#------------------------------------------------------------------------------
#$Date: 2022-07-06 11:03:28 +0300 (Wed, 06 Jul 2022) $
#$Revision: 276606 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/04/7710447.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_7710447
loop_
_publ_author_name
'Varna, Despoina'
'Geromichalou, Elena'
'Hatzidimitriou, Antonios G.'
'Papi, Rigini'
'Psomas, George'
'Dalezis, Panagiotis'
'Aslanidis, Paraskevas'
'Choli-Papadopoulou, Theodora'
'Trafalis, Dimitrios T.'
'Angaridis, Panagiotis A.'
_publ_section_title
;
 Silver(I) complexes bearing heterocyclic thioamide ligands with
 NH₂ and CF₃ substituents: effect of ligand group
 substitution on antibacterial and anticancer properties.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9412
_journal_page_last               9431
_journal_paper_doi               10.1039/d2dt00793b
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         'C80 H62 Ag2 F6 N6 O2 P4 S2'
_chemical_formula_sum            'C80 H62 Ag2 F6 N6 O2 P4 S2'
_chemical_formula_weight         1657.16
_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   difmap
_atom_sites_solution_primary     direct
_audit_update_record
;
2022-02-17 deposited with the CCDC.	2022-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                116.6650(18)
_cell_angle_beta                 96.1758(19)
_cell_angle_gamma                110.5315(18)
_cell_formula_units_Z            1
_cell_length_a                   12.2334(4)
_cell_length_b                   13.1115(5)
_cell_length_c                   14.1839(6)
_cell_measurement_reflns_used    381
_cell_measurement_temperature    295
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     1806.01(13)
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'USER DEFINED DATA REDUCTION'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Bruker Kappa Apex2'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.059
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            37478
_diffrn_reflns_theta_full        25.306
_diffrn_reflns_theta_max         25.823
_diffrn_reflns_theta_min         1.694
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.87
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
 Analytical Absorption (De Meulenaer & Tompa, 1965) 
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_refine_diff_density_max         1.61
_refine_diff_density_min         -0.87
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         4732
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.0004080
_refine_ls_shift/su_mean         0.0000138
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)] 
 where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)²]² 
 Ai are: 
 2.07 1.93 0.590 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0733
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0606
_reflns_limit_h_max              14
_reflns_limit_h_min              -14
_reflns_limit_k_max              14
_reflns_limit_k_min              -16
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                4732
_reflns_number_total             6913
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_r_factor_ref   0.0442
_oxford_refine_ls_scale          0.14679(3)
_oxford_reflns_number_all        6883
_oxford_reflns_threshold_expression_ref I>2.0\s(I)
_cod_data_source_file            d2dt00793b2.cif
_cod_data_source_block           I_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7710446--7710449.cif.'
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7710447
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ag1 Ag 0.43400(4) 0.34219(4) 0.41100(3) 0.0428 1.0000 Uani . U . . . .
P1 P 0.47209(11) 0.22308(11) 0.23169(10) 0.0400 1.0000 Uani . U . . . .
P2 P 0.26416(11) 0.19836(11) 0.44523(10) 0.0407 1.0000 Uani . U . . . .
S1 S 0.65235(11) 0.48669(11) 0.55464(10) 0.0438 1.0000 Uani . . . . . .
C1 C 0.6596(4) 0.4468(4) 0.6546(3) 0.0364 1.0000 Uani . . . . . .
C2 C 0.7355(4) 0.4416(4) 0.7960(4) 0.0388 1.0000 Uani . . . . . .
C3 C 0.8239(5) 0.4725(5) 0.8957(5) 0.0561 1.0000 Uani . . . . . .
C4 C 0.8899(5) 0.5768(6) 0.7429(5) 0.0813 1.0000 Uani . . . . . .
C5 C 0.6203(4) 0.2216(4) 0.2589(3) 0.0390 1.0000 Uani . . . . . .
C6 C 0.7239(4) 0.3384(5) 0.3188(4) 0.0555 1.0000 Uani . . . . . .
C7 C 0.8393(5) 0.3444(7) 0.3455(5) 0.0751 1.0000 Uani . . . . . .
C8 C 0.8507(6) 0.2345(8) 0.3118(5) 0.0750 1.0000 Uani . . . . . .
C9 C 0.7492(6) 0.1186(7) 0.2516(5) 0.0654 1.0000 Uani . . . . . .
C10 C 0.6333(5) 0.1111(5) 0.2249(4) 0.0490 1.0000 Uani . . . . . .
C11 C 0.4730(4) 0.2636(4) 0.1249(3) 0.0332 1.0000 Uani . . . . . .
C12 C 0.4098(4) 0.3301(4) 0.1181(4) 0.0446 1.0000 Uani . . . . . .
C13 C 0.4024(5) 0.3554(5) 0.0333(5) 0.0614 1.0000 Uani . . . . . .
C14 C 0.4591(5) 0.3162(5) -0.0447(4) 0.0562 1.0000 Uani . . . . . .
C15 C 0.5240(5) 0.2518(5) -0.0379(4) 0.0526 1.0000 Uani . . . . . .
C16 C 0.5311(4) 0.2263(4) 0.0454(4) 0.0455 1.0000 Uani . . . . . .
C17 C 0.3594(4) 0.0550(4) 0.1527(3) 0.0327 1.0000 Uani . . . . . .
C18 C 0.2957(4) -0.0114(4) 0.0401(4) 0.0417 1.0000 Uani . . . . . .
C19 C 0.2034(4) -0.1348(4) -0.0134(4) 0.0494 1.0000 Uani . . . . . .
C20 C 0.1719(4) -0.1929(5) 0.0446(4) 0.0523 1.0000 Uani . . . . . .
C21 C 0.2305(4) -0.1308(4) 0.1573(4) 0.0450 1.0000 Uani . . . . . .
C22 C 0.3262(4) -0.0083(4) 0.2104(3) 0.0339 1.0000 Uani . . . . . .
C23 C 0.3501(4) 0.0162(4) 0.3902(3) 0.0352 1.0000 Uani . . . . . .
C24 C 0.3712(4) -0.0791(4) 0.3908(4) 0.0477 1.0000 Uani . . . . . .
C25 C 0.3343(5) -0.1165(5) 0.4629(5) 0.0588 1.0000 Uani . . . . . .
C26 C 0.2791(5) -0.0578(5) 0.5334(4) 0.0625 1.0000 Uani . . . . . .
C27 C 0.2586(5) 0.0387(5) 0.5319(4) 0.0539 1.0000 Uani . . . . . .
C28 C 0.2931(4) 0.0773(4) 0.4593(3) 0.0375 1.0000 Uani . . . . . .
C29 C 0.1262(4) 0.0957(4) 0.3239(4) 0.0397 1.0000 Uani . . . . . .
C30 C 0.0337(5) -0.0167(5) 0.3047(4) 0.0563 1.0000 Uani . . . . . .
C31 C -0.0667(5) -0.0929(5) 0.2096(5) 0.0692 1.0000 Uani . . . . . .
C32 C -0.0759(5) -0.0590(6) 0.1317(5) 0.0698 1.0000 Uani . . . . . .
C33 C 0.0135(5) 0.0507(6) 0.1488(4) 0.0632 1.0000 Uani . . . . . .
C34 C 0.1149(5) 0.1282(5) 0.2441(4) 0.0504 1.0000 Uani . . . . . .
C35 C 0.2074(4) 0.2671(4) 0.5611(4) 0.0413 1.0000 Uani . . . . . .
C36 C 0.0868(5) 0.2454(5) 0.5484(4) 0.0616 1.0000 Uani . . . . . .
C37 C 0.0516(5) 0.3052(6) 0.6393(5) 0.0729 1.0000 Uani . . . . . .
C38 C 0.1363(5) 0.3847(5) 0.7429(5) 0.0669 1.0000 Uani . . . . . .
C39 C 0.2563(5) 0.4080(5) 0.7566(4) 0.0621 1.0000 Uani . . . . . .
C40 C 0.2921(5) 0.3499(5) 0.6662(4) 0.0556 1.0000 Uani . . . . . .
O1 O 0.3923(3) 0.0603(3) 0.3211(2) 0.0393 1.0000 Uani . . . . . .
F1 F 0.9131(3) 0.4405(4) 0.8734(3) 0.0923 1.0000 Uani . . . . . .
F2 F 0.8796(3) 0.5974(3) 0.9719(3) 0.0857 1.0000 Uani . . . . . .
F3 F 0.7700(3) 0.4150(3) 0.9455(3) 0.0845 1.0000 Uani . . . . . .
N1 N 0.7684(3) 0.4949(3) 0.7346(3) 0.0398 1.0000 Uani . . . . . .
N2 N 0.5698(3) 0.3693(3) 0.6696(3) 0.0455 1.0000 Uani . . . . . .
N3 N 0.6195(3) 0.3682(4) 0.7614(3) 0.0487 1.0000 Uani . . . . . .
H41 H 0.9160 0.6616 0.8043 0.1223 1.0000 Uiso R . . . . .
H42 H 0.9475 0.5465 0.7547 0.1218 1.0000 Uiso R . . . . .
H43 H 0.8873 0.5793 0.6768 0.1221 1.0000 Uiso R . . . . .
H61 H 0.7168 0.4135 0.3411 0.0668 1.0000 Uiso R . . . . .
H71 H 0.9087 0.4230 0.3864 0.0900 1.0000 Uiso R . . . . .
H81 H 0.9285 0.2387 0.3314 0.0900 1.0000 Uiso R . . . . .
H91 H 0.7577 0.0445 0.2287 0.0788 1.0000 Uiso R . . . . .
H101 H 0.5643 0.0327 0.1836 0.0584 1.0000 Uiso R . . . . .
H121 H 0.3725 0.3580 0.1716 0.0528 1.0000 Uiso R . . . . .
H131 H 0.3588 0.3992 0.0294 0.0739 1.0000 Uiso R . . . . .
H141 H 0.4532 0.3328 -0.1022 0.0669 1.0000 Uiso R . . . . .
H151 H 0.5626 0.2247 -0.0902 0.0632 1.0000 Uiso R . . . . .
H161 H 0.5746 0.1824 0.0487 0.0550 1.0000 Uiso R . . . . .
H181 H 0.3173 0.0283 -0.0001 0.0498 1.0000 Uiso R . . . . .
H191 H 0.1625 -0.1781 -0.0898 0.0588 1.0000 Uiso R . . . . .
H201 H 0.1099 -0.2753 0.0093 0.0630 1.0000 Uiso R . . . . .
H211 H 0.2072 -0.1695 0.1966 0.0538 1.0000 Uiso R . . . . .
H241 H 0.4087 -0.1185 0.3433 0.0570 1.0000 Uiso R . . . . .
H251 H 0.3482 -0.1813 0.4647 0.0708 1.0000 Uiso R . . . . .
H261 H 0.2556 -0.0818 0.5832 0.0753 1.0000 Uiso R . . . . .
H271 H 0.2209 0.0781 0.5801 0.0647 1.0000 Uiso R . . . . .
H301 H 0.0403 -0.0401 0.3569 0.0679 1.0000 Uiso R . . . . .
H311 H -0.1281 -0.1664 0.1981 0.0829 1.0000 Uiso R . . . . .
H321 H -0.1436 -0.1110 0.0667 0.0837 1.0000 Uiso R . . . . .
H331 H 0.0070 0.0748 0.0973 0.0761 1.0000 Uiso R . . . . .
H341 H 0.1757 0.2038 0.2548 0.0598 1.0000 Uiso R . . . . .
H361 H 0.0287 0.1901 0.4779 0.0741 1.0000 Uiso R . . . . .
H371 H -0.0294 0.2913 0.6301 0.0869 1.0000 Uiso R . . . . .
H381 H 0.1125 0.4234 0.8039 0.0797 1.0000 Uiso R . . . . .
H391 H 0.3137 0.4623 0.8266 0.0747 1.0000 Uiso R . . . . .
H401 H 0.3738 0.3664 0.6765 0.0671 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476 0.2776
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645 1.1149
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
S 0.1246 0.1234 6.9053 1.4679 5.2034 22.2151 1.4379 0.2536 1.5863 56.1720 0.8669
'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag -0.8971 1.1015 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
S1 2_666 Ag1 . P1 . 122.21(4) yes
S1 2_666 Ag1 . P2 . 96.57(4) yes
P1 . Ag1 . P2 . 113.07(4) yes
S1 2_666 Ag1 . S1 . 101.25(4) yes
P1 . Ag1 . S1 . 103.54(4) yes
P2 . Ag1 . S1 . 120.89(4) yes
Ag1 . P1 . C5 . 110.65(14) yes
Ag1 . P1 . C11 . 124.26(14) yes
C5 . P1 . C11 . 102.62(19) yes
Ag1 . P1 . C17 . 110.82(13) yes
C5 . P1 . C17 . 104.8(2) yes
C11 . P1 . C17 . 101.79(19) yes
Ag1 . P2 . C28 . 115.22(14) yes
Ag1 . P2 . C29 . 111.01(15) yes
C28 . P2 . C29 . 100.0(2) yes
Ag1 . P2 . C35 . 120.30(15) yes
C28 . P2 . C35 . 103.9(2) yes
C29 . P2 . C35 . 103.9(2) yes
Ag1 2_666 S1 . Ag1 . 78.75(4) yes
Ag1 2_666 S1 . C1 . 115.65(14) yes
Ag1 . S1 . C1 . 108.48(15) yes
S1 . C1 . N1 . 122.5(3) yes
S1 . C1 . N2 . 128.9(4) yes
N1 . C1 . N2 . 108.6(4) yes
C3 . C2 . N1 . 122.7(4) yes
C3 . C2 . N3 . 124.7(4) yes
N1 . C2 . N3 . 112.5(4) yes
C2 . C3 . F1 . 113.0(5) yes
C2 . C3 . F2 . 112.2(4) yes
F1 . C3 . F2 . 105.8(4) yes
C2 . C3 . F3 . 112.0(4) yes
F1 . C3 . F3 . 107.3(4) yes
F2 . C3 . F3 . 106.2(5) yes
N1 . C4 . H41 . 108.8 no
N1 . C4 . H42 . 110.5 no
H41 . C4 . H42 . 109.2 no
N1 . C4 . H43 . 110.1 no
H41 . C4 . H43 . 108.7 no
H42 . C4 . H43 . 109.5 no
P1 . C5 . C6 . 117.3(4) yes
P1 . C5 . C10 . 123.5(4) yes
C6 . C5 . C10 . 119.2(5) yes
C5 . C6 . C7 . 120.3(5) yes
C5 . C6 . H61 . 120.2 no
C7 . C6 . H61 . 119.5 no
C6 . C7 . C8 . 119.9(6) yes
C6 . C7 . H71 . 120.2 no
C8 . C7 . H71 . 119.9 no
C7 . C8 . C9 . 120.4(6) yes
C7 . C8 . H81 . 119.8 no
C9 . C8 . H81 . 119.8 no
C8 . C9 . C10 . 120.5(6) yes
C8 . C9 . H91 . 119.9 no
C10 . C9 . H91 . 119.6 no
C9 . C10 . C5 . 119.8(5) yes
C9 . C10 . H101 . 120.8 no
C5 . C10 . H101 . 119.4 no
P1 . C11 . C12 . 119.5(3) yes
P1 . C11 . C16 . 123.1(3) yes
C12 . C11 . C16 . 117.4(4) yes
C11 . C12 . C13 . 120.8(4) yes
C11 . C12 . H121 . 118.7 no
C13 . C12 . H121 . 120.5 no
C12 . C13 . C14 . 120.6(5) yes
C12 . C13 . H131 . 119.6 no
C14 . C13 . H131 . 119.7 no
C13 . C14 . C15 . 119.3(5) yes
C13 . C14 . H141 . 120.3 no
C15 . C14 . H141 . 120.4 no
C14 . C15 . C16 . 120.3(5) yes
C14 . C15 . H151 . 120.0 no
C16 . C15 . H151 . 119.7 no
C11 . C16 . C15 . 121.7(5) yes
C11 . C16 . H161 . 118.9 no
C15 . C16 . H161 . 119.4 no
P1 . C17 . C18 . 123.8(3) yes
P1 . C17 . C22 . 118.5(3) yes
C18 . C17 . C22 . 117.4(4) yes
C17 . C18 . C19 . 121.5(4) yes
C17 . C18 . H181 . 118.8 no
C19 . C18 . H181 . 119.7 no
C18 . C19 . C20 . 119.9(4) yes
C18 . C19 . H191 . 119.8 no
C20 . C19 . H191 . 120.2 no
C19 . C20 . C21 . 121.2(4) yes
C19 . C20 . H201 . 120.2 no
C21 . C20 . H201 . 118.6 no
C20 . C21 . C22 . 118.9(4) yes
C20 . C21 . H211 . 120.9 no
C22 . C21 . H211 . 120.2 no
C17 . C22 . C21 . 121.0(4) yes
C17 . C22 . O1 . 115.5(4) yes
C21 . C22 . O1 . 123.5(4) yes
C24 . C23 . C28 . 123.1(4) yes
C24 . C23 . O1 . 119.7(4) yes
C28 . C23 . O1 . 117.2(4) yes
C23 . C24 . C25 . 118.6(5) yes
C23 . C24 . H241 . 121.0 no
C25 . C24 . H241 . 120.4 no
C24 . C25 . C26 . 120.3(5) yes
C24 . C25 . H251 . 119.9 no
C26 . C25 . H251 . 119.8 no
C25 . C26 . C27 . 120.4(5) yes
C25 . C26 . H261 . 120.3 no
C27 . C26 . H261 . 119.3 no
C26 . C27 . C28 . 120.8(5) yes
C26 . C27 . H271 . 119.9 no
C28 . C27 . H271 . 119.4 no
P2 . C28 . C23 . 118.4(3) yes
P2 . C28 . C27 . 124.6(4) yes
C23 . C28 . C27 . 116.9(4) yes
P2 . C29 . C30 . 123.4(4) yes
P2 . C29 . C34 . 118.5(4) yes
C30 . C29 . C34 . 118.0(4) yes
C29 . C30 . C31 . 121.0(5) yes
C29 . C30 . H301 . 119.0 no
C31 . C30 . H301 . 120.0 no
C30 . C31 . C32 . 120.1(5) yes
C30 . C31 . H311 . 120.4 no
C32 . C31 . H311 . 119.4 no
C31 . C32 . C33 . 120.0(5) yes
C31 . C32 . H321 . 120.3 no
C33 . C32 . H321 . 119.8 no
C32 . C33 . C34 . 120.5(5) yes
C32 . C33 . H331 . 120.4 no
C34 . C33 . H331 . 119.2 no
C29 . C34 . C33 . 120.5(5) yes
C29 . C34 . H341 . 120.0 no
C33 . C34 . H341 . 119.5 no
P2 . C35 . C36 . 123.8(4) yes
P2 . C35 . C40 . 117.6(3) yes
C36 . C35 . C40 . 118.5(4) yes
C35 . C36 . C37 . 120.6(5) yes
C35 . C36 . H361 . 119.5 no
C37 . C36 . H361 . 120.0 no
C36 . C37 . C38 . 120.0(5) yes
C36 . C37 . H371 . 120.2 no
C38 . C37 . H371 . 119.9 no
C37 . C38 . C39 . 120.1(5) yes
C37 . C38 . H381 . 120.0 no
C39 . C38 . H381 . 119.9 no
C38 . C39 . C40 . 120.1(5) yes
C38 . C39 . H391 . 120.1 no
C40 . C39 . H391 . 119.8 no
C35 . C40 . C39 . 120.6(5) yes
C35 . C40 . H401 . 119.9 no
C39 . C40 . H401 . 119.4 no
C23 . O1 . C22 . 119.4(3) yes
C4 . N1 . C1 . 126.1(4) yes
C4 . N1 . C2 . 129.4(4) yes
C1 . N1 . C2 . 104.4(3) yes
C1 . N2 . N3 . 108.1(4) yes
N2 . N3 . C2 . 106.3(4) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 . S1 2_666 2.6795(13) yes
Ag1 . P1 . 2.5150(12) yes
Ag1 . P2 . 2.5297(12) yes
Ag1 . S1 . 2.5865(13) yes
P1 . C5 . 1.821(5) yes
P1 . C11 . 1.816(4) yes
P1 . C17 . 1.826(4) yes
P2 . C28 . 1.829(4) yes
P2 . C29 . 1.823(4) yes
P2 . C35 . 1.831(4) yes
S1 . C1 . 1.721(5) yes
C1 . N1 . 1.379(5) yes
C1 . N2 . 1.321(5) yes
C2 . C3 . 1.478(7) yes
C2 . N1 . 1.353(5) yes
C2 . N3 . 1.284(5) yes
C3 . F1 . 1.321(6) yes
C3 . F2 . 1.336(6) yes
C3 . F3 . 1.316(6) yes
C4 . N1 . 1.452(5) yes
C4 . H41 . 0.958 no
C4 . H42 . 0.956 no
C4 . H43 . 0.951 no
C5 . C6 . 1.384(6) yes
C5 . C10 . 1.381(6) yes
C6 . C7 . 1.386(7) yes
C6 . H61 . 0.929 no
C7 . C8 . 1.364(8) yes
C7 . H71 . 0.929 no
C8 . C9 . 1.365(8) yes
C8 . H81 . 0.937 no
C9 . C10 . 1.385(7) yes
C9 . H91 . 0.925 no
C10 . H101 . 0.926 no
C11 . C12 . 1.379(6) yes
C11 . C16 . 1.391(6) yes
C12 . C13 . 1.386(6) yes
C12 . H121 . 0.927 no
C13 . C14 . 1.368(7) yes
C13 . H131 . 0.926 no
C14 . C15 . 1.370(7) yes
C14 . H141 . 0.936 no
C15 . C16 . 1.367(6) yes
C15 . H151 . 0.926 no
C16 . H161 . 0.923 no
C17 . C18 . 1.387(6) yes
C17 . C22 . 1.402(6) yes
C18 . C19 . 1.379(6) yes
C18 . H181 . 0.931 no
C19 . C20 . 1.353(6) yes
C19 . H191 . 0.938 no
C20 . C21 . 1.381(6) yes
C20 . H201 . 0.923 no
C21 . C22 . 1.387(6) yes
C21 . H211 . 0.915 no
C22 . O1 . 1.371(5) yes
C23 . C24 . 1.364(6) yes
C23 . C28 . 1.386(6) yes
C23 . O1 . 1.403(5) yes
C24 . C25 . 1.373(7) yes
C24 . H241 . 0.924 no
C25 . C26 . 1.366(7) yes
C25 . H251 . 0.934 no
C26 . C27 . 1.382(7) yes
C26 . H261 . 0.927 no
C27 . C28 . 1.381(6) yes
C27 . H271 . 0.930 no
C29 . C30 . 1.389(6) yes
C29 . C34 . 1.387(6) yes
C30 . C31 . 1.378(7) yes
C30 . H301 . 0.927 no
C31 . C32 . 1.371(8) yes
C31 . H311 . 0.919 no
C32 . C33 . 1.361(8) yes
C32 . H321 . 0.935 no
C33 . C34 . 1.386(7) yes
C33 . H331 . 0.922 no
C34 . H341 . 0.938 no
C35 . C36 . 1.375(6) yes
C35 . C40 . 1.378(6) yes
C36 . C37 . 1.382(7) yes
C36 . H361 . 0.931 no
C37 . C38 . 1.364(7) yes
C37 . H371 . 0.925 no
C38 . C39 . 1.362(7) yes
C38 . H381 . 0.924 no
C39 . C40 . 1.376(6) yes
C39 . H391 . 0.922 no
C40 . H401 . 0.925 no
N2 . N3 . 1.385(5) yes
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_site_symmetry_D
_geom_hbond_atom_site_label_H
_geom_hbond_site_symmetry_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C26 . H261 . C9 2_656 165 0.93 2.60 3.504(8) yes
C40 . H401 . N2 . 169 0.93 2.40 3.310(8) yes
