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#$Date: 2025-04-05 06:22:25 +0300 (Sat, 05 Apr 2025) $
#$Revision: 298942 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/75/7717538.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_7717538
loop_
_publ_author_name
'Zhang, Yi-Ru'
'Liang, Yan-Bing'
'Jian, Dan'
'Wu, Jian-Zhong'
'Ou, Yong-Cong'
_publ_section_title
;
 New cobalt-based metal-organic frameworks for catalysing sulfite in the
 degradation of reactive brilliant red.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1222
_journal_page_last               1230
_journal_paper_doi               10.1039/d4dt03000a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C19 H20 Co N2 O7'
_chemical_formula_weight         447.30
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-09-30 deposited with the CCDC.	2024-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                112.632(7)
_cell_angle_beta                 96.062(6)
_cell_angle_gamma                98.241(6)
_cell_formula_units_Z            2
_cell_length_a                   9.5570(6)
_cell_length_b                   10.0876(7)
_cell_length_c                   10.4840(7)
_cell_measurement_reflns_used    2369
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.5089
_cell_measurement_theta_min      4.6385
_cell_volume                     908.86(12)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
;
_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 16.0855
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4188
_diffrn_reflns_point_group_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        62.573
_diffrn_reflns_theta_max         62.573
_diffrn_reflns_theta_min         4.642
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    7.833
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.40945
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.42 (release 29-05-2009 CrysAlis171 .NET)
(compiled May 29 2009,17:40:42)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_description       sheet
_exptl_crystal_F_000             462
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.448
_refine_diff_density_min         -0.384
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.938
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2779
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.0498
_refine_ls_R_factor_gt           0.0414
_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)+(0.0660P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1002
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2248
_reflns_number_total             2779
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03000a2.cif
_cod_data_source_block           com
_cod_depositor_comments
'Adding full bibliography for 7717538--7717541.cif.'
_cod_original_cell_volume        908.86(11)
_cod_database_code               7717538
_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.
;
_shelx_estimated_absorpt_t_min   0.386
_shelx_estimated_absorpt_t_max   0.539
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 0.69092(5) 0.64505(5) 0.51805(5) 0.02843(18) Uani 1 1 d . . . . .
N1 N 0.6935(3) 0.4601(3) 0.3259(3) 0.0321(6) Uani 1 1 d . . . . .
N2 N 0.6939(3) -0.1650(3) -0.2926(3) 0.0327(6) Uani 1 1 d . . . . .
O1 O 0.7089(2) 0.5244(2) 0.6358(2) 0.0354(5) Uani 1 1 d . . . . .
O1W O 0.7273(4) 0.8332(3) 1.1704(3) 0.0773(10) Uani 1 1 d . . . . .
H1WA H 0.751108 0.830191 1.246181 0.093 Uiso 1 1 d R U . . .
H1WB H 0.799093 0.881056 1.163797 0.093 Uiso 1 1 d R U . . .
O2 O 0.5135(2) 0.3473(2) 0.5436(2) 0.0394(6) Uani 1 1 d . . . . .
O3 O 0.7049(3) 0.5695(3) 0.9586(3) 0.0552(7) Uani 1 1 d . . . . .
H3O H 0.706697 0.660650 1.034320 0.066 Uiso 1 1 d R U . . .
O4 O 0.9283(3) 0.6597(3) 0.9504(3) 0.0607(8) Uani 1 1 d . . . . .
O5 O 1.0784(2) 0.2975(3) 0.4659(2) 0.0403(6) Uani 1 1 d . . . . .
O6 O 1.2100(2) 0.2282(2) 0.6034(3) 0.0444(6) Uani 1 1 d . . . . .
C1 C 0.6850(3) 0.3245(4) 0.7086(3) 0.0341(8) Uani 1 1 d . . . . .
H1A H 0.612396 0.316309 0.765940 0.041 Uiso 1 1 calc R U . . .
C2 C 0.8294(3) 0.4035(4) 0.8104(3) 0.0352(8) Uani 1 1 d . . . . .
H2B H 0.843605 0.348414 0.868377 0.042 Uiso 1 1 calc R U . . .
C3 C 0.9569(3) 0.3986(4) 0.7346(3) 0.0368(8) Uani 1 1 d . . . . .
H3A H 1.044708 0.442480 0.803460 0.044 Uiso 1 1 calc R U . . .
H3B H 0.949864 0.456432 0.679506 0.044 Uiso 1 1 calc R U . . .
C4 C 0.9649(4) 0.2405(4) 0.6368(4) 0.0364(8) Uani 1 1 d . . . . .
H4A H 0.984157 0.186231 0.694582 0.044 Uiso 1 1 calc R U . . .
C5 C 0.8227(4) 0.1627(4) 0.5361(4) 0.0411(9) Uani 1 1 d . . . . .
H5A H 0.807817 0.209090 0.471498 0.049 Uiso 1 1 calc R U . . .
H5B H 0.826987 0.061375 0.481668 0.049 Uiso 1 1 calc R U . . .
C6 C 0.6968(4) 0.1676(4) 0.6143(4) 0.0402(8) Uani 1 1 d . . . . .
H6A H 0.707194 0.112563 0.671639 0.048 Uiso 1 1 calc R U . . .
H6B H 0.608498 0.120379 0.546517 0.048 Uiso 1 1 calc R U . . .
C7 C 0.6329(3) 0.4065(4) 0.6229(3) 0.0312(7) Uani 1 1 d . . . . .
C8 C 0.8278(4) 0.5580(4) 0.9106(4) 0.0418(9) Uani 1 1 d . . . . .
C9 C 1.0910(4) 0.2517(3) 0.5622(4) 0.0364(8) Uani 1 1 d . . . . .
C10 C 0.7874(4) 0.3736(3) 0.3233(3) 0.0337(8) Uani 1 1 d . . . . .
H10A H 0.850664 0.395265 0.405632 0.040 Uiso 1 1 calc R U . . .
C11 C 0.7957(4) 0.2538(4) 0.2048(3) 0.0356(8) Uani 1 1 d . . . . .
H11A H 0.863360 0.196990 0.208098 0.043 Uiso 1 1 calc R U . . .
C12 C 0.7020(3) 0.2184(3) 0.0803(3) 0.0318(7) Uani 1 1 d . . . . .
C13 C 0.6079(4) 0.3110(4) 0.0823(3) 0.0373(8) Uani 1 1 d . . . . .
H13A H 0.545272 0.293680 0.000833 0.045 Uiso 1 1 calc R U . . .
C14 C 0.6069(4) 0.4285(4) 0.2044(3) 0.0369(8) Uani 1 1 d . . . . .
H14A H 0.542908 0.489350 0.202832 0.044 Uiso 1 1 calc R U . . .
C15 C 0.7020(4) 0.0858(3) -0.0488(3) 0.0326(7) Uani 1 1 d . . . . .
C16 C 0.8244(4) 0.0334(4) -0.0818(4) 0.0442(9) Uani 1 1 d . . . . .
H16A H 0.912134 0.081204 -0.022472 0.053 Uiso 1 1 calc R U . . .
C17 C 0.8174(4) -0.0899(4) -0.2028(4) 0.0456(10) Uani 1 1 d . . . . .
H17A H 0.901793 -0.122701 -0.223221 0.055 Uiso 1 1 calc R U . . .
C18 C 0.5764(4) -0.1136(4) -0.2600(3) 0.0369(8) Uani 1 1 d . . . . .
H18A H 0.489854 -0.163749 -0.320509 0.044 Uiso 1 1 calc R U . . .
C19 C 0.5745(4) 0.0090(4) -0.1424(3) 0.0370(8) Uani 1 1 d . . . . .
H19A H 0.488763 0.040485 -0.125536 0.044 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 '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
O2 Co1 O1 113.45(10) 2_666 . ?
O2 Co1 N2 87.68(9) 2_666 1_566 ?
O1 Co1 N2 89.22(10) . 1_566 ?
O2 Co1 N1 93.05(10) 2_666 . ?
O1 Co1 N1 92.40(9) . . ?
N2 Co1 N1 177.79(11) 1_566 . ?
O2 Co1 O5 153.48(11) 2_666 2_766 ?
O1 Co1 O5 93.04(9) . 2_766 ?
N2 Co1 O5 91.59(9) 1_566 2_766 ?
N1 Co1 O5 86.82(9) . 2_766 ?
O2 Co1 O6 95.24(10) 2_666 2_766 ?
O1 Co1 O6 151.01(9) . 2_766 ?
N2 Co1 O6 96.32(9) 1_566 2_766 ?
N1 Co1 O6 81.54(9) . 2_766 ?
O5 Co1 O6 58.48(9) 2_766 2_766 ?
C10 N1 C14 116.8(3) . . ?
C10 N1 Co1 120.0(2) . . ?
C14 N1 Co1 123.2(2) . . ?
C18 N2 C17 116.4(3) . . ?
C18 N2 Co1 122.4(2) . 1_544 ?
C17 N2 Co1 121.2(2) . 1_544 ?
C7 O1 Co1 130.2(2) . . ?
H1WA O1W H1WB 101.4 . . ?
C7 O2 Co1 150.2(2) . 2_666 ?
C8 O3 H3O 114.5 . . ?
C9 O5 Co1 92.7(2) . 2_766 ?
C9 O6 Co1 86.6(2) . 2_766 ?
C7 C1 C6 111.9(3) . . ?
C7 C1 C2 114.2(3) . . ?
C6 C1 C2 109.1(3) . . ?
C7 C1 H1A 107.1 . . ?
C6 C1 H1A 107.1 . . ?
C2 C1 H1A 107.1 . . ?
C8 C2 C3 111.5(3) . . ?
C8 C2 C1 113.2(3) . . ?
C3 C2 C1 112.7(3) . . ?
C8 C2 H2B 106.3 . . ?
C3 C2 H2B 106.3 . . ?
C1 C2 H2B 106.3 . . ?
C2 C3 C4 112.4(3) . . ?
C2 C3 H3A 109.1 . . ?
C4 C3 H3A 109.1 . . ?
C2 C3 H3B 109.1 . . ?
C4 C3 H3B 109.1 . . ?
H3A C3 H3B 107.9 . . ?
C9 C4 C5 113.1(3) . . ?
C9 C4 C3 107.1(3) . . ?
C5 C4 C3 110.6(3) . . ?
C9 C4 H4A 108.6 . . ?
C5 C4 H4A 108.6 . . ?
C3 C4 H4A 108.6 . . ?
C6 C5 C4 111.7(3) . . ?
C6 C5 H5A 109.3 . . ?
C4 C5 H5A 109.3 . . ?
C6 C5 H5B 109.3 . . ?
C4 C5 H5B 109.3 . . ?
H5A C5 H5B 107.9 . . ?
C5 C6 C1 113.0(3) . . ?
C5 C6 H6A 109.0 . . ?
C1 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
C1 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
O1 C7 O2 125.2(3) . . ?
O1 C7 C1 119.5(3) . . ?
O2 C7 C1 115.3(3) . . ?
O4 C8 O3 122.5(3) . . ?
O4 C8 C2 124.8(3) . . ?
O3 C8 C2 112.6(3) . . ?
O6 C9 O5 120.3(3) . . ?
O6 C9 C4 120.7(3) . . ?
O5 C9 C4 118.7(3) . . ?
N1 C10 C11 123.4(3) . . ?
N1 C10 H10A 118.3 . . ?
C11 C10 H10A 118.3 . . ?
C10 C11 C12 119.6(3) . . ?
C10 C11 H11A 120.2 . . ?
C12 C11 H11A 120.2 . . ?
C13 C12 C11 116.8(3) . . ?
C13 C12 C15 121.6(3) . . ?
C11 C12 C15 121.6(3) . . ?
C14 C13 C12 120.0(3) . . ?
C14 C13 H13A 120.0 . . ?
C12 C13 H13A 120.0 . . ?
N1 C14 C13 123.4(3) . . ?
N1 C14 H14A 118.3 . . ?
C13 C14 H14A 118.3 . . ?
C16 C15 C19 116.9(3) . . ?
C16 C15 C12 122.8(3) . . ?
C19 C15 C12 120.3(3) . . ?
C15 C16 C17 120.1(3) . . ?
C15 C16 H16A 120.0 . . ?
C17 C16 H16A 120.0 . . ?
N2 C17 C16 123.0(3) . . ?
N2 C17 H17A 118.5 . . ?
C16 C17 H17A 118.5 . . ?
N2 C18 C19 124.1(3) . . ?
N2 C18 H18A 117.9 . . ?
C19 C18 H18A 117.9 . . ?
C18 C19 C15 119.4(3) . . ?
C18 C19 H19A 120.3 . . ?
C15 C19 H19A 120.3 . . ?
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 O2 2.014(2) 2_666 ?
Co1 O1 2.050(2) . ?
Co1 N2 2.158(2) 1_566 ?
Co1 N1 2.162(2) . ?
Co1 O5 2.169(2) 2_766 ?
Co1 O6 2.305(3) 2_766 ?
N1 C10 1.333(4) . ?
N1 C14 1.341(4) . ?
N2 C18 1.325(4) . ?
N2 C17 1.347(4) . ?
O1 C7 1.252(4) . ?
O1W H1WA 0.8166 . ?
O1W H1WB 0.8061 . ?
O2 C7 1.253(4) . ?
O3 C8 1.328(4) . ?
O3 H3O 0.9527 . ?
O4 C8 1.205(4) . ?
O5 C9 1.263(4) . ?
O6 C9 1.261(4) . ?
C1 C7 1.529(5) . ?
C1 C6 1.537(5) . ?
C1 C2 1.548(4) . ?
C1 H1A 0.9800 . ?
C2 C8 1.512(5) . ?
C2 C3 1.519(5) . ?
C2 H2B 0.9800 . ?
C3 C4 1.548(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C9 1.518(5) . ?
C4 C5 1.527(5) . ?
C4 H4A 0.9800 . ?
C5 C6 1.522(5) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C10 C11 1.380(4) . ?
C10 H10A 0.9300 . ?
C11 C12 1.391(4) . ?
C11 H11A 0.9300 . ?
C12 C13 1.383(4) . ?
C12 C15 1.493(4) . ?
C13 C14 1.371(4) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C16 1.375(5) . ?
C15 C19 1.393(5) . ?
C16 C17 1.380(5) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 C19 1.374(4) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
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
O1W H1WA O6 0.82 1.90 2.703(4) 165.6 2_767 yes
O3 H3O O1W 0.95 1.74 2.691(4) 174.2 . yes
C10 H10A O5 0.93 2.63 3.343(4) 134.0 . yes
C14 H14A O3 0.93 2.61 3.282(4) 129.8 2_666 yes
C16 H16A O4 0.93 2.61 3.316(5) 133.0 2_766 yes
C17 H17A O5 0.93 2.52 3.117(4) 122.1 2_755 yes
C18 H18A O2 0.93 2.35 2.936(4) 120.5 2_655 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
C7 C1 C2 C8 55.4(4) . . . . ?
C6 C1 C2 C8 -178.6(3) . . . . ?
C7 C1 C2 C3 -72.3(4) . . . . ?
C6 C1 C2 C3 53.8(4) . . . . ?
C8 C2 C3 C4 177.2(3) . . . . ?
C1 C2 C3 C4 -54.2(4) . . . . ?
C2 C3 C4 C9 177.0(3) . . . . ?
C2 C3 C4 C5 53.3(4) . . . . ?
C9 C4 C5 C6 -174.0(3) . . . . ?
C3 C4 C5 C6 -53.9(4) . . . . ?
C4 C5 C6 C1 56.6(4) . . . . ?
C7 C1 C6 C5 72.3(4) . . . . ?
C2 C1 C6 C5 -55.0(4) . . . . ?
Co1 O1 C7 O2 -11.2(4) . . . . ?
Co1 O1 C7 C1 168.9(2) . . . . ?
Co1 O2 C7 O1 -58.1(6) 2_666 . . . ?
Co1 O2 C7 C1 121.7(4) 2_666 . . . ?
C6 C1 C7 O1 -122.1(3) . . . . ?
C2 C1 C7 O1 2.4(4) . . . . ?
C6 C1 C7 O2 58.1(4) . . . . ?
C2 C1 C7 O2 -177.4(3) . . . . ?
C3 C2 C8 O4 -15.6(5) . . . . ?
C1 C2 C8 O4 -143.9(4) . . . . ?
C3 C2 C8 O3 168.4(3) . . . . ?
C1 C2 C8 O3 40.1(4) . . . . ?
Co1 O6 C9 O5 13.3(3) 2_766 . . . ?
Co1 O6 C9 C4 -160.5(3) 2_766 . . . ?
Co1 O5 C9 O6 -14.1(3) 2_766 . . . ?
Co1 O5 C9 C4 159.8(2) 2_766 . . . ?
C5 C4 C9 O6 -137.7(3) . . . . ?
C3 C4 C9 O6 100.2(3) . . . . ?
C5 C4 C9 O5 48.4(4) . . . . ?
C3 C4 C9 O5 -73.7(4) . . . . ?
C14 N1 C10 C11 -2.0(5) . . . . ?
Co1 N1 C10 C11 -180.0(3) . . . . ?
N1 C10 C11 C12 -0.3(6) . . . . ?
C10 C11 C12 C13 2.3(5) . . . . ?
C10 C11 C12 C15 -177.0(3) . . . . ?
C11 C12 C13 C14 -2.0(5) . . . . ?
C15 C12 C13 C14 177.3(3) . . . . ?
C10 N1 C14 C13 2.3(5) . . . . ?
Co1 N1 C14 C13 -179.8(3) . . . . ?
C12 C13 C14 N1 -0.3(6) . . . . ?
C13 C12 C15 C16 147.3(4) . . . . ?
C11 C12 C15 C16 -33.5(5) . . . . ?
C13 C12 C15 C19 -32.6(5) . . . . ?
C11 C12 C15 C19 146.6(4) . . . . ?
C19 C15 C16 C17 -0.1(6) . . . . ?
C12 C15 C16 C17 180.0(3) . . . . ?
C18 N2 C17 C16 0.6(6) . . . . ?
Co1 N2 C17 C16 178.9(3) 1_544 . . . ?
C15 C16 C17 N2 -0.5(6) . . . . ?
C17 N2 C18 C19 0.0(5) . . . . ?
Co1 N2 C18 C19 -178.3(3) 1_544 . . . ?
N2 C18 C19 C15 -0.7(6) . . . . ?
C16 C15 C19 C18 0.7(5) . . . . ?
C12 C15 C19 C18 -179.4(3) . . . . ?
