#------------------------------------------------------------------------------
#$Date: 2021-03-05 03:04:03 +0100 (vie 05 de mar de 2021) $
#$Revision: 262640 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/63/7706380.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_7706380
loop_
_publ_author_name
'Xu, Zou-Hong'
'Huang, Zi-Qing'
'Liu, Xiao-Hui'
'Zhao, Yue'
'Lu, Yi'
'Sun, Wei-Yin'
_publ_section_title
;
 Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands:
 turn-on fluorescence due to the coordination-driven rigidification and
 solvent-oriented structural transformation.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2183
_journal_page_last               2191
_journal_paper_doi               10.1039/d0dt04100a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C40 H28 Ag2 F6 N8 O6 S2'
_chemical_formula_weight         1110.56
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-12-01 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                104.755(3)
_cell_angle_beta                 91.935(3)
_cell_angle_gamma                105.054(3)
_cell_formula_units_Z            2
_cell_length_a                   10.9590(11)
_cell_length_b                   11.9156(12)
_cell_length_c                   19.0477(19)
_cell_measurement_reflns_used    9775
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      53.84
_cell_measurement_theta_min      3.53
_cell_volume                     2309.4(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_reflns_av_R_equivalents  0.0306
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.984
_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       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31081
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         53.890
_diffrn_reflns_theta_min         2.099
_exptl_absorpt_coefficient_mu    5.631
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.720
_refine_diff_density_min         -0.575
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         8321
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0296
_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)+(0.0479P)²+1.7079P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0840
_refine_ls_wR_factor_ref         0.0857
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7771
_reflns_number_total             8321
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt04100a2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7706376--7706381.cif.'
_cod_database_code               7706380
_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   0.551
_shelx_estimated_absorpt_t_max   0.662
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 0.55466(2) 0.85354(2) 0.46632(2) 0.04066(7) Uani 1 1 d . . . . .
Ag2 Ag -0.38949(2) 0.20809(2) 0.04632(2) 0.04612(8) Uani 1 1 d . . . . .
C1 C 0.4894(3) 0.9340(3) 0.62632(15) 0.0456(6) Uani 1 1 d . . . . .
H1 H 0.576142 0.975813 0.642297 0.055 Uiso 1 1 calc R U . . .
C2 C 0.3959(3) 0.9154(3) 0.67246(15) 0.0510(7) Uani 1 1 d . . . . .
H2 H 0.405256 0.941161 0.724308 0.061 Uiso 1 1 calc R U . . .
C3 C 0.2878(3) 0.8522(3) 0.62732(15) 0.0535(7) Uani 1 1 d . . . . .
H3 H 0.206129 0.824676 0.642264 0.064 Uiso 1 1 calc R U . . .
C4 C 0.2351(2) 0.7709(2) 0.49169(13) 0.0384(5) Uani 1 1 d . . . . .
C5 C 0.1598(3) 0.6548(2) 0.48435(15) 0.0436(6) Uani 1 1 d . . . . .
H5 H 0.156300 0.620392 0.524351 0.052 Uiso 1 1 calc R U . . .
C6 C 0.0898(2) 0.5894(2) 0.41801(15) 0.0417(6) Uani 1 1 d . . . . .
H6 H 0.036328 0.510364 0.412989 0.050 Uiso 1 1 calc R U . . .
C7 C 0.0968(2) 0.6376(2) 0.35867(14) 0.0354(5) Uani 1 1 d . . . . .
C8 C 0.1646(2) 0.7582(2) 0.36920(14) 0.0398(6) Uani 1 1 d . . . . .
H8 H 0.163407 0.795146 0.330568 0.048 Uiso 1 1 calc R U . . .
C9 C 0.2337(2) 0.8242(2) 0.43573(14) 0.0399(6) Uani 1 1 d . . . . .
H9 H 0.279980 0.906274 0.442714 0.048 Uiso 1 1 calc R U . . .
C10 C 0.0426(2) 0.5592(2) 0.28395(14) 0.0359(5) Uani 1 1 d . . . . .
C11 C -0.0938(2) 0.4877(2) 0.27319(13) 0.0348(5) Uani 1 1 d . . . . .
C12 C -0.1888(3) 0.5441(2) 0.29028(16) 0.0456(6) Uani 1 1 d . . . . .
H12 H -0.167294 0.626725 0.317276 0.055 Uiso 1 1 calc R U . . .
C13 C -0.3148(3) 0.4809(2) 0.26829(16) 0.0461(6) Uani 1 1 d . . . . .
H13 H -0.379544 0.520729 0.278166 0.055 Uiso 1 1 calc R U . . .
C14 C -0.3459(2) 0.3596(2) 0.23186(13) 0.0350(5) Uani 1 1 d . . . . .
C15 C -0.2541(2) 0.2990(2) 0.22052(13) 0.0342(5) Uani 1 1 d . . . . .
H15 H -0.276927 0.214189 0.198971 0.041 Uiso 1 1 calc R U . . .
C16 C -0.1283(2) 0.3637(2) 0.24107(13) 0.0350(5) Uani 1 1 d . . . . .
H16 H -0.064114 0.322796 0.233116 0.042 Uiso 1 1 calc R U . . .
C17 C -0.5783(3) 0.2959(3) 0.24257(16) 0.0481(7) Uani 1 1 d . . . . .
H17 H -0.578159 0.334563 0.292786 0.058 Uiso 1 1 calc R U . . .
C18 C -0.6829(3) 0.2287(3) 0.19441(17) 0.0499(7) Uani 1 1 d . . . . .
H18 H -0.769256 0.211187 0.204166 0.060 Uiso 1 1 calc R U . . .
C19 C -0.6359(3) 0.1918(2) 0.12850(16) 0.0433(6) Uani 1 1 d . . . . .
H19 H -0.687212 0.143331 0.084584 0.052 Uiso 1 1 calc R U . . .
C20 C 0.8017(3) 0.8891(3) 0.38527(16) 0.0441(6) Uani 1 1 d . . . . .
H20 H 0.855240 0.925520 0.429924 0.053 Uiso 1 1 calc R U . . .
C21 C 0.8428(3) 0.8842(3) 0.31679(16) 0.0451(6) Uani 1 1 d . . . . .
H21 H 0.926808 0.915002 0.305882 0.054 Uiso 1 1 calc R U . . .
C22 C 0.7365(2) 0.8253(2) 0.26819(15) 0.0401(6) Uani 1 1 d . . . . .
H22 H 0.732586 0.807411 0.216489 0.048 Uiso 1 1 calc R U . . .
C23 C 0.5102(2) 0.7298(2) 0.28244(13) 0.0320(5) Uani 1 1 d . . . . .
C24 C 0.4507(2) 0.6442(2) 0.31703(12) 0.0317(5) Uani 1 1 d . . . . .
H24 H 0.496858 0.628445 0.354813 0.038 Uiso 1 1 calc R U . . .
C25 C 0.3245(2) 0.5822(2) 0.29638(13) 0.0338(5) Uani 1 1 d . . . . .
H25 H 0.284053 0.523000 0.319759 0.041 Uiso 1 1 calc R U . . .
C26 C 0.2556(2) 0.6054(2) 0.24154(13) 0.0328(5) Uani 1 1 d . . . . .
C27 C 0.3190(2) 0.6849(2) 0.20398(14) 0.0379(5) Uani 1 1 d . . . . .
H27 H 0.274770 0.695649 0.163552 0.045 Uiso 1 1 calc R U . . .
C28 C 0.4459(2) 0.7488(2) 0.22442(13) 0.0379(5) Uani 1 1 d . . . . .
H28 H 0.487864 0.804515 0.199178 0.045 Uiso 1 1 calc R U . . .
C29 C 0.1150(2) 0.5516(2) 0.22776(13) 0.0342(5) Uani 1 1 d . . . . .
C30 C 0.0593(2) 0.4842(2) 0.15145(13) 0.0335(5) Uani 1 1 d . . . . .
C31 C -0.0517(2) 0.4993(2) 0.12205(14) 0.0363(5) Uani 1 1 d . . . . .
H31 H -0.083636 0.563571 0.147310 0.044 Uiso 1 1 calc R U . . .
C32 C -0.1163(2) 0.4219(2) 0.05644(13) 0.0354(5) Uani 1 1 d . . . . .
H32 H -0.191653 0.433046 0.036686 0.042 Uiso 1 1 calc R U . . .
C33 C -0.0695(2) 0.3285(2) 0.02030(13) 0.0338(5) Uani 1 1 d . . . . .
C34 C 0.0468(2) 0.3183(2) 0.04485(14) 0.0381(5) Uani 1 1 d . . . . .
H34 H 0.081891 0.258055 0.017317 0.046 Uiso 1 1 calc R U . . .
C35 C 0.1110(2) 0.3968(2) 0.10991(14) 0.0374(5) Uani 1 1 d . . . . .
H35 H 0.191342 0.391189 0.126530 0.045 Uiso 1 1 calc R U . . .
C36 C -0.0994(3) 0.1856(2) -0.10458(14) 0.0409(6) Uani 1 1 d . . . . .
H36 H -0.014227 0.204189 -0.116405 0.049 Uiso 1 1 calc R U . . .
C37 C -0.2011(3) 0.0989(2) -0.14698(14) 0.0443(6) Uani 1 1 d . . . . .
H37 H -0.201519 0.046008 -0.193740 0.053 Uiso 1 1 calc R U . . .
C38 C -0.3032(3) 0.1054(2) -0.10657(14) 0.0411(6) Uani 1 1 d . . . . .
H38 H -0.387360 0.055103 -0.122265 0.049 Uiso 1 1 calc R U . . .
C39 C 0.1607(3) -0.0034(3) 0.90836(19) 0.0554(7) Uani 1 1 d . . . . .
C40 C 0.9037(7) 0.7751(7) 0.5690(6) 0.070(2) Uani 0.475(4) 1 d . . P A 1
C40' C 0.8799(6) 0.7652(7) 0.6261(5) 0.0676(19) Uani 0.525(4) 1 d . . P A 2
F1 F 0.0909(3) 0.0132(3) 0.85603(18) 0.1224(11) Uani 1 1 d . . . . .
F2 F 0.1419(2) -0.12072(17) 0.89680(13) 0.0789(6) Uani 1 1 d . . . . .
F3 F 0.1172(2) 0.0371(2) 0.97093(15) 0.1035(9) Uani 1 1 d . . . . .
F4 F 0.8596(6) 0.6936(6) 0.5082(5) 0.113(3) Uani 0.475(4) 1 d . . P A 1
F5 F 1.0002(4) 0.8579(4) 0.5540(3) 0.0873(17) Uani 0.475(4) 1 d . . P A 1
F6 F 0.9548(13) 0.7317(13) 0.6164(9) 0.158(6) Uani 0.475(4) 1 d . . P A 1
F4' F 0.9076(13) 0.6903(8) 0.5676(7) 0.142(6) Uani 0.525(4) 1 d . . P A 2
F5' F 0.7937(5) 0.6985(4) 0.6540(3) 0.0924(16) Uani 0.525(4) 1 d . . P A 2
F6' F 0.9831(6) 0.8116(9) 0.6741(6) 0.137(3) Uani 0.525(4) 1 d . . P A 2
N1 N 0.4418(2) 0.8855(2) 0.55636(11) 0.0404(5) Uani 1 1 d . . . . .
N2 N 0.3161(2) 0.8352(2) 0.55803(12) 0.0410(5) Uani 1 1 d . . . . .
N3 N -0.4754(2) 0.29706(19) 0.20557(12) 0.0377(5) Uani 1 1 d . . . . .
N4 N -0.5092(2) 0.23297(19) 0.13445(12) 0.0378(5) Uani 1 1 d . . . . .
N5 N 0.6775(2) 0.8364(2) 0.38048(11) 0.0391(5) Uani 1 1 d . . . . .
N6 N 0.63823(19) 0.79757(18) 0.30753(11) 0.0344(4) Uani 1 1 d . . . . .
N7 N -0.1423(2) 0.24009(18) -0.04264(11) 0.0353(4) Uani 1 1 d . . . . .
N8 N -0.2693(2) 0.19019(18) -0.04329(11) 0.0364(4) Uani 1 1 d . . . . .
O1 O 0.3272(4) 0.1949(2) 0.92106(19) 0.1207(14) Uani 1 1 d . . . . .
O2 O 0.3874(2) 0.0432(3) 0.96771(12) 0.0792(8) Uani 1 1 d . . . . .
O3 O 0.3567(2) 0.0188(2) 0.83863(11) 0.0594(6) Uani 1 1 d . . . . .
O4 O 0.6859(5) 0.7426(5) 0.6154(3) 0.085(2) Uani 0.475(4) 1 d . . P A 1
O5 O 0.7534(6) 0.8983(7) 0.5563(3) 0.0678(16) Uani 0.475(4) 1 d . . P A 1
O6 O 0.8206(12) 0.9597(10) 0.6692(7) 0.069(2) Uani 0.475(4) 1 d . . P A 1
O4' O 0.9325(5) 0.9369(5) 0.5637(3) 0.0797(18) Uani 0.525(4) 1 d . . P A 2
O5' O 0.7150(5) 0.8241(6) 0.5576(3) 0.0775(17) Uani 0.525(4) 1 d . . P A 2
O6' O 0.8492(10) 0.9281(11) 0.6780(6) 0.083(3) Uani 0.525(4) 1 d . . P A 2
S1 S 0.32587(8) 0.07274(6) 0.90896(4) 0.05125(18) Uani 1 1 d . . . . .
S2 S 0.7831(2) 0.8431(2) 0.60982(10) 0.0415(5) Uani 0.475(4) 1 d . . P A 1
S2' S 0.8326(3) 0.8861(2) 0.60247(11) 0.0507(5) Uani 0.525(4) 1 d . . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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 0.0782 3.3823 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 '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
N5 Ag1 N1 175.26(8) . . ?
N5 Ag1 O5' 92.35(16) . . ?
N1 Ag1 O5' 86.45(16) . . ?
N5 Ag1 O5 86.85(15) . . ?
N1 Ag1 O5 90.51(15) . . ?
N4 Ag2 N8 177.59(8) . . ?
N1 C1 C2 111.3(3) . . ?
N1 C1 H1 124.4 . . ?
C2 C1 H1 124.4 . . ?
C3 C2 C1 104.8(2) . . ?
C3 C2 H2 127.6 . . ?
C1 C2 H2 127.6 . . ?
N2 C3 C2 108.4(3) . . ?
N2 C3 H3 125.8 . . ?
C2 C3 H3 125.8 . . ?
C9 C4 C5 120.7(2) . . ?
C9 C4 N2 119.9(2) . . ?
C5 C4 N2 119.4(2) . . ?
C6 C5 C4 119.2(3) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 C7 120.9(2) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C8 118.7(2) . . ?
C6 C7 C10 120.5(2) . . ?
C8 C7 C10 120.6(2) . . ?
C9 C8 C7 120.2(2) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C4 C9 C8 119.9(2) . . ?
C4 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C29 C10 C11 120.8(2) . . ?
C29 C10 C7 121.2(2) . . ?
C11 C10 C7 118.0(2) . . ?
C12 C11 C16 118.6(2) . . ?
C12 C11 C10 120.9(2) . . ?
C16 C11 C10 120.3(2) . . ?
C13 C12 C11 120.4(2) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C14 C13 C12 119.5(2) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C15 C14 C13 121.1(2) . . ?
C15 C14 N3 119.9(2) . . ?
C13 C14 N3 119.0(2) . . ?
C14 C15 C16 118.7(2) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C15 C16 C11 121.2(2) . . ?
C15 C16 H16 119.4 . . ?
C11 C16 H16 119.4 . . ?
N3 C17 C18 107.4(2) . . ?
N3 C17 H17 126.3 . . ?
C18 C17 H17 126.3 . . ?
C17 C18 C19 105.2(2) . . ?
C17 C18 H18 127.4 . . ?
C19 C18 H18 127.4 . . ?
N4 C19 C18 111.4(2) . . ?
N4 C19 H19 124.3 . . ?
C18 C19 H19 124.3 . . ?
N5 C20 C21 111.4(2) . . ?
N5 C20 H20 124.3 . . ?
C21 C20 H20 124.3 . . ?
C22 C21 C20 105.4(2) . . ?
C22 C21 H21 127.3 . . ?
C20 C21 H21 127.3 . . ?
N6 C22 C21 107.2(2) . . ?
N6 C22 H22 126.4 . . ?
C21 C22 H22 126.4 . . ?
C24 C23 C28 120.6(2) . . ?
C24 C23 N6 118.7(2) . . ?
C28 C23 N6 120.7(2) . . ?
C25 C24 C23 119.8(2) . . ?
C25 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
C24 C25 C26 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C27 C26 C25 118.7(2) . . ?
C27 C26 C29 121.4(2) . . ?
C25 C26 C29 119.7(2) . . ?
C28 C27 C26 121.2(2) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C23 118.8(2) . . ?
C27 C28 H28 120.6 . . ?
C23 C28 H28 120.6 . . ?
C10 C29 C30 121.7(2) . . ?
C10 C29 C26 120.3(2) . . ?
C30 C29 C26 117.9(2) . . ?
C31 C30 C35 118.3(2) . . ?
C31 C30 C29 120.9(2) . . ?
C35 C30 C29 120.6(2) . . ?
C32 C31 C30 121.0(2) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C33 C32 C31 119.1(2) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C32 C33 C34 120.9(2) . . ?
C32 C33 N7 119.7(2) . . ?
C34 C33 N7 119.4(2) . . ?
C35 C34 C33 119.2(2) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C30 120.9(2) . . ?
C34 C35 H35 119.6 . . ?
C30 C35 H35 119.6 . . ?
N7 C36 C37 107.6(2) . . ?
N7 C36 H36 126.2 . . ?
C37 C36 H36 126.2 . . ?
C36 C37 C38 104.8(2) . . ?
C36 C37 H37 127.6 . . ?
C38 C37 H37 127.6 . . ?
N8 C38 C37 112.0(2) . . ?
N8 C38 H38 124.0 . . ?
C37 C38 H38 124.0 . . ?
F2 C39 F1 107.5(3) . . ?
F2 C39 F3 107.7(3) . . ?
F1 C39 F3 107.7(3) . . ?
F2 C39 S1 111.5(2) . . ?
F1 C39 S1 110.6(3) . . ?
F3 C39 S1 111.6(2) . . ?
F4 C40 F6 111.7(10) . . ?
F4 C40 F5 106.5(8) . . ?
F6 C40 F5 105.3(9) . . ?
F4 C40 S2 112.2(6) . . ?
F6 C40 S2 109.7(9) . . ?
F5 C40 S2 111.2(6) . . ?
F5' C40' F6' 108.2(8) . . ?
F5' C40' F4' 105.9(7) . . ?
F6' C40' F4' 108.1(9) . . ?
F5' C40' S2' 113.8(5) . . ?
F6' C40' S2' 109.2(6) . . ?
F4' C40' S2' 111.4(8) . . ?
C1 N1 N2 105.1(2) . . ?
C1 N1 Ag1 124.58(19) . . ?
N2 N1 Ag1 128.19(16) . . ?
C3 N2 N1 110.3(2) . . ?
C3 N2 C4 129.1(2) . . ?
N1 N2 C4 120.5(2) . . ?
C17 N3 N4 111.1(2) . . ?
C17 N3 C14 127.9(2) . . ?
N4 N3 C14 120.9(2) . . ?
C19 N4 N3 104.8(2) . . ?
C19 N4 Ag2 126.23(18) . . ?
N3 N4 Ag2 128.88(16) . . ?
C20 N5 N6 105.1(2) . . ?
C20 N5 Ag1 127.42(18) . . ?
N6 N5 Ag1 125.32(16) . . ?
C22 N6 N5 111.0(2) . . ?
C22 N6 C23 128.9(2) . . ?
N5 N6 C23 120.00(19) . . ?
C36 N7 N8 110.7(2) . . ?
C36 N7 C33 127.9(2) . . ?
N8 N7 C33 121.15(19) . . ?
C38 N8 N7 104.9(2) . . ?
C38 N8 Ag2 124.20(18) . . ?
N7 N8 Ag2 129.45(15) . . ?
S2 O5 Ag1 132.9(5) . . ?
S2' O5' Ag1 141.6(5) . . ?
O1 S1 O3 114.49(17) . . ?
O1 S1 O2 116.0(2) . . ?
O3 S1 O2 113.43(16) . . ?
O1 S1 C39 103.4(2) . . ?
O3 S1 C39 104.24(14) . . ?
O2 S1 C39 103.16(16) . . ?
O4 S2 O5 114.6(5) . . ?
O4 S2 O6 122.0(6) . . ?
O5 S2 O6 93.5(5) . . ?
O4 S2 C40 103.1(4) . . ?
O5 S2 C40 101.3(4) . . ?
O6 S2 C40 120.5(6) . . ?
O6' S2' O5' 126.6(6) . . ?
O6' S2' O4' 117.3(6) . . ?
O5' S2' O4' 113.7(4) . . ?
O6' S2' C40' 79.3(5) . . ?
O5' S2' C40' 102.6(4) . . ?
O4' S2' C40' 104.6(4) . . ?
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 N5 2.156(2) . ?
Ag1 N1 2.161(2) . ?
Ag1 O5' 2.581(6) . ?
Ag1 O5 2.578(6) . ?
Ag2 N4 2.174(2) . ?
Ag2 N8 2.192(2) . ?
C1 N1 1.336(3) . ?
C1 C2 1.383(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.359(4) . ?
C2 H2 0.9500 . ?
C3 N2 1.343(4) . ?
C3 H3 0.9500 . ?
C4 C9 1.374(4) . ?
C4 C5 1.384(4) . ?
C4 N2 1.432(3) . ?
C5 C6 1.384(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.395(3) . ?
C7 C10 1.493(3) . ?
C8 C9 1.384(4) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C29 1.352(4) . ?
C10 C11 1.493(3) . ?
C11 C12 1.385(4) . ?
C11 C16 1.390(3) . ?
C12 C13 1.381(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.375(3) . ?
C14 N3 1.426(3) . ?
C15 C16 1.381(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 N3 1.349(3) . ?
C17 C18 1.370(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.384(4) . ?
C18 H18 0.9500 . ?
C19 N4 1.338(3) . ?
C19 H19 0.9500 . ?
C20 N5 1.331(3) . ?
C20 C21 1.386(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.370(4) . ?
C21 H21 0.9500 . ?
C22 N6 1.351(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(3) . ?
C23 C28 1.388(3) . ?
C23 N6 1.421(3) . ?
C24 C25 1.378(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.393(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.388(3) . ?
C26 C29 1.493(3) . ?
C27 C28 1.388(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.490(3) . ?
C30 C31 1.395(3) . ?
C30 C35 1.396(3) . ?
C31 C32 1.388(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.389(4) . ?
C33 N7 1.428(3) . ?
C34 C35 1.384(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 N7 1.357(3) . ?
C36 C37 1.370(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(4) . ?
C37 H37 0.9500 . ?
C38 N8 1.329(3) . ?
C38 H38 0.9500 . ?
C39 F2 1.318(4) . ?
C39 F1 1.321(4) . ?
C39 F3 1.321(4) . ?
C39 S1 1.800(3) . ?
C40 F4 1.289(11) . ?
C40 F6 1.324(16) . ?
C40 F5 1.340(9) . ?
C40 S2 1.820(8) . ?
C40' F5' 1.290(8) . ?
C40' F6' 1.330(11) . ?
C40' F4' 1.338(12) . ?
C40' S2' 1.803(8) . ?
N1 N2 1.357(3) . ?
N3 N4 1.359(3) . ?
N5 N6 1.363(3) . ?
N7 N8 1.362(3) . ?
O1 S1 1.410(3) . ?
O2 S1 1.450(3) . ?
O3 S1 1.424(2) . ?
O4 S2 1.412(6) . ?
O5 S2 1.417(6) . ?
O6 S2 1.500(11) . ?
O4' S2' 1.431(6) . ?
O5' S2' 1.431(6) . ?
O6' S2' 1.387(11) . ?
