#------------------------------------------------------------------------------
#$Date: 2022-09-15 01:31:47 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277850 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/54/7245494.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_7245494
loop_
_publ_author_name
'Zhao, Qiang'
'Li, Qi-yang'
'Li, Jing'
_publ_section_title
;
 Structures, fluorescence and magnetism of a series of coordination
 polymers driven by a tricarboxypyridine ligand
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE00726F
_journal_year                    2022
_chemical_formula_sum            'C26 H19 Co N3 O9'
_chemical_formula_weight         576.33
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2022-05-20 deposited with the CCDC.	2022-08-24 downloaded from the CCDC.
;
_cell_angle_alpha                103.26(3)
_cell_angle_beta                 106.01(2)
_cell_angle_gamma                103.516(19)
_cell_formula_units_Z            2
_cell_length_a                   7.890(10)
_cell_length_b                   12.450(16)
_cell_length_c                   14.00(2)
_cell_measurement_reflns_used    1113
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      46.568
_cell_measurement_theta_min      6.248
_cell_volume                     1220(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_sigmaI/netI    0.1363
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5783
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.765
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             580
_refine_diff_density_max         0.567
_refine_diff_density_min         -1.013
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4222
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1315
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1189P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1702
_refine_ls_wR_factor_ref         0.2175
_reflns_number_gt                2565
_reflns_number_total             4222
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d2ce00726f2.cif
_cod_data_source_block           7
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7245494
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O6 O 1.0290(7) 0.9641(4) 0.7246(4) 0.0555(15) Uani 1 1 d . . .
O8 O 0.3379(8) 0.0452(5) 0.8893(4) 0.0639(17) Uani 1 1 d . . .
O4 O 0.6426(6) 0.7410(4) 0.6716(3) 0.0405(12) Uani 1 1 d . . .
C21 C 0.6504(8) 0.8462(6) 0.6811(5) 0.0343(17) Uani 1 1 d . . .
O7 O 1.0353(8) 1.1341(4) 0.6980(4) 0.0608(16) Uani 1 1 d . . .
C23 C 0.9641(10) 1.0304(6) 0.6731(5) 0.0405(19) Uani 1 1 d . . .
C20 C 0.6466(9) 0.8796(5) 0.5836(5) 0.0305(15) Uani 1 1 d . . .
C22 C 0.7915(9) 0.9660(5) 0.5788(5) 0.0318(16) Uani 1 1 d . . .
C24 C 0.7749(10) 0.9950(6) 0.4877(5) 0.0372(17) Uani 1 1 d . . .
H24A H 0.8711 1.0530 0.4856 0.045 Uiso 1 1 calc R . .
C25 C 0.6160(11) 0.9383(6) 0.3996(5) 0.0414(18) Uani 1 1 d . . .
H25A H 0.6075 0.9560 0.3377 0.050 Uiso 1 1 calc R . .
C26 C 0.4721(10) 0.8563(6) 0.4044(5) 0.0410(18) Uani 1 1 d . . .
H26A H 0.3637 0.8191 0.3464 0.049 Uiso 1 1 calc R . .
C19 C 0.4893(9) 0.8291(5) 0.4966(5) 0.0337(16) Uani 1 1 d . . .
O1 O -0.3291(6) 0.3534(4) 0.2399(3) 0.0412(12) Uani 1 1 d . . .
O2 O -0.3284(5) 0.4876(4) 0.3732(3) 0.0344(11) Uani 1 1 d . . .
C15 C -0.2407(9) 0.4394(5) 0.3226(4) 0.0287(15) Uani 1 1 d . . .
C14 C -0.0356(8) 0.4888(5) 0.3561(4) 0.0268(14) Uani 1 1 d . . .
C16 C 0.0551(9) 0.6036(5) 0.4213(4) 0.0326(16) Uani 1 1 d . . .
H16A H -0.0098 0.6483 0.4489 0.039 Uiso 1 1 calc R . .
Co1 Co 0.40710(12) 0.38458(7) 0.26480(6) 0.0286(3) Uani 1 1 d . . .
O5 O 0.6611(7) 0.9206(4) 0.7593(3) 0.0476(14) Uani 1 1 d . . .
O3 O 0.3310(6) 0.7616(4) 0.5096(3) 0.0390(12) Uani 1 1 d . . .
N1 N 0.4321(7) 0.5068(4) 0.1774(4) 0.0324(13) Uani 1 1 d . . .
N2 N 0.1856(7) 0.2943(4) 0.1175(4) 0.0315(13) Uani 1 1 d . . .
N3 N 0.2527(7) 0.4709(4) 0.3383(4) 0.0296(13) Uani 1 1 d . . .
C18 C 0.3380(9) 0.5825(5) 0.4019(5) 0.0324(16) Uani 1 1 d . . .
H18A H 0.4651 0.6151 0.4178 0.039 Uiso 1 1 calc R . .
C5 C 0.3006(9) 0.4681(6) 0.0789(5) 0.0328(16) Uani 1 1 d . . .
C9 C 0.1699(8) 0.3524(5) 0.0461(5) 0.0286(15) Uani 1 1 d . . .
C17 C 0.2444(8) 0.6489(5) 0.4436(4) 0.0293(16) Uani 1 1 d . . .
C13 C 0.0681(9) 0.4272(5) 0.3172(5) 0.0323(16) Uani 1 1 d . . .
H13A H 0.0071 0.3508 0.2737 0.039 Uiso 1 1 calc R . .
C4 C 0.2872(9) 0.5348(6) 0.0098(5) 0.0392(17) Uani 1 1 d . . .
C7 C 0.0275(11) 0.3770(7) -0.1225(6) 0.051(2) Uani 1 1 d . . .
H7A H -0.0626 0.3475 -0.1891 0.062 Uiso 1 1 calc R . .
C12 C 0.0671(10) 0.1880(6) 0.0895(5) 0.0418(18) Uani 1 1 d . . .
H12A H 0.0773 0.1465 0.1371 0.050 Uiso 1 1 calc R . .
C8 C 0.0346(9) 0.3062(6) -0.0545(5) 0.0378(17) Uani 1 1 d . . .
C1 C 0.5458(10) 0.6141(6) 0.2068(5) 0.0447(19) Uani 1 1 d . . .
H1A H 0.6335 0.6432 0.2742 0.054 Uiso 1 1 calc R . .
C6 C 0.1505(11) 0.4869(7) -0.0915(5) 0.048(2) Uani 1 1 d . . .
H6A H 0.1440 0.5304 -0.1375 0.057 Uiso 1 1 calc R . .
C10 C -0.0871(11) 0.1936(6) -0.0805(5) 0.049(2) Uani 1 1 d . . .
H10A H -0.1775 0.1585 -0.1468 0.059 Uiso 1 1 calc R . .
C11 C -0.0730(11) 0.1363(6) -0.0092(5) 0.050(2) Uani 1 1 d . . .
H11A H -0.1562 0.0625 -0.0256 0.060 Uiso 1 1 calc R . .
C3 C 0.4173(10) 0.6475(7) 0.0460(6) 0.048(2) Uani 1 1 d . . .
H3A H 0.4161 0.6941 0.0027 0.058 Uiso 1 1 calc R . .
C2 C 0.5448(11) 0.6875(6) 0.1448(6) 0.053(2) Uani 1 1 d . . .
H2A H 0.6295 0.7623 0.1705 0.063 Uiso 1 1 calc R . .
O9 O 0.5006(8) 0.1308(4) 0.1069(4) 0.0569(15) 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 0.0033 0.0016 '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'
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'
H H 0.0000 0.0000 '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
C21 O4 Co1 143.7(4) . 2_666 ?
O5 C21 O4 127.3(6) . . ?
O5 C21 C20 118.6(6) . . ?
O4 C21 C20 114.2(5) . . ?
O7 C23 O6 123.7(7) . . ?
O7 C23 C22 121.9(7) . . ?
O6 C23 C22 114.4(6) . . ?
C19 C20 C22 117.4(6) . . ?
C19 C20 C21 118.9(5) . . ?
C22 C20 C21 123.6(5) . . ?
C24 C22 C20 120.3(6) . . ?
C24 C22 C23 119.1(6) . . ?
C20 C22 C23 120.6(6) . . ?
C22 C24 C25 120.6(6) . . ?
C22 C24 H24A 119.7 . . ?
C25 C24 H24A 119.7 . . ?
C26 C25 C24 119.5(6) . . ?
C26 C25 H25A 120.3 . . ?
C24 C25 H25A 120.3 . . ?
C25 C26 C19 119.4(6) . . ?
C25 C26 H26A 120.3 . . ?
C19 C26 H26A 120.3 . . ?
C20 C19 C26 122.8(6) . . ?
C20 C19 O3 116.5(6) . . ?
C26 C19 O3 119.9(6) . . ?
C15 O1 Co1 85.4(4) . 1_455 ?
C15 O2 Co1 94.7(3) . 1_455 ?
O1 C15 O2 120.1(6) . . ?
O1 C15 C14 119.9(6) . . ?
O2 C15 C14 119.8(5) . . ?
C13 C14 C16 118.2(6) . . ?
C13 C14 C15 121.4(5) . . ?
C16 C14 C15 120.1(6) . . ?
C17 C16 C14 118.1(6) . . ?
C17 C16 H16A 121.0 . . ?
C14 C16 H16A 121.0 . . ?
O4 Co1 O2 99.1(2) 2_666 1_655 ?
O4 Co1 N3 91.0(2) 2_666 . ?
O2 Co1 N3 96.7(2) 1_655 . ?
O4 Co1 N2 95.9(2) 2_666 . ?
O2 Co1 N2 159.86(18) 1_655 . ?
N3 Co1 N2 96.4(2) . . ?
O4 Co1 N1 172.63(18) 2_666 . ?
O2 Co1 N1 88.0(2) 1_655 . ?
N3 Co1 N1 90.0(2) . . ?
N2 Co1 N1 76.7(2) . . ?
O4 Co1 O1 94.85(19) 2_666 1_655 ?
O2 Co1 O1 59.66(18) 1_655 1_655 ?
N3 Co1 O1 156.24(16) . 1_655 ?
N2 Co1 O1 105.85(19) . 1_655 ?
N1 Co1 O1 87.07(19) . 1_655 ?
C17 O3 C19 118.0(5) . . ?
C1 N1 C5 115.9(6) . . ?
C1 N1 Co1 129.9(5) . . ?
C5 N1 Co1 114.0(4) . . ?
C12 N2 C9 117.8(5) . . ?
C12 N2 Co1 126.5(5) . . ?
C9 N2 Co1 115.6(4) . . ?
C13 N3 C18 116.7(6) . . ?
C13 N3 Co1 124.3(4) . . ?
C18 N3 Co1 118.6(4) . . ?
N3 C18 C17 122.6(6) . . ?
N3 C18 H18A 118.7 . . ?
C17 C18 H18A 118.7 . . ?
N1 C5 C4 123.6(6) . . ?
N1 C5 C9 117.0(6) . . ?
C4 C5 C9 119.4(6) . . ?
N2 C9 C8 123.4(5) . . ?
N2 C9 C5 116.6(5) . . ?
C8 C9 C5 120.1(6) . . ?
C18 C17 O3 122.8(5) . . ?
C18 C17 C16 120.4(6) . . ?
O3 C17 C16 116.9(6) . . ?
N3 C13 C14 124.1(6) . . ?
N3 C13 H13A 118.0 . . ?
C14 C13 H13A 118.0 . . ?
C5 C4 C3 117.0(6) . . ?
C5 C4 C6 119.9(6) . . ?
C3 C4 C6 123.1(7) . . ?
C6 C7 C8 121.5(7) . . ?
C6 C7 H7A 119.3 . . ?
C8 C7 H7A 119.3 . . ?
N2 C12 C11 122.2(7) . . ?
N2 C12 H12A 118.9 . . ?
C11 C12 H12A 118.9 . . ?
C10 C8 C9 116.8(6) . . ?
C10 C8 C7 124.6(6) . . ?
C9 C8 C7 118.6(6) . . ?
N1 C1 C2 125.2(7) . . ?
N1 C1 H1A 117.4 . . ?
C2 C1 H1A 117.4 . . ?
C7 C6 C4 120.6(7) . . ?
C7 C6 H6A 119.7 . . ?
C4 C6 H6A 119.7 . . ?
C11 C10 C8 119.9(6) . . ?
C11 C10 H10A 120.0 . . ?
C8 C10 H10A 120.0 . . ?
C10 C11 C12 119.9(6) . . ?
C10 C11 H11A 120.1 . . ?
C12 C11 H11A 120.1 . . ?
C2 C3 C4 119.6(7) . . ?
C2 C3 H3A 120.2 . . ?
C4 C3 H3A 120.2 . . ?
C3 C2 C1 118.7(6) . . ?
C3 C2 H2A 120.7 . . ?
C1 C2 H2A 120.7 . . ?
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
O6 C23 1.317(9) . ?
O4 C21 1.271(8) . ?
O4 Co1 1.984(5) 2_666 ?
C21 O5 1.229(7) . ?
C21 C20 1.511(9) . ?
O7 C23 1.204(8) . ?
C23 C22 1.500(9) . ?
C20 C19 1.367(9) . ?
C20 C22 1.403(8) . ?
C22 C24 1.384(9) . ?
C24 C25 1.388(9) . ?
C24 H24A 0.9300 . ?
C25 C26 1.367(9) . ?
C25 H25A 0.9300 . ?
C26 C19 1.387(9) . ?
C26 H26A 0.9300 . ?
C19 O3 1.416(7) . ?
O1 C15 1.269(7) . ?
O1 Co1 2.307(5) 1_455 ?
O2 C15 1.270(7) . ?
O2 Co1 2.101(4) 1_455 ?
C15 C14 1.483(8) . ?
C14 C13 1.379(9) . ?
C14 C16 1.397(8) . ?
C16 C17 1.383(9) . ?
C16 H16A 0.9300 . ?
Co1 O4 1.984(5) 2_666 ?
Co1 O2 2.101(4) 1_655 ?
Co1 N3 2.120(5) . ?
Co1 N2 2.145(5) . ?
Co1 N1 2.167(6) . ?
Co1 O1 2.306(5) 1_655 ?
O3 C17 1.378(7) . ?
N1 C1 1.320(8) . ?
N1 C5 1.373(8) . ?
N2 C12 1.327(8) . ?
N2 C9 1.357(8) . ?
N3 C13 1.351(8) . ?
N3 C18 1.357(8) . ?
C18 C17 1.368(9) . ?
C18 H18A 0.9300 . ?
C5 C4 1.411(10) . ?
C5 C9 1.446(8) . ?
C9 C8 1.402(9) . ?
C13 H13A 0.9300 . ?
C4 C3 1.412(9) . ?
C4 C6 1.413(10) . ?
C7 C6 1.370(10) . ?
C7 C8 1.438(10) . ?
C7 H7A 0.9300 . ?
C12 C11 1.401(9) . ?
C12 H12A 0.9300 . ?
C8 C10 1.401(9) . ?
C1 C2 1.398(11) . ?
C1 H1A 0.9300 . ?
C6 H6A 0.9300 . ?
C10 C11 1.350(11) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C3 C2 1.362(10) . ?
C3 H3A 0.9300 . ?
C2 H2A 0.9300 . ?
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 O4 C21 O5 16.7(12) 2_666 . . . ?
Co1 O4 C21 C20 -163.6(5) 2_666 . . . ?
O5 C21 C20 C19 -114.3(7) . . . . ?
O4 C21 C20 C19 65.9(8) . . . . ?
O5 C21 C20 C22 61.2(9) . . . . ?
O4 C21 C20 C22 -118.5(7) . . . . ?
C19 C20 C22 C24 -1.9(10) . . . . ?
C21 C20 C22 C24 -177.5(6) . . . . ?
C19 C20 C22 C23 176.5(6) . . . . ?
C21 C20 C22 C23 0.9(10) . . . . ?
O7 C23 C22 C24 41.5(10) . . . . ?
O6 C23 C22 C24 -138.4(7) . . . . ?
O7 C23 C22 C20 -136.9(7) . . . . ?
O6 C23 C22 C20 43.3(9) . . . . ?
C20 C22 C24 C25 -0.8(10) . . . . ?
C23 C22 C24 C25 -179.1(6) . . . . ?
C22 C24 C25 C26 2.5(11) . . . . ?
C24 C25 C26 C19 -1.6(11) . . . . ?
C22 C20 C19 C26 2.8(10) . . . . ?
C21 C20 C19 C26 178.6(7) . . . . ?
C22 C20 C19 O3 -166.6(6) . . . . ?
C21 C20 C19 O3 9.2(9) . . . . ?
C25 C26 C19 C20 -1.1(11) . . . . ?
C25 C26 C19 O3 168.0(6) . . . . ?
Co1 O1 C15 O2 3.7(6) 1_455 . . . ?
Co1 O1 C15 C14 -172.1(5) 1_455 . . . ?
Co1 O2 C15 O1 -4.0(6) 1_455 . . . ?
Co1 O2 C15 C14 171.7(5) 1_455 . . . ?
O1 C15 C14 C13 -17.4(9) . . . . ?
O2 C15 C14 C13 166.9(6) . . . . ?
O1 C15 C14 C16 157.0(6) . . . . ?
O2 C15 C14 C16 -18.8(9) . . . . ?
C13 C14 C16 C17 -0.3(9) . . . . ?
C15 C14 C16 C17 -174.9(6) . . . . ?
C20 C19 O3 C17 -126.4(6) . . . . ?
C26 C19 O3 C17 63.8(9) . . . . ?
O4 Co1 N1 C1 177.8(14) 2_666 . . . ?
O2 Co1 N1 C1 -17.2(6) 1_655 . . . ?
N3 Co1 N1 C1 79.5(6) . . . . ?
N2 Co1 N1 C1 176.1(6) . . . . ?
O1 Co1 N1 C1 -76.9(6) 1_655 . . . ?
O4 Co1 N1 C5 2.5(18) 2_666 . . . ?
O2 Co1 N1 C5 167.6(4) 1_655 . . . ?
N3 Co1 N1 C5 -95.7(5) . . . . ?
N2 Co1 N1 C5 0.8(4) . . . . ?
O1 Co1 N1 C5 107.9(4) 1_655 . . . ?
O4 Co1 N2 C12 -0.8(6) 2_666 . . . ?
O2 Co1 N2 C12 137.3(6) 1_655 . . . ?
N3 Co1 N2 C12 -92.5(6) . . . . ?
N1 Co1 N2 C12 179.0(6) . . . . ?
O1 Co1 N2 C12 96.0(6) 1_655 . . . ?
O4 Co1 N2 C9 -179.5(4) 2_666 . . . ?
O2 Co1 N2 C9 -41.4(8) 1_655 . . . ?
N3 Co1 N2 C9 88.8(5) . . . . ?
N1 Co1 N2 C9 0.3(4) . . . . ?
O1 Co1 N2 C9 -82.7(5) 1_655 . . . ?
O4 Co1 N3 C13 -65.0(5) 2_666 . . . ?
O2 Co1 N3 C13 -164.3(5) 1_655 . . . ?
N2 Co1 N3 C13 31.1(5) . . . . ?
N1 Co1 N3 C13 107.7(5) . . . . ?
O1 Co1 N3 C13 -169.5(5) 1_655 . . . ?
O4 Co1 N3 C18 122.8(5) 2_666 . . . ?
O2 Co1 N3 C18 23.5(5) 1_655 . . . ?
N2 Co1 N3 C18 -141.1(5) . . . . ?
N1 Co1 N3 C18 -64.5(5) . . . . ?
O1 Co1 N3 C18 18.3(8) 1_655 . . . ?
C13 N3 C18 C17 0.1(9) . . . . ?
Co1 N3 C18 C17 172.9(5) . . . . ?
C1 N1 C5 C4 2.0(9) . . . . ?
Co1 N1 C5 C4 177.9(5) . . . . ?
C1 N1 C5 C9 -177.8(6) . . . . ?
Co1 N1 C5 C9 -1.9(7) . . . . ?
C12 N2 C9 C8 0.5(9) . . . . ?
Co1 N2 C9 C8 179.3(5) . . . . ?
C12 N2 C9 C5 179.8(6) . . . . ?
Co1 N2 C9 C5 -1.4(7) . . . . ?
N1 C5 C9 N2 2.2(8) . . . . ?
C4 C5 C9 N2 -177.6(6) . . . . ?
N1 C5 C9 C8 -178.5(6) . . . . ?
C4 C5 C9 C8 1.7(9) . . . . ?
N3 C18 C17 O3 178.9(6) . . . . ?
N3 C18 C17 C16 -0.3(10) . . . . ?
C19 O3 C17 C18 30.5(9) . . . . ?
C19 O3 C17 C16 -150.3(6) . . . . ?
C14 C16 C17 C18 0.4(10) . . . . ?
C14 C16 C17 O3 -178.9(6) . . . . ?
C18 N3 C13 C14 0.1(9) . . . . ?
Co1 N3 C13 C14 -172.3(5) . . . . ?
C16 C14 C13 N3 0.1(10) . . . . ?
C15 C14 C13 N3 174.5(6) . . . . ?
N1 C5 C4 C3 -0.3(10) . . . . ?
C9 C5 C4 C3 179.5(6) . . . . ?
N1 C5 C4 C6 178.3(6) . . . . ?
C9 C5 C4 C6 -1.9(10) . . . . ?
C9 N2 C12 C11 -1.1(10) . . . . ?
Co1 N2 C12 C11 -179.7(5) . . . . ?
N2 C9 C8 C10 -0.7(10) . . . . ?
C5 C9 C8 C10 -179.9(6) . . . . ?
N2 C9 C8 C7 178.2(6) . . . . ?
C5 C9 C8 C7 -1.1(10) . . . . ?
C6 C7 C8 C10 179.5(7) . . . . ?
C6 C7 C8 C9 0.7(11) . . . . ?
C5 N1 C1 C2 -2.0(11) . . . . ?
Co1 N1 C1 C2 -177.2(6) . . . . ?
C8 C7 C6 C4 -1.0(12) . . . . ?
C5 C4 C6 C7 1.6(11) . . . . ?
C3 C4 C6 C7 -180.0(7) . . . . ?
C9 C8 C10 C11 1.4(11) . . . . ?
C7 C8 C10 C11 -177.4(8) . . . . ?
C8 C10 C11 C12 -2.0(12) . . . . ?
N2 C12 C11 C10 1.9(12) . . . . ?
C5 C4 C3 C2 -1.6(11) . . . . ?
C6 C4 C3 C2 179.9(7) . . . . ?
C4 C3 C2 C1 1.6(12) . . . . ?
N1 C1 C2 C3 0.3(12) . . . . ?
