1 2.68(14) . . . . ?
Co1 O2 C1 C2 -176.80(11) . . . . ?
Co1 N1 C17 N2 -156.34(10) . . . . ?
Co1 N1 C17 C28 22.2(2) . . . . ?
Co1 N1 C19 C18 155.81(11) . . . . ?
Co1 N1 C19 C20 -24.6(2) . . . . ?
O1 C1 C2 C3 -176.77(13) . . . . ?
O1 C1 C2 C16 2.3(2) . . . . ?
O2 C1 C2 C3 2.7(2) . . . . ?
O2 C1 C2 C16 -178.26(13) . . . . ?
O3 C4 C13 C14 178.28(13) . . . . ?
O3 C5 C6 C7 131.37(14) . . . . ?
O3 C5 C6 C12 -48.31(19) . . . . ?
N1 C19 C20 C21 178.81(16) . . . . ?
N2 C18 C19 N1 1.90(17) . . . . ?
N2 C18 C19 C20 -177.69(14) . . . . ?
N2 C18 C23 C22 179.22(17) . . . . ?
N2 C24 C25 C26 165.59(15) . . . . ?
N2 C24 C25 C27 -15.4(2) . . . 2_666 ?
C1 C2 C3 C4 178.44(13) . . . . ?
C1 C2 C16 C14 -177.42(13) . . . . ?
C2 C3 C4 O3 -178.38(13) . . . . ?
C2 C3 C4 C13 -0.6(2) . . . . ?
C3 C2 C16 C14 1.6(2) . . . . ?
C3 C4 C13 C14 0.7(2) . . . . ?
C4 O3 C5 C6 -175.41(12) . . . . ?
C4 C13 C14 C15 -175.23(13) . . . . ?
C4 C13 C14 C16 0.3(2) . . . . ?
C5 O3 C4 C3 -175.44(13) . . . . ?
C5 O3 C4 C13 6.9(2) . . . . ?
C5 C6 C7 C8 -179.33(14) . . . . ?
C5 C6 C12 C11 179.71(15) . . . . ?
C6 C7 C8 C9 178.59(15) . . . . ?
C6 C7 C8 C10 0.0(2) . . . . ?
C7 C6 C12 C11 0.0(3) . . . . ?
C7 C8 C9 O4 -168.39(14) . . . . ?
C7 C8 C9 O5 12.4(3) . . . . ?
C7 C8 C10 C11 -0.7(2) . . . . ?
C8 C10 C11 C12 1.1(3) . . . . ?
C9 C8 C10 C11 -179.25(16) . . . . ?
C10 C8 C9 O4 10.2(2) . . . . ?
C10 C8 C9 O5 -168.99(18) . . . . ?
C10 C11 C12 C6 -0.8(3) . . . . ?
C12 C6 C7 C8 0.4(2) . . . . ?
C13 C14 C15 O6 -162.17(13) . . . . ?
C13 C14 C15 O7 18.6(2) . . . . ?
C13 C14 C16 C2 -1.5(2) . . . . ?
C15 C14 C16 C2 174.02(13) . . . . ?
C16 C2 C3 C4 -0.6(2) . . . . ?
C16 C14 C15 O6 22.2(2) . . . . ?
C16 C14 C15 O7 -156.98(15) . . . . ?
C17 N1 C19 C18 -1.14(17) . . . . ?
C17 N1 C19 C20 178.39(16) . . . . ?
C17 N2 C18 C19 -1.92(17) . . . . ?
C17 N2 C18 C23 176.99(17) . . . . ?
C17 N2 C24 C25 -71.7(2) . . . . ?
C18 N2 C17 N1 1.31(18) . . . . ?
C18 N2 C17 C28 -177.26(14) . . . . ?
C18 N2 C24 C25 103.55(18) . . . . ?
C18 C19 C20 C21 -1.7(2) . . . . ?
C19 N1 C17 N2 -0.10(17) . . . . ?
C19 N1 C17 C28 178.43(15) . . . . ?
C19 C18 C23 C22 -2.0(2) . . . . ?
C19 C20 C21 C22 -0.9(3) . . . . ?
C20 C21 C22 C23 2.1(3) . . . . ?
C21 C22 C23 C18 -0.6(3) . . . . ?
C23 C18 C19 N1 -177.16(14) . . . . ?
C23 C18 C19 C20 3.3(2) . . . . ?
C24 N2 C17 N1 177.31(14) . . . . ?
C24 N2 C17 C28 -1.3(2) . . . . ?
C24 N2 C18 C19 -177.92(14) . . . . ?
C24 N2 C18 C23 1.0(3) . . . . ?
C24 C25 C26 C27 178.24(16) . . . . ?
C25 C26 C27 C25 0.8(3) . . . 2_666 ?
C27 C25 C26 C27 -0.8(3) 2_666 . . . ?
