#------------------------------------------------------------------------------
#$Date: 2023-05-05 18:44:40 +0300 (Fri, 05 May 2023) $
#$Revision: 283529 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/90/1569044.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_1569044
loop_
_publ_author_name
'Olbrykh, Arina'
'Titov, Aleksei'
'Smol’yakov, Alexander'
'Filippov, Oleg'
'Shubina, Elena S.'
_publ_section_title
;
 Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear
 Silver(I) Pyrazolate Complex
;
_journal_issue                   4
_journal_name_full               Inorganics
_journal_page_first              175
_journal_paper_doi               10.3390/inorganics11040175
_journal_volume                  11
_journal_year                    2023
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C15 H3 Ag3 F18 N6, C22 H15 N O'
_chemical_formula_sum            'C37 H18 Ag3 F18 N7 O'
_chemical_formula_weight         1242.19
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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             2023-04-11
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_cell_angle_alpha                114.7540(10)
_cell_angle_beta                 102.7180(10)
_cell_angle_gamma                94.9140(10)
_cell_formula_units_Z            1
_cell_length_a                   7.8326(2)
_cell_length_b                   11.0556(2)
_cell_length_c                   12.8446(3)
_cell_measurement_reflns_used    9976
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.66
_cell_measurement_theta_min      2.72
_cell_volume                     965.22(4)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0170
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9600
_diffrn_reflns_point_group_measured_fraction_full 0.711
_diffrn_reflns_point_group_measured_fraction_max 0.707
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_min         2.051
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.638
_exptl_absorpt_correction_T_max  0.3803
_exptl_absorpt_correction_T_min  0.3168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0767 before and 0.0365 after correction.
The Ratio of minimum to maximum transmission is 0.8330.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_description       prism
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details
;
 Flack x determined using 1552 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.004(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         5359
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0155
_refine_ls_R_factor_gt           0.0153
_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)+(0.0150P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0367
_refine_ls_wR_factor_ref         0.0368
_reflns_Friedel_coverage         0.420
_reflns_Friedel_fraction_full    0.426
_reflns_Friedel_fraction_max     0.418
_reflns_number_gt                5326
_reflns_number_total             5359
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            E-1Ag.cif
_cod_data_source_block           a
_cod_database_code               1569044
_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_max   0.880
_shelx_estimated_absorpt_t_min   0.695
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C7(H7), C12(H12), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23),
 C24(H24), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31), C34(H34), C35(H35),
  C36(H36), C37(H37)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'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 0.70688(3) 0.68056(2) 0.49329(2) 0.01805(6) Uani 1 1 d . . . . .
Ag2 Ag 0.71378(3) 0.50290(2) 0.65897(2) 0.01763(6) Uani 1 1 d . . . . .
Ag3 Ag 0.42629(3) 0.36656(2) 0.36592(2) 0.01881(6) Uani 1 1 d . . . . .
F1 F 0.8932(4) 1.0446(3) 0.6989(3) 0.0432(6) Uani 1 1 d . . . . .
F2 F 1.0192(3) 0.9269(2) 0.5686(2) 0.0310(5) Uani 1 1 d . . . . .
F3 F 1.1778(3) 1.0704(2) 0.7456(2) 0.0380(6) Uani 1 1 d . . . . .
F4 F 1.1810(4) 0.7826(3) 1.0148(2) 0.0465(7) Uani 1 1 d . . . . .
F5 F 1.2212(3) 0.6078(3) 0.8732(2) 0.0367(6) Uani 1 1 d . . . . .
F6 F 0.9685(3) 0.6084(3) 0.9073(2) 0.0348(6) Uani 1 1 d . . . . .
F7 F 0.5021(4) 0.3839(3) 0.8324(2) 0.0509(8) Uani 1 1 d . . . . .
F8 F 0.7439(3) 0.3283(3) 0.7945(2) 0.0435(7) Uani 1 1 d . . . . .
F9 F 0.5417(4) 0.1824(3) 0.7903(2) 0.0445(7) Uani 1 1 d . . . . .
F10 F 0.0959(3) 0.0987(3) 0.2813(2) 0.0440(7) Uani 1 1 d . . . . .
F11 F 0.1648(4) -0.0712(3) 0.3090(2) 0.0518(8) Uani 1 1 d . . . . .
F12 F 0.3275(3) 0.0279(3) 0.24298(19) 0.0359(6) Uani 1 1 d . . . . .
F13 F 0.1494(3) 0.3070(3) -0.0313(2) 0.0433(7) Uani 1 1 d . . . . .
F14 F 0.1475(3) 0.2563(3) 0.1127(2) 0.0374(6) Uani 1 1 d . . . . .
F15 F 0.3541(3) 0.2130(2) 0.0261(2) 0.0373(6) Uani 1 1 d . . . . .
F16 F 0.5447(3) 0.8281(2) 0.1903(2) 0.0372(6) Uani 1 1 d . . . . .
F17 F 0.7746(3) 0.8152(3) 0.3090(3) 0.0452(7) Uani 1 1 d . . . . .
F18 F 0.5529(4) 0.8810(2) 0.3723(2) 0.0350(6) Uani 1 1 d . . . . .
N1 N 0.8912(4) 0.7568(3) 0.6622(3) 0.0173(6) Uani 1 1 d . . . . .
N2 N 0.9086(4) 0.6802(3) 0.7212(2) 0.0164(6) Uani 1 1 d . . . . .
N3 N 0.5103(4) 0.3292(3) 0.5894(2) 0.0173(6) Uani 1 1 d . . . . .
N4 N 0.4190(4) 0.2675(3) 0.4714(3) 0.0173(6) Uani 1 1 d . . . . .
N5 N 0.4407(4) 0.4708(3) 0.2648(2) 0.0176(6) Uani 1 1 d . . . . .
N6 N 0.5333(4) 0.6003(3) 0.3204(3) 0.0173(6) Uani 1 1 d . . . . .
C1 C 1.0184(4) 0.8712(4) 0.7261(3) 0.0175(7) Uani 1 1 d . . . . .
C2 C 1.1203(4) 0.8697(4) 0.8284(3) 0.0198(7) Uani 1 1 d . . . . .
H2 H 1.217875 0.937137 0.889269 0.024 Uiso 1 1 calc R U . . .
C3 C 1.0473(4) 0.7481(4) 0.8214(3) 0.0174(7) Uani 1 1 d . . . . .
C4 C 1.0277(5) 0.9777(4) 0.6861(3) 0.0241(8) Uani 1 1 d . . . . .
C5 C 1.1039(5) 0.6876(4) 0.9035(3) 0.0229(8) Uani 1 1 d . . . . .
C6 C 0.4845(4) 0.2408(3) 0.6335(3) 0.0183(7) Uani 1 1 d . . . . .
C7 C 0.3763(4) 0.1188(4) 0.5453(3) 0.0200(7) Uani 1 1 d . . . . .
H7 H 0.337314 0.039112 0.551776 0.024 Uiso 1 1 calc R U . . .
C8 C 0.3393(4) 0.1417(4) 0.4457(3) 0.0181(7) Uani 1 1 d . . . . .
C9 C 0.5659(5) 0.2826(4) 0.7621(3) 0.0223(7) Uani 1 1 d . . . . .
C10 C 0.2318(5) 0.0492(4) 0.3211(3) 0.0228(8) Uani 1 1 d . . . . .
C11 C 0.3617(4) 0.4421(4) 0.1497(3) 0.0203(7) Uani 1 1 d . . . . .
C12 C 0.4030(4) 0.5539(4) 0.1304(3) 0.0204(7) Uani 1 1 d . . . . .
H12 H 0.365677 0.562401 0.058665 0.025 Uiso 1 1 calc R U . . .
C13 C 0.5114(4) 0.6500(4) 0.2406(3) 0.0177(7) Uani 1 1 d . . . . .
C14 C 0.2534(5) 0.3054(4) 0.0645(3) 0.0244(8) Uani 1 1 d . . . . .
C15 C 0.5956(5) 0.7927(4) 0.2776(3) 0.0214(7) Uani 1 1 d . . . . .
O1 O 0.4597(4) 0.8724(3) 0.6511(2) 0.0337(7) Uani 1 1 d . . . . .
N7 N 0.5661(4) 0.7209(3) 0.8436(3) 0.0235(6) Uani 1 1 d . . . . .
C16 C 0.4607(5) 0.7870(4) 0.6868(3) 0.0204(8) Uani 1 1 d . . . . .
C17 C 0.3462(5) 0.6485(4) 0.6156(3) 0.0209(8) Uani 1 1 d . . . . .
H17 H 0.372033 0.575676 0.633342 0.025 Uiso 1 1 calc R U . . .
C18 C 0.2052(4) 0.6299(4) 0.5254(3) 0.0192(7) Uani 1 1 d . . . . .
H18 H 0.192549 0.709419 0.515398 0.023 Uiso 1 1 calc R U . . .
C19 C 0.0676(5) 0.5104(4) 0.4396(3) 0.0184(8) Uani 1 1 d . . . . .
C20 C -0.0049(4) 0.5046(4) 0.3256(3) 0.0183(7) Uani 1 1 d . . . . .
C21 C 0.0598(5) 0.6032(4) 0.2915(3) 0.0215(8) Uani 1 1 d . . . . .
H21 H 0.154869 0.676737 0.347295 0.026 Uiso 1 1 calc R U . . .
C22 C -0.0110(5) 0.5949(4) 0.1813(3) 0.0236(8) Uani 1 1 d . . . . .
H22 H 0.034197 0.662820 0.161802 0.028 Uiso 1 1 calc R U . . .
C23 C -0.1518(5) 0.4855(4) 0.0953(3) 0.0265(8) Uani 1 1 d . . . . .
H23 H -0.200616 0.480314 0.018592 0.032 Uiso 1 1 calc R U . . .
C24 C -0.2161(5) 0.3889(4) 0.1226(3) 0.0243(8) Uani 1 1 d . . . . .
H24 H -0.309569 0.315614 0.064262 0.029 Uiso 1 1 calc R U . . .
C25 C -0.1468(4) 0.3945(4) 0.2375(3) 0.0195(7) Uani 1 1 d . . . . .
C26 C -0.2112(4) 0.2941(4) 0.2657(3) 0.0208(7) Uani 1 1 d . . . . .
H26 H -0.306312 0.221973 0.207595 0.025 Uiso 1 1 calc R U . . .
C27 C -0.1414(4) 0.2954(4) 0.3759(3) 0.0204(7) Uani 1 1 d . . . . .
C28 C -0.2081(5) 0.1894(4) 0.3997(4) 0.0253(8) Uani 1 1 d . . . . .
H28 H -0.301501 0.117174 0.339800 0.030 Uiso 1 1 calc R U . . .
C29 C -0.1406(5) 0.1891(4) 0.5070(4) 0.0289(9) Uani 1 1 d . . . . .
H29 H -0.184349 0.116281 0.521314 0.035 Uiso 1 1 calc R U . . .
C30 C -0.0052(5) 0.2984(4) 0.5962(3) 0.0279(8) Uani 1 1 d . . . . .
H30 H 0.039874 0.299564 0.671717 0.033 Uiso 1 1 calc R U . . .
C31 C 0.0628(5) 0.4021(4) 0.5772(3) 0.0226(8) Uani 1 1 d . . . . .
H31 H 0.153895 0.474126 0.639711 0.027 Uiso 1 1 calc R U . . .
C32 C 0.0002(5) 0.4053(4) 0.4650(3) 0.0190(7) Uani 1 1 d . . . . .
C33 C 0.5760(4) 0.8197(4) 0.8093(3) 0.0184(7) Uani 1 1 d . . . . .
C34 C 0.6828(5) 0.9477(4) 0.8804(3) 0.0239(8) Uani 1 1 d . . . . .
H34 H 0.688115 1.013931 0.851621 0.029 Uiso 1 1 calc R U . . .
C35 C 0.7827(5) 0.9767(4) 0.9954(3) 0.0288(9) Uani 1 1 d . . . . .
H35 H 0.857586 1.063424 1.046947 0.035 Uiso 1 1 calc R U . . .
C36 C 0.7701(5) 0.8771(4) 1.0325(3) 0.0293(9) Uani 1 1 d . . . . .
H36 H 0.835069 0.894141 1.110674 0.035 Uiso 1 1 calc R U . . .
C37 C 0.6611(5) 0.7511(4) 0.9539(3) 0.0279(8) Uani 1 1 d . . . . .
H37 H 0.653941 0.682909 0.980281 0.033 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 0.0033 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'
F F 0.0171 0.0103 '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
N6 Ag1 N1 176.97(12) . . ?
N3 Ag2 N2 176.59(11) . . ?
N4 Ag3 N5 178.07(12) . . ?
N2 N1 Ag1 120.1(2) . . ?
C1 N1 Ag1 131.7(3) . . ?
C1 N1 N2 107.8(3) . . ?
N1 N2 Ag2 118.9(2) . . ?
N1 N2 C3 107.7(3) . . ?
C3 N2 Ag2 133.0(2) . . ?
N4 N3 Ag2 120.3(2) . . ?
C6 N3 Ag2 129.0(2) . . ?
C6 N3 N4 107.8(3) . . ?
N3 N4 Ag3 121.0(2) . . ?
C8 N4 Ag3 132.0(2) . . ?
C8 N4 N3 107.0(3) . . ?
N6 N5 Ag3 118.5(2) . . ?
N6 N5 C11 107.5(3) . . ?
C11 N5 Ag3 133.7(3) . . ?
N5 N6 Ag1 121.0(2) . . ?
C13 N6 Ag1 130.3(2) . . ?
C13 N6 N5 108.0(3) . . ?
N1 C1 C2 110.1(3) . . ?
N1 C1 C4 120.3(3) . . ?
C2 C1 C4 129.5(3) . . ?
C1 C2 H2 128.0 . . ?
C3 C2 C1 103.9(3) . . ?
C3 C2 H2 128.0 . . ?
N2 C3 C2 110.4(3) . . ?
N2 C3 C5 120.6(3) . . ?
C2 C3 C5 129.0(3) . . ?
F1 C4 F2 105.4(3) . . ?
F1 C4 C1 112.9(3) . . ?
F2 C4 C1 112.4(3) . . ?
F3 C4 F1 106.7(3) . . ?
F3 C4 F2 106.7(3) . . ?
F3 C4 C1 112.3(3) . . ?
F4 C5 F5 106.5(3) . . ?
F4 C5 F6 107.0(3) . . ?
F4 C5 C3 111.6(3) . . ?
F5 C5 F6 104.8(3) . . ?
F5 C5 C3 113.2(3) . . ?
F6 C5 C3 113.2(3) . . ?
N3 C6 C7 111.0(3) . . ?
N3 C6 C9 119.5(3) . . ?
C7 C6 C9 129.5(3) . . ?
C6 C7 H7 128.6 . . ?
C8 C7 C6 102.8(3) . . ?
C8 C7 H7 128.6 . . ?
N4 C8 C7 111.4(3) . . ?
N4 C8 C10 118.9(3) . . ?
C7 C8 C10 129.6(3) . . ?
F7 C9 F8 105.7(3) . . ?
F7 C9 C6 112.5(3) . . ?
F8 C9 C6 111.4(3) . . ?
F9 C9 F7 107.4(3) . . ?
F9 C9 F8 106.7(3) . . ?
F9 C9 C6 112.6(3) . . ?
F10 C10 C8 113.1(3) . . ?
F11 C10 F10 107.5(3) . . ?
F11 C10 F12 106.9(3) . . ?
F11 C10 C8 112.1(3) . . ?
F12 C10 F10 104.3(3) . . ?
F12 C10 C8 112.4(3) . . ?
N5 C11 C12 110.3(3) . . ?
N5 C11 C14 120.4(3) . . ?
C12 C11 C14 129.3(3) . . ?
C11 C12 H12 128.3 . . ?
C13 C12 C11 103.4(3) . . ?
C13 C12 H12 128.3 . . ?
N6 C13 C12 110.9(3) . . ?
N6 C13 C15 120.0(3) . . ?
C12 C13 C15 129.1(3) . . ?
F13 C14 F14 107.3(3) . . ?
F13 C14 F15 107.1(3) . . ?
F13 C14 C11 111.2(3) . . ?
F14 C14 C11 112.5(3) . . ?
F15 C14 F14 105.7(3) . . ?
F15 C14 C11 112.6(3) . . ?
F16 C15 F17 107.0(3) . . ?
F16 C15 F18 107.0(3) . . ?
F16 C15 C13 111.4(3) . . ?
F17 C15 C13 113.2(3) . . ?
F18 C15 F17 105.6(3) . . ?
F18 C15 C13 112.1(3) . . ?
C37 N7 C33 117.0(3) . . ?
O1 C16 C17 122.6(3) . . ?
O1 C16 C33 120.3(3) . . ?
C17 C16 C33 117.0(3) . . ?
C16 C17 H17 121.1 . . ?
C18 C17 C16 117.8(4) . . ?
C18 C17 H17 121.1 . . ?
C17 C18 H18 113.9 . . ?
C17 C18 C19 132.1(4) . . ?
C19 C18 H18 113.9 . . ?
C20 C19 C18 116.1(3) . . ?
C20 C19 C32 119.5(4) . . ?
C32 C19 C18 124.3(3) . . ?
C19 C20 C21 123.0(3) . . ?
C19 C20 C25 120.1(4) . . ?
C21 C20 C25 116.9(3) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 C20 121.9(3) . . ?
C22 C21 H21 119.1 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.5(4) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.9(4) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.3 . . ?
C23 C24 C25 121.4(3) . . ?
C25 C24 H24 119.3 . . ?
C24 C25 C20 119.5(4) . . ?
C26 C25 C20 118.9(4) . . ?
C26 C25 C24 121.6(3) . . ?
C25 C26 H26 118.8 . . ?
C25 C26 C27 122.5(3) . . ?
C27 C26 H26 118.8 . . ?
C26 C27 C28 120.6(3) . . ?
C26 C27 C32 119.2(4) . . ?
C28 C27 C32 120.2(4) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 C27 121.3(4) . . ?
C29 C28 H28 119.4 . . ?
C28 C29 H29 120.5 . . ?
C28 C29 C30 118.9(4) . . ?
C30 C29 H29 120.5 . . ?
C29 C30 H30 119.1 . . ?
C31 C30 C29 121.8(4) . . ?
C31 C30 H30 119.1 . . ?
C30 C31 H31 119.3 . . ?
C30 C31 C32 121.5(4) . . ?
C32 C31 H31 119.3 . . ?
C19 C32 C27 119.8(3) . . ?
C19 C32 C31 123.9(3) . . ?
C31 C32 C27 116.3(4) . . ?
N7 C33 C16 116.7(3) . . ?
N7 C33 C34 123.8(3) . . ?
C34 C33 C16 119.5(4) . . ?
C33 C34 H34 120.9 . . ?
C33 C34 C35 118.2(4) . . ?
C35 C34 H34 120.9 . . ?
C34 C35 H35 120.7 . . ?
C36 C35 C34 118.5(4) . . ?
C36 C35 H35 120.7 . . ?
C35 C36 H36 120.5 . . ?
C35 C36 C37 118.9(4) . . ?
C37 C36 H36 120.5 . . ?
N7 C37 C36 123.5(4) . . ?
N7 C37 H37 118.2 . . ?
C36 C37 H37 118.2 . . ?
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 N1 2.094(3) . ?
Ag1 N6 2.093(3) . ?
Ag2 N2 2.109(3) . ?
Ag2 N3 2.107(3) . ?
Ag3 N4 2.074(3) . ?
Ag3 N5 2.080(3) . ?
F1 C4 1.339(5) . ?
F2 C4 1.355(4) . ?
F3 C4 1.327(4) . ?
F4 C5 1.329(4) . ?
F5 C5 1.335(4) . ?
F6 C5 1.339(4) . ?
F7 C9 1.329(4) . ?
F8 C9 1.349(4) . ?
F9 C9 1.313(4) . ?
F10 C10 1.338(4) . ?
F11 C10 1.320(5) . ?
F12 C10 1.337(4) . ?
F13 C14 1.326(4) . ?
F14 C14 1.341(5) . ?
F15 C14 1.340(4) . ?
F16 C15 1.330(4) . ?
F17 C15 1.340(4) . ?
F18 C15 1.336(4) . ?
N1 N2 1.349(4) . ?
N1 C1 1.349(4) . ?
N2 C3 1.354(4) . ?
N3 N4 1.360(4) . ?
N3 C6 1.340(5) . ?
N4 C8 1.345(5) . ?
N5 N6 1.350(4) . ?
N5 C11 1.356(4) . ?
N6 C13 1.340(5) . ?
C1 C2 1.387(5) . ?
C1 C4 1.471(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.373(5) . ?
C3 C5 1.481(5) . ?
C6 C7 1.387(5) . ?
C6 C9 1.482(5) . ?
C7 H7 0.9500 . ?
C7 C8 1.380(5) . ?
C8 C10 1.485(5) . ?
C11 C12 1.384(5) . ?
C11 C14 1.479(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.382(5) . ?
C13 C15 1.484(5) . ?
O1 C16 1.211(5) . ?
N7 C33 1.340(5) . ?
N7 C37 1.330(5) . ?
C16 C17 1.488(5) . ?
C16 C33 1.505(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.343(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.461(5) . ?
C19 C20 1.422(5) . ?
C19 C32 1.422(5) . ?
C20 C21 1.428(5) . ?
C20 C25 1.434(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.363(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.420(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.347(6) . ?
C24 H24 0.9500 . ?
C24 C25 1.429(5) . ?
C25 C26 1.393(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.394(5) . ?
C27 C28 1.416(6) . ?
C27 C32 1.436(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.366(6) . ?
C29 H29 0.9500 . ?
C29 C30 1.409(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.359(6) . ?
C31 H31 0.9500 . ?
C31 C32 1.433(5) . ?
C33 C34 1.384(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.396(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.376(6) . ?
C36 H36 0.9500 . ?
C36 C37 1.388(6) . ?
C37 H37 0.9500 . ?
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 N2 Ag2 -12.7(3) . . . . ?
Ag1 N1 N2 C3 174.2(2) . . . . ?
Ag1 N1 C1 C2 -173.5(2) . . . . ?
Ag1 N1 C1 C4 9.2(5) . . . . ?
Ag1 N6 C13 C12 170.2(2) . . . . ?
Ag1 N6 C13 C15 -11.3(5) . . . . ?
Ag2 N2 C3 C2 -171.4(2) . . . . ?
Ag2 N2 C3 C5 10.3(5) . . . . ?
Ag2 N3 N4 Ag3 -16.4(3) . . . . ?
Ag2 N3 N4 C8 162.1(2) . . . . ?
Ag2 N3 C6 C7 -159.9(2) . . . . ?
Ag2 N3 C6 C9 21.2(5) . . . . ?
Ag3 N4 C8 C7 178.2(2) . . . . ?
Ag3 N4 C8 C10 -0.7(5) . . . . ?
Ag3 N5 N6 Ag1 14.1(3) . . . . ?
Ag3 N5 N6 C13 -174.8(2) . . . . ?
Ag3 N5 C11 C12 173.5(2) . . . . ?
Ag3 N5 C11 C14 -7.9(5) . . . . ?
N1 N2 C3 C2 0.3(4) . . . . ?
N1 N2 C3 C5 -178.0(3) . . . . ?
N1 C1 C2 C3 0.3(4) . . . . ?
N1 C1 C4 F1 71.0(4) . . . . ?
N1 C1 C4 F2 -48.1(5) . . . . ?
N1 C1 C4 F3 -168.4(3) . . . . ?
N2 N1 C1 C2 -0.1(4) . . . . ?
N2 N1 C1 C4 -177.4(3) . . . . ?
N2 C3 C5 F4 -152.9(3) . . . . ?
N2 C3 C5 F5 87.0(4) . . . . ?
N2 C3 C5 F6 -32.1(5) . . . . ?
N3 N4 C8 C7 0.0(4) . . . . ?
N3 N4 C8 C10 -178.8(3) . . . . ?
N3 C6 C7 C8 -0.3(4) . . . . ?
N3 C6 C9 F7 63.7(4) . . . . ?
N3 C6 C9 F8 -54.8(4) . . . . ?
N3 C6 C9 F9 -174.7(3) . . . . ?
N4 N3 C6 C7 0.3(4) . . . . ?
N4 N3 C6 C9 -178.6(3) . . . . ?
N4 C8 C10 F10 -59.5(4) . . . . ?
N4 C8 C10 F11 178.8(3) . . . . ?
N4 C8 C10 F12 58.3(4) . . . . ?
N5 N6 C13 C12 0.2(4) . . . . ?
N5 N6 C13 C15 178.7(3) . . . . ?
N5 C11 C12 C13 0.2(4) . . . . ?
N5 C11 C14 F13 162.8(3) . . . . ?
N5 C11 C14 F14 42.3(5) . . . . ?
N5 C11 C14 F15 -76.9(4) . . . . ?
N6 N5 C11 C12 -0.1(4) . . . . ?
N6 N5 C11 C14 178.5(3) . . . . ?
N6 C13 C15 F16 -173.6(3) . . . . ?
N6 C13 C15 F17 65.8(4) . . . . ?
N6 C13 C15 F18 -53.7(4) . . . . ?
C1 N1 N2 Ag2 173.0(2) . . . . ?
C1 N1 N2 C3 -0.1(4) . . . . ?
C1 C2 C3 N2 -0.4(4) . . . . ?
C1 C2 C3 C5 177.7(3) . . . . ?
C2 C1 C4 F1 -105.7(4) . . . . ?
C2 C1 C4 F2 135.2(4) . . . . ?
C2 C1 C4 F3 14.9(5) . . . . ?
C2 C3 C5 F4 29.2(5) . . . . ?
C2 C3 C5 F5 -90.9(4) . . . . ?
C2 C3 C5 F6 150.0(4) . . . . ?
C4 C1 C2 C3 177.3(4) . . . . ?
C6 N3 N4 Ag3 -178.6(2) . . . . ?
C6 N3 N4 C8 -0.2(4) . . . . ?
C6 C7 C8 N4 0.2(4) . . . . ?
C6 C7 C8 C10 178.8(3) . . . . ?
C7 C6 C9 F7 -114.8(4) . . . . ?
C7 C6 C9 F8 126.6(4) . . . . ?
C7 C6 C9 F9 6.7(6) . . . . ?
C7 C8 C10 F10 121.9(4) . . . . ?
C7 C8 C10 F11 0.2(5) . . . . ?
C7 C8 C10 F12 -120.3(4) . . . . ?
C9 C6 C7 C8 178.4(3) . . . . ?
C11 N5 N6 Ag1 -171.2(2) . . . . ?
C11 N5 N6 C13 0.0(3) . . . . ?
C11 C12 C13 N6 -0.3(4) . . . . ?
C11 C12 C13 C15 -178.6(3) . . . . ?
C12 C11 C14 F13 -18.9(5) . . . . ?
C12 C11 C14 F14 -139.3(4) . . . . ?
C12 C11 C14 F15 101.4(4) . . . . ?
C12 C13 C15 F16 4.6(5) . . . . ?
C12 C13 C15 F17 -116.1(4) . . . . ?
C12 C13 C15 F18 124.5(4) . . . . ?
C14 C11 C12 C13 -178.2(3) . . . . ?
O1 C16 C17 C18 -18.3(6) . . . . ?
O1 C16 C33 N7 178.3(3) . . . . ?
O1 C16 C33 C34 -0.9(5) . . . . ?
N7 C33 C34 C35 -1.7(5) . . . . ?
C16 C17 C18 C19 -179.7(4) . . . . ?
C16 C33 C34 C35 177.4(3) . . . . ?
C17 C16 C33 N7 0.3(5) . . . . ?
C17 C16 C33 C34 -178.9(3) . . . . ?
C17 C18 C19 C20 -149.9(4) . . . . ?
C17 C18 C19 C32 32.4(6) . . . . ?
C18 C19 C20 C21 4.5(5) . . . . ?
C18 C19 C20 C25 -177.0(3) . . . . ?
C18 C19 C32 C27 177.0(3) . . . . ?
C18 C19 C32 C31 -1.8(6) . . . . ?
C19 C20 C21 C22 179.5(4) . . . . ?
C19 C20 C25 C24 -178.9(3) . . . . ?
C19 C20 C25 C26 -0.1(5) . . . . ?
C20 C19 C32 C27 -0.7(5) . . . . ?
C20 C19 C32 C31 -179.4(3) . . . . ?
C20 C21 C22 C23 -0.8(5) . . . . ?
C20 C25 C26 C27 -0.9(5) . . . . ?
C21 C20 C25 C24 -0.4(5) . . . . ?
C21 C20 C25 C26 178.4(3) . . . . ?
C21 C22 C23 C24 0.0(6) . . . . ?
C22 C23 C24 C25 0.6(6) . . . . ?
C23 C24 C25 C20 -0.4(5) . . . . ?
C23 C24 C25 C26 -179.2(3) . . . . ?
C24 C25 C26 C27 177.9(3) . . . . ?
C25 C20 C21 C22 0.9(5) . . . . ?
C25 C26 C27 C28 -178.4(3) . . . . ?
C25 C26 C27 C32 1.1(5) . . . . ?
C26 C27 C28 C29 179.8(3) . . . . ?
C26 C27 C32 C19 -0.3(5) . . . . ?
C26 C27 C32 C31 178.6(3) . . . . ?
C27 C28 C29 C30 1.5(6) . . . . ?
C28 C27 C32 C19 179.2(3) . . . . ?
C28 C27 C32 C31 -1.9(5) . . . . ?
C28 C29 C30 C31 -1.6(6) . . . . ?
C29 C30 C31 C32 -0.2(6) . . . . ?
C30 C31 C32 C19 -179.3(3) . . . . ?
C30 C31 C32 C27 1.9(5) . . . . ?
C32 C19 C20 C21 -177.6(3) . . . . ?
C32 C19 C20 C25 0.9(5) . . . . ?
C32 C27 C28 C29 0.2(5) . . . . ?
C33 N7 C37 C36 -1.2(6) . . . . ?
C33 C16 C17 C18 159.7(3) . . . . ?
C33 C34 C35 C36 0.0(5) . . . . ?
C34 C35 C36 C37 0.9(6) . . . . ?
C35 C36 C37 N7 -0.3(6) . . . . ?
C37 N7 C33 C16 -176.9(3) . . . . ?
C37 N7 C33 C34 2.3(5) . . . . ?
