#------------------------------------------------------------------------------
#$Date: 2021-10-06 19:06:23 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269767 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/08/7060891.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_7060891
loop_
_publ_author_name
'Adeleke, Adesola A.'
'Islam, Md. Shahidul'
'Olofinsan, Kolawole'
'Salau, Veronica F.'
'Mocktar, Chunderika'
'Omondi, Bernard'
_publ_section_title
;
 Evaluation of substituent bioactivity and anion impact of linear and
 T-shaped silver(i) pyridinyl complexes as potential antiproliferative,
 antioxidant, antimicrobial agents and DNA- and BSA-binders
;
_journal_issue                   38
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17827
_journal_page_last               17846
_journal_paper_doi               10.1039/D1NJ03231C
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C52 H50 Ag2 N8, 2(Cl O4)'
_chemical_formula_sum            'C48 H52 Ag2 Cl2 N12 O8'
_chemical_formula_weight         1211.65
_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
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-10-09
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2021-02-09 deposited with the CCDC.	2021-08-06 downloaded from the CCDC.
;
_cell_angle_alpha                79.670(3)
_cell_angle_beta                 84.395(3)
_cell_angle_gamma                86.477(4)
_cell_formula_units_Z            1
_cell_length_a                   9.9431(6)
_cell_length_b                   11.0069(7)
_cell_length_c                   11.3978(7)
_cell_measurement_reflns_used    8996
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.85
_cell_measurement_theta_min      2.73
_cell_volume                     1220.09(13)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            24056
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.982
_diffrn_reflns_theta_min         1.823
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.980
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6822
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1331 before and 0.0408 after correction.
The Ratio of minimum to maximum transmission is 0.9147.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_description       Plate
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.882
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         6338
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0332P)²+1.7142P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0820
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5517
_reflns_number_total             6338
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1nj03231c2.cif
_cod_data_source_block           Complex_8
_cod_depositor_comments
'Adding full bibliography for 7060889--7060892.cif.'
_cod_database_code               7060891
_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'
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
Ag1 Ag 0.61368(2) 0.88547(2) -0.02226(2) 0.02385(6) Uani 1 1 d . . . . .
Cl1 Cl 0.26811(6) 0.93211(6) -0.19409(5) 0.02258(12) Uani 1 1 d . . . . .
O1 O 0.3913(2) 0.8826(3) -0.1461(2) 0.0635(9) Uani 1 1 d . . . . .
O2 O 0.2087(2) 1.0241(2) -0.1280(2) 0.0469(6) Uani 1 1 d . . . . .
O3 O 0.2984(3) 0.9889(2) -0.31530(18) 0.0476(6) Uani 1 1 d . . . . .
O4 O 0.1755(2) 0.8383(2) -0.1889(3) 0.0585(7) Uani 1 1 d . . . . .
N1 N 0.7222(2) 0.97417(18) -0.18301(18) 0.0200(4) Uani 1 1 d . . . . .
N2 N 1.0650(2) 1.18004(18) -0.49155(17) 0.0186(4) Uani 1 1 d . . . . .
C3 C 1.4341(3) 1.4114(3) -0.8702(2) 0.0286(5) Uani 1 1 d . . . . .
H3A H 1.388069 1.446665 -0.934268 0.034 Uiso 1 1 d R . . . .
H3B H 1.475929 1.479025 -0.834488 0.034 Uiso 1 1 d R . . . .
H3C H 1.505239 1.351405 -0.883038 0.034 Uiso 1 1 d R . . . .
C4 C 0.6645(2) 1.0053(2) -0.2868(2) 0.0210(5) Uani 1 1 d . . . . .
H4 H 0.579152 0.989925 -0.289348 0.025 Uiso 1 1 d R . . . .
N5 N 0.5063(2) 0.78088(18) 0.13170(18) 0.0208(4) Uani 1 1 d . . . . .
N6 N 0.3073(2) 0.58646(18) 0.54251(18) 0.0204(4) Uani 1 1 d . . . . .
H6 H 0.378869 0.628888 0.551743 0.024 Uiso 1 1 d R . . . .
C2 C 0.3799(2) 0.7479(2) 0.1248(2) 0.0222(5) Uani 1 1 d . . . . .
H2 H 0.342847 0.767408 0.051601 0.027 Uiso 1 1 calc R . . . .
C0AA C 0.3030(2) 0.6864(2) 0.2216(2) 0.0211(5) Uani 1 1 d . . . . .
H0AA H 0.215964 0.664681 0.213331 0.025 Uiso 1 1 calc R . . . .
C1AA C 0.3567(2) 0.6568(2) 0.3321(2) 0.0197(4) Uani 1 1 d . . . . .
C5 C 0.2726(2) 0.5952(2) 0.4367(2) 0.0211(5) Uani 1 1 d . . . . .
H5 H 0.192135 0.561871 0.425146 0.025 Uiso 1 1 calc R . . . .
C7 C 0.2280(2) 0.5193(2) 0.6398(2) 0.0191(4) Uani 1 1 d . . . . .
C8 C 0.2356(3) 0.5473(2) 0.7538(2) 0.0236(5) Uani 1 1 d . . . . .
H8 H 0.285928 0.612826 0.763248 0.028 Uiso 1 1 calc R . . . .
C9 C 0.1681(3) 0.4773(2) 0.8524(2) 0.0255(5) Uani 1 1 d . . . . .
H9 H 0.172984 0.497649 0.927543 0.031 Uiso 1 1 calc R . . . .
C10 C 0.0932(3) 0.3773(2) 0.8428(2) 0.0235(5) Uani 1 1 d . . . . .
C11 C 0.0269(3) 0.2960(3) 0.9505(2) 0.0324(6) Uani 1 1 d . . . . .
H11A H 0.093653 0.263033 1.004501 0.049 Uiso 1 1 calc GR . . . .
H11B H -0.014223 0.229356 0.925432 0.049 Uiso 1 1 calc GR . . . .
H11C H -0.041188 0.343754 0.990296 0.049 Uiso 1 1 calc GR . . . .
C12 C 0.0855(3) 0.3516(2) 0.7286(2) 0.0242(5) Uani 1 1 d . . . . .
H12 H 0.035537 0.285792 0.719236 0.029 Uiso 1 1 calc R . . . .
C13 C 0.1505(3) 0.4217(2) 0.6285(2) 0.0232(5) Uani 1 1 d . . . . .
H13 H 0.142313 0.403445 0.552986 0.028 Uiso 1 1 calc R . . . .
C14 C 0.4885(2) 0.6885(2) 0.3392(2) 0.0218(5) Uani 1 1 d . . . . .
H14 H 0.528167 0.668651 0.411218 0.026 Uiso 1 1 calc R . . . .
C15 C 0.5597(2) 0.7498(2) 0.2381(2) 0.0229(5) Uani 1 1 d . . . . .
H15 H 0.647914 0.770516 0.243485 0.027 Uiso 1 1 calc R . . . .
C16 C 0.8536(2) 0.9978(2) -0.1835(2) 0.0231(5) Uani 1 1 d . . . . .
H16 H 0.895138 0.976276 -0.112560 0.028 Uiso 1 1 calc R . . . .
C17 C 0.9288(2) 1.0526(2) -0.2848(2) 0.0208(5) Uani 1 1 d . . . . .
H17 H 1.019461 1.067197 -0.281654 0.025 Uiso 1 1 calc R . . . .
C18 C 0.8685(2) 1.0862(2) -0.3924(2) 0.0181(4) Uani 1 1 d . . . . .
C19 C 0.9478(2) 1.1456(2) -0.5011(2) 0.0190(4) Uani 1 1 d . . . . .
H19 H 0.912668 1.157542 -0.575204 0.023 Uiso 1 1 calc R . . . .
C20 C 1.1490(2) 1.2374(2) -0.5902(2) 0.0176(4) Uani 1 1 d . . . . .
C21 C 1.2867(2) 1.2333(2) -0.5744(2) 0.0209(5) Uani 1 1 d . . . . .
H21 H 1.317177 1.192466 -0.502531 0.025 Uiso 1 1 calc R . . . .
C22 C 1.3786(2) 1.2888(2) -0.6639(2) 0.0226(5) Uani 1 1 d . . . . .
H22 H 1.470199 1.283620 -0.652354 0.027 Uiso 1 1 calc R . . . .
C23 C 1.3345(2) 1.3528(2) -0.7718(2) 0.0218(5) Uani 1 1 d . . . . .
C24 C 1.1968(3) 1.3596(2) -0.7852(2) 0.0255(5) Uani 1 1 d . . . . .
H24 H 1.166089 1.403628 -0.855708 0.031 Uiso 1 1 calc R . . . .
C25 C 1.1035(2) 1.3030(2) -0.6969(2) 0.0232(5) Uani 1 1 d . . . . .
H25 H 1.011879 1.308619 -0.708490 0.028 Uiso 1 1 calc R . . . .
C26 C 0.7337(2) 1.0606(2) -0.3926(2) 0.0206(5) Uani 1 1 d . . . . .
H26 H 0.690301 1.080188 -0.462642 0.025 Uiso 1 1 calc R . . . .
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
N1 Ag1 Ag1 99.27(5) . 2_675 ?
N1 Ag1 N5 174.58(7) . . ?
N5 Ag1 Ag1 84.87(5) . 2_675 ?
O1 Cl1 O2 109.50(17) . . ?
O3 Cl1 O1 108.47(14) . . ?
O3 Cl1 O2 108.71(15) . . ?
O4 Cl1 O1 111.15(17) . . ?
O4 Cl1 O2 109.49(14) . . ?
O4 Cl1 O3 109.48(17) . . ?
C4 N1 Ag1 122.14(16) . . ?
C4 N1 C16 117.7(2) . . ?
C16 N1 Ag1 120.18(16) . . ?
C19 N2 C20 123.0(2) . . ?
H3A C3 H3B 110.2 . . ?
H3A C3 H3C 117.6 . . ?
H3B C3 H3C 106.8 . . ?
C23 C3 H3A 108.6 . . ?
C23 C3 H3B 104.5 . . ?
C23 C3 H3C 108.2 . . ?
N1 C4 H4 119.6 . . ?
N1 C4 C26 123.1(2) . . ?
C26 C4 H4 117.3 . . ?
C2 N5 Ag1 119.76(16) . . ?
C2 N5 C15 118.0(2) . . ?
C15 N5 Ag1 122.23(16) . . ?
C5 N6 H6 117.0 . . ?
C5 N6 C7 119.6(2) . . ?
C7 N6 H6 123.2 . . ?
N5 C2 H2 118.6 . . ?
N5 C2 C0AA 122.7(2) . . ?
C0AA C2 H2 118.6 . . ?
C2 C0AA H0AA 120.3 . . ?
C2 C0AA C1AA 119.4(2) . . ?
C1AA C0AA H0AA 120.3 . . ?
C0AA C1AA C5 119.4(2) . . ?
C14 C1AA C0AA 118.1(2) . . ?
C14 C1AA C5 122.5(2) . . ?
N6 C5 C1AA 121.5(2) . . ?
N6 C5 H5 119.3 . . ?
C1AA C5 H5 119.3 . . ?
C8 C7 N6 118.1(2) . . ?
C13 C7 N6 123.1(2) . . ?
C13 C7 C8 118.7(2) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.8(2) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 118.9 . . ?
C8 C9 C10 122.2(2) . . ?
C10 C9 H9 118.9 . . ?
C9 C10 C11 122.4(2) . . ?
C12 C10 C9 117.2(2) . . ?
C12 C10 C11 120.3(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12 119.2 . . ?
C13 C12 C10 121.5(2) . . ?
C13 C12 H12 119.2 . . ?
C7 C13 H13 119.7 . . ?
C12 C13 C7 120.6(2) . . ?
C12 C13 H13 119.7 . . ?
C1AA C14 H14 120.4 . . ?
C15 C14 C1AA 119.2(2) . . ?
C15 C14 H14 120.4 . . ?
N5 C15 C14 122.6(2) . . ?
N5 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
N1 C16 H16 118.7 . . ?
N1 C16 C17 122.6(2) . . ?
C17 C16 H16 118.7 . . ?
C16 C17 H17 120.1 . . ?
C16 C17 C18 119.7(2) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C19 120.2(2) . . ?
C26 C18 C17 117.8(2) . . ?
C26 C18 C19 122.0(2) . . ?
N2 C19 C18 118.6(2) . . ?
N2 C19 H19 120.7 . . ?
C18 C19 H19 120.7 . . ?
C21 C20 N2 115.8(2) . . ?
C21 C20 C25 119.0(2) . . ?
C25 C20 N2 125.0(2) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 C20 121.1(2) . . ?
C22 C21 H21 119.5 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C3 120.6(2) . . ?
C24 C23 C3 121.3(2) . . ?
C24 C23 C22 118.1(2) . . ?
C23 C24 H24 118.9 . . ?
C23 C24 C25 122.3(2) . . ?
C25 C24 H24 118.9 . . ?
C20 C25 H25 120.4 . . ?
C24 C25 C20 119.1(2) . . ?
C24 C25 H25 120.4 . . ?
C4 C26 H26 120.5 . . ?
C18 C26 C4 119.1(2) . . ?
C18 C26 H26 120.5 . . ?
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
Ag1 Ag1 3.3554(4) 2_675 ?
Ag1 N1 2.1392(19) . ?
Ag1 N5 2.146(2) . ?
Cl1 O1 1.427(2) . ?
Cl1 O2 1.433(2) . ?
Cl1 O3 1.422(2) . ?
Cl1 O4 1.414(2) . ?
N1 C4 1.345(3) . ?
N1 C16 1.348(3) . ?
N2 C19 1.268(3) . ?
N2 C20 1.410(3) . ?
C3 H3A 0.9135 . ?
C3 H3B 1.0354 . ?
C3 H3C 0.9569 . ?
C3 C23 1.502(3) . ?
C4 H4 0.8801 . ?
C4 C26 1.386(3) . ?
N5 C2 1.343(3) . ?
N5 C15 1.351(3) . ?
N6 H6 0.8993 . ?
N6 C5 1.273(3) . ?
N6 C7 1.416(3) . ?
C2 H2 0.9300 . ?
C2 C0AA 1.375(3) . ?
C0AA H0AA 0.9300 . ?
C0AA C1AA 1.394(3) . ?
C1AA C5 1.471(3) . ?
C1AA C14 1.390(3) . ?
C5 H5 0.9300 . ?
C7 C8 1.397(3) . ?
C7 C13 1.391(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.392(4) . ?
C10 C11 1.504(3) . ?
C10 C12 1.392(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.385(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.380(3) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.375(3) . ?
C17 H17 0.9300 . ?
C17 C18 1.399(3) . ?
C18 C19 1.471(3) . ?
C18 C26 1.387(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.395(3) . ?
C20 C25 1.399(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.383(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.399(3) . ?
C23 C24 1.388(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.388(3) . ?
C25 H25 0.9300 . ?
C26 H26 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
Ag1 N1 C4 C26 -178.66(17) . . . . ?
Ag1 N1 C16 C17 178.81(18) . . . . ?
Ag1 N5 C2 C0AA -176.63(18) . . . . ?
Ag1 N5 C15 C14 176.34(18) . . . . ?
N1 C4 C26 C18 -0.5(4) . . . . ?
N1 C16 C17 C18 0.2(4) . . . . ?
N2 C20 C21 C22 -178.5(2) . . . . ?
N2 C20 C25 C24 177.2(2) . . . . ?
C3 C23 C24 C25 178.1(2) . . . . ?
C4 N1 C16 C17 0.5(4) . . . . ?
N5 C2 C0AA C1AA 0.3(4) . . . . ?
N6 C7 C8 C9 -174.9(2) . . . . ?
N6 C7 C13 C12 173.6(2) . . . . ?
C2 N5 C15 C14 -1.5(4) . . . . ?
C2 C0AA C1AA C5 177.7(2) . . . . ?
C2 C0AA C1AA C14 -1.5(3) . . . . ?
C0AA C1AA C5 N6 -167.1(2) . . . . ?
C0AA C1AA C14 C15 1.3(3) . . . . ?
C1AA C14 C15 N5 0.2(4) . . . . ?
C5 N6 C7 C8 -156.7(2) . . . . ?
C5 N6 C7 C13 27.8(3) . . . . ?
C5 C1AA C14 C15 -177.9(2) . . . . ?
C7 N6 C5 C1AA -175.8(2) . . . . ?
C7 C8 C9 C10 0.9(4) . . . . ?
C8 C7 C13 C12 -1.9(4) . . . . ?
C8 C9 C10 C11 176.1(2) . . . . ?
C8 C9 C10 C12 -1.6(4) . . . . ?
C9 C10 C12 C13 0.6(4) . . . . ?
C10 C12 C13 C7 1.2(4) . . . . ?
C11 C10 C12 C13 -177.2(2) . . . . ?
C13 C7 C8 C9 0.8(4) . . . . ?
C14 C1AA C5 N6 12.1(4) . . . . ?
C15 N5 C2 C0AA 1.2(4) . . . . ?
C16 N1 C4 C26 -0.4(3) . . . . ?
C16 C17 C18 C19 179.6(2) . . . . ?
C16 C17 C18 C26 -1.0(3) . . . . ?
C17 C18 C19 N2 -9.2(3) . . . . ?
C17 C18 C26 C4 1.1(3) . . . . ?
C19 N2 C20 C21 -159.7(2) . . . . ?
C19 N2 C20 C25 24.4(4) . . . . ?
C19 C18 C26 C4 -179.5(2) . . . . ?
C20 N2 C19 C18 179.8(2) . . . . ?
C20 C21 C22 C23 1.3(4) . . . . ?
C21 C20 C25 C24 1.5(4) . . . . ?
C21 C22 C23 C3 -179.0(2) . . . . ?
C21 C22 C23 C24 0.7(4) . . . . ?
C22 C23 C24 C25 -1.6(4) . . . . ?
C23 C24 C25 C20 0.5(4) . . . . ?
C25 C20 C21 C22 -2.4(4) . . . . ?
C26 C18 C19 N2 171.5(2) . . . . ?
