#------------------------------------------------------------------------------
#$Date: 2025-09-03 18:40:38 +0100 (Wed, 03 Sep 2025) $
#$Revision: 301990 $
#$URL: svn://www.crystallography.net/cod/cif/3/00/05/3000547.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_3000547
loop_
_publ_author_name
'L\'opez-Chamorro, Carmen'
'P\'erez-Romero, Antonio'
'Dom\'inguez-Mart\'in, Alicia'
'Javornik, Uro\<s'
'Palacios, Oscar'
'Plavec, Janez'
'Galindo, Miguel A'
_publ_section_title
;
 Silver Binding Dichotomy for 7-Deazaadenine/Thymine: Preference for
 Watson-Crick Pairing over Homobase Interactions in DNA.
;
_journal_issue                   28
_journal_name_full               'Inorganic chemistry'
_journal_page_first              14455
_journal_page_last               14465
_journal_paper_doi               10.1021/acs.inorgchem.5c01762
_journal_volume                  64
_journal_year                    2025
_chemical_formula_sum            'C18 H24 Ag N9 O3'
_chemical_formula_weight         522.33
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_cell_angle_alpha                90
_cell_angle_beta                 115.057(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5989(8)
_cell_length_b                   9.4363(5)
_cell_length_c                   16.2993(8)
_cell_measurement_reflns_used    9864
_cell_measurement_temperature    105(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.514
_cell_volume                     2173.4(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      105(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21782
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.333
_diffrn_reflns_theta_min         2.514
_exptl_absorpt_coefficient_mu    0.967
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_description       needle
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.292
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.067
_refine_diff_density_max         1.481
_refine_diff_density_min         -1.501
_refine_diff_density_rms         0.164
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.489
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         5363
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.489
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0746
_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/[\s^2^(Fo^2^)+(0.0200P)^2^+13.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1849
_refine_ls_wR_factor_ref         0.1880
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4661
_reflns_number_total             5363
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            2_NO3_x.cif
_cod_data_source_block           NO3_2
_cod_depositor_comments
'Releasing structure 3000547 into public domain as published material.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               3000547
_cod_database_fobs_code          3000547
_shelx_shelxl_version_number     2019/3
_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   0.765
_shelx_estimated_absorpt_t_max   0.938
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ag1 Ag 0.45299(3) 0.35389(5) 0.43869(3) 0.03082(16) Uani 1 1 d . . . . .
N1A N 0.3424(4) 0.5056(6) 0.3709(4) 0.0294(11) Uani 1 1 d . . . . .
C2A C 0.2975(4) 0.5761(7) 0.4142(5) 0.0347(14) Uani 1 1 d . . . . .
H2A H 0.315735 0.550372 0.475719 0.042 Uiso 1 1 calc R U . . .
N3A N 0.2324(4) 0.6747(6) 0.3825(4) 0.0358(12) Uani 1 1 d . . . . .
C4A C 0.2113(5) 0.7072(7) 0.2960(5) 0.0353(14) Uani 1 1 d . . . . .
C5A C 0.2502(4) 0.6458(7) 0.2411(5) 0.0350(14) Uani 1 1 d . . . . .
C6A C 0.3170(4) 0.5374(7) 0.2814(4) 0.0312(13) Uani 1 1 d . . . . .
N6A N 0.3557(4) 0.4641(6) 0.2362(4) 0.0356(12) Uani 1 1 d . . . . .
H61A H 0.396797 0.396551 0.263673 0.043 Uiso 1 1 calc R U . . .
H62A H 0.340205 0.482986 0.178819 0.043 Uiso 1 1 calc R U . . .
C7A C 0.2059(5) 0.7119(8) 0.1534(5) 0.0430(17) Uani 1 1 d . . . . .
H7A H 0.216404 0.690859 0.101465 0.052 Uiso 1 1 calc R U . . .
C8A C 0.1465(5) 0.8096(8) 0.1602(6) 0.0452(18) Uani 1 1 d . . . . .
H8A H 0.108659 0.871388 0.112612 0.054 Uiso 1 1 calc R U . . .
N9A N 0.1478(4) 0.8081(6) 0.2457(4) 0.0396(14) Uani 1 1 d . . . . .
C10A C 0.0953(5) 0.8992(8) 0.2809(7) 0.0480(19) Uani 1 1 d . . . . .
H01A H 0.080593 0.989760 0.247089 0.058 Uiso 1 1 calc R U . . .
H02A H 0.135842 0.920855 0.345273 0.058 Uiso 1 1 calc R U . . .
C11A C 0.0033(5) 0.8323(9) 0.2737(6) 0.050(2) Uani 1 1 d . . . . .
H11A H -0.036674 0.807300 0.209734 0.060 Uiso 1 1 calc R U . . .
H12A H 0.017733 0.744063 0.309868 0.060 Uiso 1 1 calc R U . . .
C12A C -0.0504(6) 0.9330(10) 0.3073(8) 0.066(3) Uani 1 1 d . . . . .
H21A H -0.010853 0.957841 0.370617 0.100 Uiso 1 1 calc R U . . .
H22A H -0.108549 0.887082 0.302947 0.100 Uiso 1 1 calc R U . . .
H23A H -0.066534 1.019088 0.270250 0.100 Uiso 1 1 calc R U . . .
N1B N 0.5568(4) 0.1877(6) 0.4875(4) 0.0302(11) Uani 1 1 d . . . . .
C2B C 0.5930(4) 0.1438(7) 0.4295(4) 0.0309(12) Uani 1 1 d . . . . .
H2B H 0.573678 0.194975 0.374354 0.037 Uiso 1 1 calc R U . . .
N3B N 0.6524(4) 0.0373(6) 0.4412(4) 0.0325(11) Uani 1 1 d . . . . .
C4B C 0.6767(4) -0.0291(7) 0.5214(4) 0.0317(13) Uani 1 1 d . . . . .
C5B C 0.6485(4) 0.0073(7) 0.5890(4) 0.0288(12) Uani 1 1 d . . . . .
C6B C 0.5835(4) 0.1206(7) 0.5688(4) 0.0281(12) Uani 1 1 d . . . . .
N6B N 0.5475(4) 0.1618(6) 0.6257(4) 0.0343(12) Uani 1 1 d . . . . .
H61B H 0.506625 0.232100 0.610868 0.041 Uiso 1 1 calc R U . . .
H62B H 0.564518 0.118789 0.678177 0.041 Uiso 1 1 calc R U . . .
C7B C 0.6922(5) -0.0904(7) 0.6614(5) 0.0351(14) Uani 1 1 d . . . . .
H7B H 0.686638 -0.091163 0.717216 0.042 Uiso 1 1 calc R U . . .
C8B C 0.7429(5) -0.1813(7) 0.6362(5) 0.0375(15) Uani 1 1 d . . . . .
H8B H 0.779320 -0.257676 0.671978 0.045 Uiso 1 1 calc R U . . .
N9B N 0.7340(4) -0.1469(6) 0.5492(4) 0.0343(12) Uani 1 1 d . . . . .
C10B C 0.7688(5) -0.2335(8) 0.4950(6) 0.0422(16) Uani 1 1 d . . . . .
H01B H 0.722029 -0.229438 0.430910 0.051 Uiso 1 1 calc R U . . .
H02B H 0.773006 -0.333222 0.515160 0.051 Uiso 1 1 calc R U . . .
C11B C 0.8632(6) -0.1894(9) 0.5005(5) 0.0457(17) Uani 1 1 d . . . . .
H11B H 0.908347 -0.177319 0.564737 0.055 Uiso 1 1 calc R U . . .
H12B H 0.857226 -0.097343 0.469394 0.055 Uiso 1 1 calc R U . . .
C12B C 0.9009(7) -0.3015(11) 0.4561(7) 0.065(3) Uani 1 1 d . . . . .
H21B H 0.907130 -0.392335 0.487285 0.097 Uiso 1 1 calc R U . . .
H22B H 0.962838 -0.271905 0.460403 0.097 Uiso 1 1 calc R U . . .
H23B H 0.856668 -0.311951 0.392264 0.097 Uiso 1 1 calc R U . . .
N1N N 0.4258(4) 0.4386(6) 0.6698(4) 0.0308(11) Uani 1 1 d . . . . .
O1 O 0.4364(4) 0.4229(6) 0.5970(3) 0.0423(12) Uani 1 1 d . . . . .
O2 O 0.4290(4) 0.3353(6) 0.7172(4) 0.0431(12) Uani 1 1 d . . . . .
O3 O 0.4143(5) 0.5607(6) 0.6915(4) 0.0518(14) Uani 1 1 d . . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0290(2) 0.0298(2) 0.0310(3) 0.00422(19) 0.01017(18) 0.00163(19)
N1A 0.026(2) 0.027(2) 0.034(3) 0.003(2) 0.012(2) -0.002(2)
C2A 0.026(3) 0.029(3) 0.043(4) 0.002(3) 0.009(3) -0.005(2)
N3A 0.027(3) 0.033(3) 0.049(3) -0.008(3) 0.017(2) -0.003(2)
C4A 0.028(3) 0.028(3) 0.043(4) -0.002(3) 0.008(3) -0.006(2)
C5A 0.026(3) 0.029(3) 0.041(3) 0.000(3) 0.006(3) -0.004(3)
C6A 0.023(3) 0.030(3) 0.036(3) 0.004(3) 0.009(2) -0.003(2)
N6A 0.037(3) 0.034(3) 0.034(3) 0.009(2) 0.013(2) 0.007(2)
C7A 0.038(4) 0.040(4) 0.042(4) 0.010(3) 0.009(3) 0.004(3)
C8A 0.037(4) 0.041(4) 0.047(4) 0.010(3) 0.008(3) 0.003(3)
N9A 0.029(3) 0.030(3) 0.053(4) -0.002(3) 0.010(3) 0.003(2)
C10A 0.032(3) 0.031(3) 0.077(6) -0.005(4) 0.019(4) 0.005(3)
C11A 0.035(4) 0.048(4) 0.062(5) -0.020(4) 0.017(4) -0.002(3)
C12A 0.044(4) 0.050(5) 0.108(8) -0.012(5) 0.034(5) 0.004(4)
N1B 0.024(2) 0.031(3) 0.032(3) 0.000(2) 0.008(2) 0.001(2)
C2B 0.031(3) 0.032(3) 0.024(3) 0.001(3) 0.007(2) -0.001(3)
N3B 0.033(3) 0.032(3) 0.029(3) -0.002(2) 0.010(2) 0.000(2)
C4B 0.025(3) 0.028(3) 0.036(3) 0.001(3) 0.007(2) -0.004(2)
C5B 0.026(3) 0.028(3) 0.032(3) 0.003(2) 0.012(2) -0.008(2)
C6B 0.024(3) 0.030(3) 0.029(3) 0.000(2) 0.010(2) -0.005(2)
N6B 0.036(3) 0.034(3) 0.033(3) 0.003(2) 0.015(2) 0.001(2)
C7B 0.031(3) 0.033(3) 0.039(3) 0.007(3) 0.013(3) -0.004(3)
C8B 0.028(3) 0.029(3) 0.049(4) 0.005(3) 0.011(3) 0.000(2)
N9B 0.031(3) 0.027(3) 0.041(3) -0.001(2) 0.011(2) 0.004(2)
C10B 0.039(4) 0.030(3) 0.057(5) -0.001(3) 0.019(3) 0.001(3)
C11B 0.047(4) 0.050(4) 0.038(4) 0.000(3) 0.017(3) 0.002(3)
C12B 0.064(6) 0.067(6) 0.071(6) -0.011(5) 0.036(5) 0.009(5)
N1N 0.036(3) 0.030(3) 0.028(3) 0.000(2) 0.014(2) 0.000(2)
O1 0.049(3) 0.052(3) 0.033(2) 0.002(2) 0.024(2) 0.010(2)
O2 0.054(3) 0.037(3) 0.046(3) 0.006(2) 0.028(2) 0.001(2)
O3 0.077(4) 0.034(3) 0.049(3) -0.004(2) 0.031(3) 0.011(3)
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'
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'
Ag Ag -0.8971 1.1015 '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
N1B Ag1 N1A 171.7(2) . .
N1B Ag1 Ag1 107.95(14) . 3_666
N1A Ag1 Ag1 79.17(14) . 3_666
C2A N1A C6A 117.7(6) . .
C2A N1A Ag1 122.4(4) . .
C6A N1A Ag1 119.9(4) . .
N3A C2A N1A 128.7(7) . .
N3A C2A H2A 115.6 . .
N1A C2A H2A 115.6 . .
C2A N3A C4A 112.4(6) . .
N3A C4A N9A 125.6(7) . .
N3A C4A C5A 126.7(6) . .
N9A C4A C5A 107.8(6) . .
C4A C5A C6A 116.0(6) . .
C4A C5A C7A 107.3(6) . .
C6A C5A C7A 136.7(7) . .
N6A C6A N1A 118.8(6) . .
N6A C6A C5A 122.7(6) . .
N1A C6A C5A 118.5(6) . .
C6A N6A H61A 120.0 . .
C6A N6A H62A 120.0 . .
H61A N6A H62A 120.0 . .
C8A C7A C5A 105.9(7) . .
C8A C7A H7A 127.0 . .
C5A C7A H7A 127.0 . .
C7A C8A N9A 111.0(7) . .
C7A C8A H8A 124.5 . .
N9A C8A H8A 124.5 . .
C4A N9A C8A 107.9(6) . .
C4A N9A C10A 123.9(7) . .
C8A N9A C10A 128.1(7) . .
N9A C10A C11A 113.1(6) . .
N9A C10A H01A 109.0 . .
C11A C10A H01A 109.0 . .
N9A C10A H02A 109.0 . .
C11A C10A H02A 109.0 . .
H01A C10A H02A 107.8 . .
C12A C11A C10A 111.1(7) . .
C12A C11A H11A 109.4 . .
C10A C11A H11A 109.4 . .
C12A C11A H12A 109.4 . .
C10A C11A H12A 109.4 . .
H11A C11A H12A 108.0 . .
C11A C12A H21A 109.5 . .
C11A C12A H22A 109.5 . .
H21A C12A H22A 109.5 . .
C11A C12A H23A 109.5 . .
H21A C12A H23A 109.5 . .
H22A C12A H23A 109.5 . .
C2B N1B C6B 119.3(5) . .
C2B N1B Ag1 115.9(4) . .
C6B N1B Ag1 124.7(4) . .
N3B C2B N1B 127.2(6) . .
N3B C2B H2B 116.4 . .
N1B C2B H2B 116.4 . .
C2B N3B C4B 112.6(6) . .
N3B C4B N9B 124.7(6) . .
N3B C4B C5B 126.8(6) . .
N9B C4B C5B 108.5(6) . .
C4B C5B C6B 116.0(6) . .
C4B C5B C7B 107.2(6) . .
C6B C5B C7B 136.7(6) . .
N6B C6B N1B 119.7(6) . .
N6B C6B C5B 122.2(6) . .
N1B C6B C5B 118.1(6) . .
C6B N6B H61B 120.0 . .
C6B N6B H62B 120.0 . .
H61B N6B H62B 120.0 . .
C8B C7B C5B 107.3(6) . .
C8B C7B H7B 126.4 . .
C5B C7B H7B 126.4 . .
C7B C8B N9B 110.1(6) . .
C7B C8B H8B 125.0 . .
N9B C8B H8B 125.0 . .
C4B N9B C8B 106.9(6) . .
C4B N9B C10B 127.3(6) . .
C8B N9B C10B 125.3(6) . .
N9B C10B C11B 114.5(6) . .
N9B C10B H01B 108.6 . .
C11B C10B H01B 108.6 . .
N9B C10B H02B 108.6 . .
C11B C10B H02B 108.6 . .
H01B C10B H02B 107.6 . .
C10B C11B C12B 110.1(7) . .
C10B C11B H11B 109.6 . .
C12B C11B H11B 109.6 . .
C10B C11B H12B 109.6 . .
C12B C11B H12B 109.6 . .
H11B C11B H12B 108.1 . .
C11B C12B H21B 109.5 . .
C11B C12B H22B 109.5 . .
H21B C12B H22B 109.5 . .
C11B C12B H23B 109.5 . .
H21B C12B H23B 109.5 . .
H22B C12B H23B 109.5 . .
O2 N1N O3 122.0(6) . .
O2 N1N O1 120.3(6) . .
O3 N1N O1 117.6(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1B 2.150(5) .
Ag1 N1A 2.152(5) .
Ag1 Ag1 3.3564(10) 3_666
N1A C2A 1.360(9) .
N1A C6A 1.373(8) .
C2A N3A 1.312(9) .
C2A H2A 0.9500 .
N3A C4A 1.341(9) .
C4A N9A 1.368(9) .
C4A C5A 1.401(10) .
C5A C6A 1.408(9) .
C5A C7A 1.440(10) .
C6A N6A 1.327(9) .
N6A H61A 0.8800 .
N6A H62A 0.8800 .
C7A C8A 1.343(11) .
C7A H7A 0.9500 .
C8A N9A 1.385(11) .
C8A H8A 0.9500 .
N9A C10A 1.462(10) .
C10A C11A 1.526(11) .
C10A H01A 0.9900 .
C10A H02A 0.9900 .
C11A C12A 1.515(11) .
C11A H11A 0.9900 .
C11A H12A 0.9900 .
C12A H21A 0.9800 .
C12A H22A 0.9800 .
C12A H23A 0.9800 .
N1B C2B 1.355(8) .
N1B C6B 1.366(8) .
C2B N3B 1.325(8) .
C2B H2B 0.9500 .
N3B C4B 1.350(8) .
C4B N9B 1.378(8) .
C4B C5B 1.391(9) .
C5B C6B 1.413(9) .
C5B C7B 1.423(9) .
C6B N6B 1.330(8) .
N6B H61B 0.8800 .
N6B H62B 0.8800 .
C7B C8B 1.343(10) .
C7B H7B 0.9500 .
C8B N9B 1.403(9) .
C8B H8B 0.9500 .
N9B C10B 1.465(9) .
C10B C11B 1.496(11) .
C10B H01B 0.9900 .
C10B H02B 0.9900 .
C11B C12B 1.532(12) .
C11B H11B 0.9900 .
C11B H12B 0.9900 .
C12B H21B 0.9800 .
C12B H22B 0.9800 .
C12B H23B 0.9800 .
N1N O2 1.231(7) .
N1N O3 1.240(7) .
N1N O1 1.275(7) .
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
N6A H61A O2 0.88 2.44 3.112(8) 133.9 4_565 yes
N6A H62A N3B 0.88 2.07 2.924(8) 162.6 2_655 yes
N6B H61B O1 0.88 2.07 2.934(8) 167.0 . yes
N6B H62B O3 0.88 2.08 2.940(8) 165.0 2_646 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
C6A N1A C2A N3A -1.2(10) . . . .
Ag1 N1A C2A N3A 176.8(5) . . . .
N1A C2A N3A C4A -1.0(10) . . . .
C2A N3A C4A N9A -178.4(6) . . . .
C2A N3A C4A C5A 1.0(9) . . . .
N3A C4A C5A C6A 1.1(10) . . . .
N9A C4A C5A C6A -179.4(6) . . . .
N3A C4A C5A C7A 179.2(6) . . . .
N9A C4A C5A C7A -1.3(7) . . . .
C2A N1A C6A N6A -176.0(6) . . . .
Ag1 N1A C6A N6A 5.9(8) . . . .
C2A N1A C6A C5A 3.5(8) . . . .
Ag1 N1A C6A C5A -174.6(4) . . . .
C4A C5A C6A N6A 176.0(6) . . . .
C7A C5A C6A N6A -1.3(12) . . . .
C4A C5A C6A N1A -3.4(9) . . . .
C7A C5A C6A N1A 179.3(7) . . . .
C4A C5A C7A C8A 1.7(8) . . . .
C6A C5A C7A C8A 179.2(8) . . . .
C5A C7A C8A N9A -1.6(9) . . . .
N3A C4A N9A C8A 179.8(6) . . . .
C5A C4A N9A C8A 0.3(8) . . . .
N3A C4A N9A C10A 1.9(11) . . . .
C5A C4A N9A C10A -177.6(6) . . . .
C7A C8A N9A C4A 0.8(9) . . . .
C7A C8A N9A C10A 178.6(7) . . . .
C4A N9A C10A C11A -86.9(9) . . . .
C8A N9A C10A C11A 95.7(10) . . . .
N9A C10A C11A C12A -177.6(8) . . . .
C6B N1B C2B N3B 1.5(10) . . . .
Ag1 N1B C2B N3B -174.9(5) . . . .
N1B C2B N3B C4B -0.4(9) . . . .
C2B N3B C4B N9B 177.0(6) . . . .
C2B N3B C4B C5B -2.4(9) . . . .
N3B C4B C5B C6B 3.9(9) . . . .
N9B C4B C5B C6B -175.6(5) . . . .
N3B C4B C5B C7B -179.2(6) . . . .
N9B C4B C5B C7B 1.3(7) . . . .
C2B N1B C6B N6B -179.2(6) . . . .
Ag1 N1B C6B N6B -3.1(8) . . . .
C2B N1B C6B C5B 0.1(8) . . . .
Ag1 N1B C6B C5B 176.2(4) . . . .
C4B C5B C6B N6B 176.8(6) . . . .
C7B C5B C6B N6B 1.0(11) . . . .
C4B C5B C6B N1B -2.5(8) . . . .
C7B C5B C6B N1B -178.2(7) . . . .
C4B C5B C7B C8B -0.8(7) . . . .
C6B C5B C7B C8B 175.2(7) . . . .
C5B C7B C8B N9B 0.0(8) . . . .
N3B C4B N9B C8B 179.1(6) . . . .
C5B C4B N9B C8B -1.4(7) . . . .
N3B C4B N9B C10B -8.8(10) . . . .
C5B C4B N9B C10B 170.7(6) . . . .
C7B C8B N9B C4B 0.9(7) . . . .
C7B C8B N9B C10B -171.4(6) . . . .
C4B N9B C10B C11B 92.3(8) . . . .
C8B N9B C10B C11B -97.0(8) . . . .
N9B C10B C11B C12B 169.7(7) . . . .