#------------------------------------------------------------------------------
#$Date: 2022-07-06 11:03:28 +0300 (Wed, 06 Jul 2022) $
#$Revision: 276606 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/04/7710446.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_7710446
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         'C169 H150 Ag4 Cl14 N12 O4 P8 S8'
_chemical_formula_sum            'C169 H150 Ag4 Cl14 N12 O4 P8 S8'
_chemical_formula_weight         3845.25
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_update_record
;
2022-02-17 deposited with the CCDC.	2022-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.416(5)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.9134(19)
_cell_length_b                   17.617(3)
_cell_length_c                   23.058(4)
_cell_measurement_reflns_used    219
_cell_measurement_temperature    295
_cell_measurement_theta_max      20
_cell_measurement_theta_min      10
_cell_volume                     4809.1(14)
_computing_cell_refinement       'Apex2 (Bruker AXS, 2006)'
_computing_data_collection       'Apex2 (Bruker AXS, 2006)'
_computing_data_reduction        'Apex2 (Bruker AXS, 2006)'
_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    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.026
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            52787
_diffrn_reflns_theta_full        25.722
_diffrn_reflns_theta_max         25.722
_diffrn_reflns_theta_min         1.458
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.800
_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    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1954
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.160
_refine_diff_density_max         1.54
_refine_diff_density_min         -2.13
_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     493
_refine_ls_number_reflns         5798
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0498
_refine_ls_shift/su_max          0.0008430
_refine_ls_shift/su_mean         0.0000266
_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: 
 5.15 6.88 2.37 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1283
_refine_ls_wR_factor_gt          0.1234
_refine_ls_wR_factor_ref         0.1234
_reflns_limit_h_max              14
_reflns_limit_h_min              -14
_reflns_limit_k_max              21
_reflns_limit_k_min              0
_reflns_limit_l_max              28
_reflns_limit_l_min              0
_reflns_number_gt                5798
_reflns_number_total             9153
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   3.34
_oxford_diffrn_Wilson_scale      549.94
_oxford_refine_ls_r_factor_ref   0.0498
_oxford_refine_ls_scale          0.07887(2)
_oxford_reflns_number_all        9119
_oxford_reflns_threshold_expression_ref I>2.0\s(I)
_cod_data_source_file            d2dt00793b2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_atom_sites_solution_primary' value 'Other' was changed to
'other' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7710446--7710449.cif.
;
_cod_original_cell_volume        4809.3(13)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_database_code               7710446
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x,-y+1/2,z+1/2
-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_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 0.17984(3) 0.44865(2) 0.181200(18) 0.0441 1.0000 Uani . . . . . .
P1 P 0.15297(11) 0.30884(7) 0.19746(6) 0.0420 1.0000 Uani . . . . . .
P2 P 0.29739(10) 0.47156(7) 0.10158(6) 0.0376 1.0000 Uani . . . . . .
S1 S -0.03056(11) 0.49773(9) 0.17942(6) 0.0537 1.0000 Uani . . . . . .
S2 S -0.16140(13) 0.46256(11) 0.28144(7) 0.0641 1.0000 Uani . . . . . .
Cl1 Cl 0.27593(11) 0.52600(9) 0.26987(6) 0.0547 1.0000 Uani . . . . . .
Cl2 Cl 0.2748(5) 0.5512(3) 0.4514(2) 0.1095(14) 0.5000 Uiso D . . . 1 .
Cl3 Cl 0.3155(4) 0.4258(3) 0.4949(2) 0.1077(15) 0.5000 Uiso D . . . 1 .
Cl4 Cl 0.0945(4) 0.4780(3) 0.4861(2) 0.0963(12) 0.5000 Uiso D . . . 1 .
Cl5 Cl 0.6534(4) 0.3931(3) 0.3783(2) 0.1000(13) 0.5000 Uiso D . . . . .
Cl6 Cl 0.4329(4) 0.3655(3) 0.3359(2) 0.0970(12) 0.5000 Uiso D U . . . .
N1 N 0.0315(4) 0.5163(3) 0.2937(2) 0.0607 1.0000 Uani . . . . . .
N2 N 0.0074(4) 0.5089(3) 0.3503(2) 0.0637 1.0000 Uani . . . . . .
N3 N -0.1386(5) 0.4665(4) 0.3995(2) 0.0742 1.0000 Uani . . . . . .
C1 C -0.0427(5) 0.4948(4) 0.2513(3) 0.0548 1.0000 Uani . . . . . .
C2 C -0.0914(5) 0.4822(4) 0.3515(3) 0.0663 1.0000 Uani . . . . . .
C3 C 0.0769(5) 0.2668(3) 0.1340(3) 0.0507 1.0000 Uani . . . . . .
C4 C 0.1014(6) 0.1969(4) 0.1106(3) 0.0650 1.0000 Uani . . . . . .
C5 C 0.0377(6) 0.1715(4) 0.0598(3) 0.0732 1.0000 Uani . . . . . .
C6 C -0.0525(6) 0.2114(4) 0.0325(3) 0.0695 1.0000 Uani . . . . . .
C7 C -0.0786(6) 0.2803(4) 0.0576(3) 0.0701 1.0000 Uani . . . . . .
C8 C -0.0123(5) 0.3094(4) 0.1049(3) 0.0605 1.0000 Uani . . . . . .
C9 C 0.0722(4) 0.2833(3) 0.2575(2) 0.0445 1.0000 Uani . . . . . .
C10 C -0.0069(4) 0.2229(3) 0.2530(3) 0.0501 1.0000 Uani . . . . . .
C11 C -0.0642(4) 0.2084(3) 0.3016(3) 0.0503 1.0000 Uani . . . . . .
C12 C -0.0459(5) 0.2493(3) 0.3503(3) 0.0548 1.0000 Uani . . . . . .
C13 C 0.0317(5) 0.3072(3) 0.3539(3) 0.0523 1.0000 Uani . . . . . .
C14 C 0.0895(5) 0.3254(3) 0.3081(2) 0.0480 1.0000 Uani . . . . . .
C15 C 0.2778(4) 0.2501(3) 0.2136(2) 0.0427 1.0000 Uani . . . . . .
C16 C 0.2855(5) 0.1904(3) 0.2544(2) 0.0474 1.0000 Uani . . . . . .
C17 C 0.3848(5) 0.1535(3) 0.2685(2) 0.0503 1.0000 Uani . . . . . .
C18 C 0.4820(4) 0.1728(3) 0.2448(2) 0.0463 1.0000 Uani . . . . . .
C19 C 0.4787(4) 0.2305(3) 0.2026(2) 0.0433 1.0000 Uani . . . . . .
C20 C 0.3775(4) 0.2661(3) 0.1878(2) 0.0403 1.0000 Uani . . . . . .
C21 C 0.5799(4) 0.2543(3) 0.1731(3) 0.0468 1.0000 Uani . . . . . .
C22 C 0.5795(5) 0.2057(3) 0.1171(3) 0.0593 1.0000 Uani . . . . . .
C23 C 0.6934(5) 0.2404(4) 0.2120(3) 0.0612 1.0000 Uani . . . . . .
C24 C 0.4606(4) 0.3670(3) 0.1412(2) 0.0385 1.0000 Uani . . . . . .
C25 C 0.5690(4) 0.3355(3) 0.1552(2) 0.0416 1.0000 Uani . . . . . .
C26 C 0.6435(4) 0.4567(3) 0.1314(2) 0.0438 1.0000 Uani . . . . . .
C27 C 0.5346(4) 0.4853(3) 0.1162(2) 0.0387 1.0000 Uani . . . . . .
C28 C 0.4428(4) 0.4404(3) 0.1199(2) 0.0382 1.0000 Uani . . . . . .
C29 C 0.2552(4) 0.4237(3) 0.0329(2) 0.0423 1.0000 Uani . . . . . .
C30 C 0.3312(5) 0.3877(3) 0.0006(3) 0.0510 1.0000 Uani . . . . . .
C31 C 0.2962(6) 0.3548(3) -0.0535(3) 0.0575 1.0000 Uani . . . . . .
C32 C 0.1840(5) 0.3577(4) -0.0752(3) 0.0602 1.0000 Uani . . . . . .
C33 C 0.1084(5) 0.3947(4) -0.0434(3) 0.0646 1.0000 Uani . . . . . .
C34 C 0.1431(5) 0.4265(3) 0.0108(3) 0.0540 1.0000 Uani . . . . . .
C35 C 0.3166(4) 0.5698(3) 0.0796(2) 0.0387 1.0000 Uani . . . . . .
C36 C 0.3461(5) 0.5908(3) 0.0238(2) 0.0460 1.0000 Uani . . . . . .
C37 C 0.3644(5) 0.6648(3) 0.0113(2) 0.0488 1.0000 Uani . . . . . .
C38 C 0.3551(4) 0.7195(3) 0.0522(2) 0.0467 1.0000 Uani . . . . . .
C39 C 0.3281(5) 0.7034(3) 0.1078(2) 0.0494 1.0000 Uani . . . . . .
C40 C 0.3106(4) 0.6258(3) 0.1205(2) 0.0444 1.0000 Uani . . . . . .
C41 C 0.2084(5) 0.4644(3) 0.4500(3) 0.0719 0.7500 Uani D . . . 1 .
C42 C 0.5264(6) 0.4339(4) 0.3601(7) 0.086(2) 0.5000 Uiso D U . . . .
C43 C 0.6602(4) 0.3848(3) 0.1499(2) 0.0432 1.0000 Uani . . . . . .
O1 O 0.3676(3) 0.32392(19) 0.14647(15) 0.0397 1.0000 Uani . . . . . .
H11 H 0.0948 0.5356 0.2865 0.0720 1.0000 Uiso R . . . . .
H31 H -0.2060 0.4485 0.3979 0.0937 1.0000 Uiso R . . . . .
H32 H -0.1004 0.4751 0.4327 0.0937 1.0000 Uiso R . . . . .
H41 H 0.1595 0.1670 0.1297 0.0801 1.0000 Uiso R . . . . .
H51 H 0.0569 0.1258 0.0432 0.0929 1.0000 Uiso R . . . . .
H61 H -0.0940 0.1933 -0.0015 0.0850 1.0000 Uiso R . . . . .
H71 H -0.1411 0.3073 0.0412 0.0891 1.0000 Uiso R . . . . .
H81 H -0.0289 0.3573 0.1187 0.0739 1.0000 Uiso R . . . . .
H101 H -0.0202 0.1939 0.2190 0.0590 1.0000 Uiso R . . . . .
H111 H -0.1173 0.1695 0.2997 0.0619 1.0000 Uiso R . . . . .
H121 H -0.0854 0.2379 0.3819 0.0681 1.0000 Uiso R . . . . .
H131 H 0.0458 0.3351 0.3887 0.0649 1.0000 Uiso R . . . . .
H141 H 0.1401 0.3658 0.3113 0.0592 1.0000 Uiso R . . . . .
H161 H 0.2218 0.1760 0.2718 0.0572 1.0000 Uiso R . . . . .
H171 H 0.3869 0.1134 0.2944 0.0620 1.0000 Uiso R . . . . .
H181 H 0.5502 0.1485 0.2570 0.0570 1.0000 Uiso R . . . . .
H221 H 0.5848 0.1536 0.1278 0.0748 1.0000 Uiso R . . . . .
H222 H 0.5116 0.2141 0.0922 0.0748 1.0000 Uiso R . . . . .
H223 H 0.6423 0.2192 0.0973 0.0748 1.0000 Uiso R . . . . .
H231 H 0.7004 0.1878 0.2207 0.0768 1.0000 Uiso R . . . . .
H232 H 0.7549 0.2561 0.1920 0.0768 1.0000 Uiso R . . . . .
H233 H 0.6938 0.2684 0.2472 0.0768 1.0000 Uiso R . . . . .
H261 H 0.7053 0.4882 0.1282 0.0517 1.0000 Uiso R . . . . .
H271 H 0.5244 0.5350 0.1032 0.0460 1.0000 Uiso R . . . . .
H301 H 0.4074 0.3851 0.0155 0.0611 1.0000 Uiso R . . . . .
H311 H 0.3477 0.3310 -0.0748 0.0699 1.0000 Uiso R . . . . .
H321 H 0.1582 0.3354 -0.1113 0.0739 1.0000 Uiso R . . . . .
H331 H 0.0329 0.3984 -0.0587 0.0809 1.0000 Uiso R . . . . .
H341 H 0.0906 0.4488 0.0322 0.0671 1.0000 Uiso R . . . . .
H361 H 0.3504 0.5538 -0.0044 0.0551 1.0000 Uiso R . . . . .
H371 H 0.3838 0.6781 -0.0255 0.0591 1.0000 Uiso R . . . . .
H381 H 0.3687 0.7698 0.0428 0.0572 1.0000 Uiso R . . . . .
H391 H 0.3233 0.7410 0.1356 0.0602 1.0000 Uiso R . . . . .
H401 H 0.2944 0.6125 0.1574 0.0540 1.0000 Uiso R . . . . .
H411 H 0.1724 0.4118 0.4426 0.0620 0.7500 Uiso R . . . 1 .
H412 H 0.1727 0.4946 0.4235 0.0616 0.7500 Uiso R . . . 1 .
H421 H 0.5019 0.4603 0.3924 0.1308 0.5000 Uiso R . . . . .
H422 H 0.5329 0.4686 0.3291 0.1308 0.5000 Uiso R . . . . .
H431 H 0.7333 0.3673 0.1592 0.0509 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'
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'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 '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
P1 . Ag1 . P2 . 111.32(5) yes
P1 . Ag1 . S1 . 100.72(5) yes
P2 . Ag1 . S1 . 123.44(5) yes
P1 . Ag1 . Cl1 . 116.47(5) yes
P2 . Ag1 . Cl1 . 105.18(5) yes
S1 . Ag1 . Cl1 . 99.97(5) yes
Ag1 . P1 . C3 . 110.13(19) yes
Ag1 . P1 . C9 . 116.10(18) yes
C3 . P1 . C9 . 104.8(3) yes
Ag1 . P1 . C15 . 118.25(17) yes
C3 . P1 . C15 . 105.0(3) yes
C9 . P1 . C15 . 101.1(2) yes
Ag1 . P2 . C28 . 112.52(16) yes
Ag1 . P2 . C29 . 116.68(17) yes
C28 . P2 . C29 . 103.1(2) yes
Ag1 . P2 . C35 . 117.48(16) yes
C28 . P2 . C35 . 101.8(2) yes
C29 . P2 . C35 . 103.3(2) yes
Ag1 . S1 . C1 . 99.2(2) yes
C1 . S2 . C2 . 88.9(3) yes
Cl3 . Cl2 . C41 . 43.6(2) yes
Cl3 . Cl2 . H412 . 73.6 no
C41 . Cl2 . H412 . 30.3 no
Cl2 . Cl3 . C41 . 44.5(2) yes
N2 . N1 . C1 . 119.4(5) yes
N2 . N1 . H11 . 120.2 no
C1 . N1 . H11 . 120.4 no
N1 . N2 . C2 . 110.4(5) yes
C2 . N3 . H31 . 121.6 no
C2 . N3 . H32 . 118.4 no
H31 . N3 . H32 . 120.0 no
S2 . C1 . S1 . 124.6(4) yes
S2 . C1 . N1 . 108.0(4) yes
S1 . C1 . N1 . 127.4(5) yes
S2 . C2 . N3 . 121.4(5) yes
S2 . C2 . N2 . 113.4(5) yes
N3 . C2 . N2 . 125.2(6) yes
P1 . C3 . C4 . 125.1(5) yes
P1 . C3 . C8 . 117.0(4) yes
C4 . C3 . C8 . 117.8(6) yes
C3 . C4 . C5 . 119.5(6) yes
C3 . C4 . H41 . 119.4 no
C5 . C4 . H41 . 121.0 no
C4 . C5 . C6 . 122.9(7) yes
C4 . C5 . H51 . 119.0 no
C6 . C5 . H51 . 118.0 no
C5 . C6 . C7 . 116.9(6) yes
C5 . C6 . H61 . 121.4 no
C7 . C6 . H61 . 121.7 no
C6 . C7 . C8 . 121.4(6) yes
C6 . C7 . H71 . 118.8 no
C8 . C7 . H71 . 119.8 no
C3 . C8 . C7 . 121.0(6) yes
C3 . C8 . H81 . 119.9 no
C7 . C8 . H81 . 119.1 no
P1 . C9 . C10 . 122.1(4) yes
P1 . C9 . C14 . 117.9(4) yes
C10 . C9 . C14 . 120.0(5) yes
C9 . C10 . C11 . 117.3(6) yes
C9 . C10 . H101 . 121.4 no
C11 . C10 . H101 . 121.3 no
C10 . C11 . C12 . 121.9(5) yes
C10 . C11 . H111 . 119.0 no
C12 . C11 . H111 . 119.1 no
C11 . C12 . C13 . 119.9(5) yes
C11 . C12 . H121 . 119.5 no
C13 . C12 . H121 . 120.6 no
C12 . C13 . C14 . 121.6(6) yes
C12 . C13 . H131 . 119.6 no
C14 . C13 . H131 . 118.8 no
C9 . C14 . C13 . 119.3(5) yes
C9 . C14 . H141 . 120.7 no
C13 . C14 . H141 . 120.0 no
P1 . C15 . C16 . 123.6(4) yes
P1 . C15 . C20 . 120.4(4) yes
C16 . C15 . C20 . 115.9(5) yes
C15 . C16 . C17 . 120.5(5) yes
C15 . C16 . H161 . 119.7 no
C17 . C16 . H161 . 119.8 no
C16 . C17 . C18 . 122.4(5) yes
C16 . C17 . H171 . 118.7 no
C18 . C17 . H171 . 118.9 no
C17 . C18 . C19 . 119.6(5) yes
C17 . C18 . H181 . 120.6 no
C19 . C18 . H181 . 119.8 no
C18 . C19 . C20 . 117.4(5) yes
C18 . C19 . C21 . 123.5(4) yes
C20 . C19 . C21 . 119.1(4) yes
C15 . C20 . C19 . 124.1(5) yes
C15 . C20 . O1 . 115.1(4) yes
C19 . C20 . O1 . 120.8(4) yes
C19 . C21 . C22 . 107.0(5) yes
C19 . C21 . C23 . 112.5(5) yes
C22 . C21 . C23 . 108.3(5) yes
C19 . C21 . C25 . 110.1(4) yes
C22 . C21 . C25 . 107.9(5) yes
C23 . C21 . C25 . 110.8(5) yes
C21 . C22 . H221 . 109.0 no
C21 . C22 . H222 . 109.9 no
H221 . C22 . H222 . 109.5 no
C21 . C22 . H223 . 109.5 no
H221 . C22 . H223 . 109.5 no
H222 . C22 . H223 . 109.5 no
C21 . C23 . H231 . 109.1 no
C21 . C23 . H232 . 110.0 no
H231 . C23 . H232 . 109.5 no
C21 . C23 . H233 . 109.3 no
H231 . C23 . H233 . 109.5 no
H232 . C23 . H233 . 109.5 no
C25 . C24 . C28 . 123.1(4) yes
C25 . C24 . O1 . 119.6(4) yes
C28 . C24 . O1 . 117.2(4) yes
C21 . C25 . C24 . 119.4(4) yes
C21 . C25 . C43 . 124.9(4) yes
C24 . C25 . C43 . 115.7(4) yes
C27 . C26 . C43 . 121.2(5) yes
C27 . C26 . H261 . 119.1 no
C43 . C26 . H261 . 119.7 no
C26 . C27 . C28 . 120.4(5) yes
C26 . C27 . H271 . 120.2 no
C28 . C27 . H271 . 119.4 no
P2 . C28 . C24 . 117.7(4) yes
P2 . C28 . C27 . 124.2(4) yes
C24 . C28 . C27 . 118.0(4) yes
P2 . C29 . C30 . 123.1(4) yes
P2 . C29 . C34 . 118.0(4) yes
C30 . C29 . C34 . 118.8(5) yes
C29 . C30 . C31 . 121.4(5) yes
C29 . C30 . H301 . 119.2 no
C31 . C30 . H301 . 119.3 no
C30 . C31 . C32 . 119.4(6) yes
C30 . C31 . H311 . 120.7 no
C32 . C31 . H311 . 119.8 no
C31 . C32 . C33 . 119.1(6) yes
C31 . C32 . H321 . 121.0 no
C33 . C32 . H321 . 119.9 no
C32 . C33 . C34 . 121.3(6) yes
C32 . C33 . H331 . 119.2 no
C34 . C33 . H331 . 119.5 no
C33 . C34 . C29 . 119.9(6) yes
C33 . C34 . H341 . 119.9 no
C29 . C34 . H341 . 120.2 no
P2 . C35 . C36 . 123.4(4) yes
P2 . C35 . C40 . 118.3(4) yes
C36 . C35 . C40 . 118.1(4) yes
C35 . C36 . C37 . 120.4(5) yes
C35 . C36 . H361 . 119.4 no
C37 . C36 . H361 . 120.3 no
C36 . C37 . C38 . 120.3(5) yes
C36 . C37 . H371 . 119.7 no
C38 . C37 . H371 . 120.0 no
C37 . C38 . C39 . 122.8(5) yes
C37 . C38 . H381 . 118.9 no
C39 . C38 . H381 . 118.3 no
C38 . C39 . C40 . 116.3(5) yes
C38 . C39 . H391 . 122.1 no
C40 . C39 . H391 . 121.6 no
C39 . C40 . C35 . 122.1(5) yes
C39 . C40 . H401 . 119.0 no
C35 . C40 . H401 . 118.8 no
Cl2 . C41 . Cl3 . 91.8(4) yes
Cl2 . C41 . Cl4 . 105.0(4) yes
Cl3 . C41 . Cl4 . 110.4(4) yes
Cl2 . C41 . H411 . 170.9 no
Cl3 . C41 . H411 . 90.6 no
Cl4 . C41 . H411 . 82.3 no
Cl2 . C41 . H412 . 70.3 no
Cl3 . C41 . H412 . 159.5 no
Cl4 . C41 . H412 . 84.5 no
H411 . C41 . H412 . 105.6 no
Cl6 . C42 . Cl5 . 108.5(4) yes
Cl6 . C42 . H421 . 110.9 no
Cl5 . C42 . H421 . 111.2 no
Cl6 . C42 . H422 . 108.3 no
Cl5 . C42 . H422 . 108.4 no
H421 . C42 . H422 . 109.5 no
C25 . C43 . C26 . 121.4(5) yes
C25 . C43 . H431 . 119.2 no
C26 . C43 . H431 . 119.3 no
C20 . O1 . C24 . 117.6(4) yes
C41 . H412 . Cl2 . 79.4 no
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 . P1 . 2.5173(14) yes
Ag1 . P2 . 2.4635(13) yes
Ag1 . S1 . 2.6476(14) yes
Ag1 . Cl1 . 2.6124(15) yes
P1 . C3 . 1.792(6) yes
P1 . C9 . 1.828(5) yes
P1 . C15 . 1.816(5) yes
P2 . C28 . 1.821(5) yes
P2 . C29 . 1.814(5) yes
P2 . C35 . 1.824(5) yes
S1 . C1 . 1.679(6) yes
S2 . C1 . 1.740(6) yes
S2 . C2 . 1.768(7) yes
Cl2 . Cl3 . 2.451(7) yes
Cl2 . C41 . 1.720(5) yes
Cl2 . H412 . 1.647 no
Cl3 . C41 . 1.693(5) yes
Cl4 . C41 . 1.685(5) yes
Cl5 . C42 . 1.686(5) yes
Cl6 . C42 . 1.695(5) yes
N1 . N2 . 1.374(7) yes
N1 . C1 . 1.300(8) yes
N1 . H11 . 0.860 no
N2 . C2 . 1.271(8) yes
N3 . C2 . 1.325(8) yes
N3 . H31 . 0.860 no
N3 . H32 . 0.860 no
C3 . C4 . 1.388(8) yes
C3 . C8 . 1.410(8) yes
C4 . C5 . 1.397(9) yes
C4 . H41 . 0.940 no
C5 . C6 . 1.376(10) yes
C5 . H51 . 0.931 no
C6 . C7 . 1.394(10) yes
C6 . H61 . 0.934 no
C7 . C8 . 1.372(9) yes
C7 . H71 . 0.929 no
C8 . H81 . 0.930 no
C9 . C10 . 1.418(7) yes
C9 . C14 . 1.379(8) yes
C10 . C11 . 1.400(8) yes
C10 . H101 . 0.935 no
C11 . C12 . 1.332(8) yes
C11 . H111 . 0.930 no
C12 . C13 . 1.373(8) yes
C12 . H121 . 0.931 no
C13 . C14 . 1.361(8) yes
C13 . H131 . 0.940 no
C14 . H141 . 0.931 no
C15 . C16 . 1.408(7) yes
C15 . C20 . 1.414(7) yes
C16 . C17 . 1.358(7) yes
C16 . H161 . 0.931 no
C17 . C18 . 1.376(7) yes
C17 . H171 . 0.924 no
C18 . C19 . 1.404(7) yes
C18 . H181 . 0.935 no
C19 . C20 . 1.369(7) yes
C19 . C21 . 1.509(7) yes
C20 . O1 . 1.390(6) yes
C21 . C22 . 1.549(8) yes
C21 . C23 . 1.556(8) yes
C21 . C25 . 1.490(7) yes
C22 . H221 . 0.950 no
C22 . H222 . 0.950 no
C22 . H223 . 0.950 no
C23 . H231 . 0.950 no
C23 . H232 . 0.950 no
C23 . H233 . 0.950 no
C24 . C25 . 1.410(7) yes
C24 . C28 . 1.391(7) yes
C24 . O1 . 1.359(6) yes
C25 . C43 . 1.407(7) yes
C26 . C27 . 1.399(7) yes
C26 . C43 . 1.344(7) yes
C26 . H261 . 0.930 no
C27 . C28 . 1.360(7) yes
C27 . H271 . 0.929 no
C29 . C30 . 1.390(7) yes
C29 . C34 . 1.375(8) yes
C30 . C31 . 1.396(8) yes
C30 . H301 . 0.935 no
C31 . C32 . 1.376(9) yes
C31 . H311 . 0.926 no
C32 . C33 . 1.388(9) yes
C32 . H321 . 0.938 no
C33 . C34 . 1.389(9) yes
C33 . H331 . 0.931 no
C34 . H341 . 0.927 no
C35 . C36 . 1.421(7) yes
C35 . C40 . 1.372(7) yes
C36 . C37 . 1.358(7) yes
C36 . H361 . 0.926 no
C37 . C38 . 1.360(8) yes
C37 . H371 . 0.934 no
C38 . C39 . 1.386(8) yes
C38 . H381 . 0.931 no
C39 . C40 . 1.418(7) yes
C39 . H391 . 0.928 no
C40 . H401 . 0.924 no
C41 . H411 . 1.027 no
C41 . H412 . 0.883 no
C42 . H421 . 0.950 no
C42 . H422 . 0.950 no
C43 . H431 . 0.927 no
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
C41 . H412 . N2 . 145 0.88 2.46 3.225(8) yes
