#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:20:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179477 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/74/4337457.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_4337457
loop_
_publ_author_name
'Siewe, Arlette Deukam'
'Kim, Ja-Yeon'
'Kim, Seulgi'
'Park, In-Hyeok'
'Lee, Shim Sung'
_publ_section_title
;
 Regioisomer-dependent endo- and exocyclic coordination of
 bis-dithiamacrocycles.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              393
_journal_page_last               398
_journal_paper_doi               10.1021/ic402346z
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C50 H77 Ag3 F18 N3 O8 P3 S8'
_chemical_formula_weight         1863.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.324(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.9611(9)
_cell_length_b                   17.2003(9)
_cell_length_c                   21.6034(12)
_cell_measurement_reflns_used    9852
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      2.34
_cell_volume                     7246.3(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            51113
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.18
_exptl_absorpt_coefficient_mu    1.194
_exptl_absorpt_correction_T_max  0.9350
_exptl_absorpt_correction_T_min  0.4580
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3752
_exptl_crystal_size_max          0.77
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.235
_refine_diff_density_min         -2.191
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     788
_refine_ls_number_reflns         13901
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1358P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2027
_refine_ls_wR_factor_ref         0.2240
_reflns_number_gt                8877
_reflns_number_total             13901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic402346z_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               4337457
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.28496(2) 0.27248(3) 0.60824(2) 0.04613(17) Uani 1 1 d .
Ag2 Ag 0.21104(2) 0.32104(3) 0.88067(2) 0.04501(17) Uani 1 1 d .
Ag3 Ag 0.33042(4) -0.08843(4) 0.68235(3) 0.0741(2) Uani 1 1 d .
S1 S 0.35909(9) 0.15044(10) 0.63826(8) 0.0473(4) Uani 1 1 d .
S2 S 0.36017(8) 0.39038(10) 0.63415(10) 0.0513(5) Uani 1 1 d .
S3 S 0.16640(8) 0.24394(12) 0.62569(8) 0.0512(4) Uani 1 1 d .
S4 S 0.33213(8) 0.32198(10) 0.86287(8) 0.0432(4) Uani 1 1 d .
S5 S 0.41138(13) -0.02245(12) 0.77473(10) 0.0730(7) Uani 1 1 d .
S6 S 0.20592(15) -0.06111(15) 0.67750(12) 0.0838(8) Uani 1 1 d .
S7 S 0.13381(7) 0.44075(10) 0.86752(8) 0.0409(4) Uani 1 1 d .
S8 S 0.13820(8) 0.19937(10) 0.85988(8) 0.0457(4) Uani 1 1 d .
P1 P 0.02248(11) 0.34916(13) 0.08827(11) 0.0616(5) Uani 1 1 d .
P2 P 0.49413(11) 0.37908(13) 0.42538(12) 0.0649(6) Uani 1 1 d .
P3 P 0.5000 0.0000 0.5000 0.0617(8) Uani 1 2 d S
P4 P 0.0000 -0.0069(4) 0.7500 0.320(10) Uani 1 2 d SD
F1 F 0.1030(3) 0.3587(3) 0.1171(3) 0.0842(15) Uani 1 1 d .
F2 F -0.0576(3) 0.3402(4) 0.0601(3) 0.0984(18) Uani 1 1 d .
F3 F 0.0074(3) 0.3992(4) 0.1473(3) 0.1034(19) Uani 1 1 d .
F4 F 0.0390(3) 0.3046(4) 0.0284(3) 0.1001(19) Uani 1 1 d .
F5 F 0.0229(3) 0.4278(4) 0.0500(3) 0.111(2) Uani 1 1 d .
F6 F 0.0236(4) 0.2737(3) 0.1285(4) 0.119(2) Uani 1 1 d .
F7 F 0.5638(3) 0.3941(4) 0.4755(3) 0.1017(19) Uani 1 1 d .
F8 F 0.4223(3) 0.3626(4) 0.3777(3) 0.108(2) Uani 1 1 d .
F9 F 0.4564(3) 0.4410(3) 0.4594(3) 0.1054(19) Uani 1 1 d .
F10 F 0.5317(4) 0.3170(4) 0.3922(3) 0.116(2) Uani 1 1 d .
F11 F 0.5122(4) 0.4449(4) 0.3815(4) 0.130(3) Uani 1 1 d .
F12 F 0.4734(4) 0.3140(4) 0.4717(4) 0.118(2) Uani 1 1 d .
F13 F 0.5047(3) -0.0264(3) 0.4295(2) 0.0836(15) Uani 1 1 d .
F14 F 0.4824(3) 0.0861(3) 0.4753(3) 0.0792(14) Uani 1 1 d .
F15 F 0.4191(3) -0.0190(3) 0.4847(2) 0.0744(13) Uani 1 1 d .
F17 F -0.0341(7) 0.0546(6) 0.7897(7) 0.363(14) Uani 1 1 d D
F16 F 0.0357(8) -0.0729(9) 0.7159(9) 0.436(19) Uani 1 1 d D
F18 F 0.0620(7) -0.0105(15) 0.8106(6) 0.397(15) Uani 1 1 d D
O1 O 0.2850(3) 0.1969(4) 0.4990(3) 0.0716(16) Uani 1 1 d .
O2 O 0.2616(3) 0.3563(4) 0.4978(3) 0.0677(15) Uani 1 1 d .
O3 O 0.1896(3) 0.4264(3) 0.6372(3) 0.0657(15) Uani 1 1 d .
O4 O 0.2612(3) 0.4468(3) 0.7681(3) 0.0608(13) Uani 1 1 d .
O5 O 0.4117(5) -0.1980(3) 0.7463(3) 0.101(2) Uani 1 1 d .
O6 O 0.2727(6) -0.2258(4) 0.7065(3) 0.111(3) Uani 1 1 d .
O7 O 0.2417(2) 0.4004(3) 0.9940(2) 0.0477(11) Uani 1 1 d .
O8 O 0.2251(3) 0.2386(3) 0.9947(2) 0.0597(13) Uani 1 1 d .
N1 N 0.3621(4) -0.1289(4) 0.5943(3) 0.074(2) Uani 1 1 d .
C1 C 0.5000 0.1915(5) 0.7500 0.041(2) Uani 1 2 d S
H1 H 0.5000 0.1363 0.7500 0.049 Uiso 1 2 calc SR
C2 C 0.4747(3) 0.2293(4) 0.6925(3) 0.0424(15) Uani 1 1 d .
C3 C 0.4457(4) 0.1818(5) 0.6337(4) 0.0561(19) Uani 1 1 d .
H3A H 0.4751 0.1359 0.6316 0.067 Uiso 1 1 calc R
H3B H 0.4439 0.2136 0.5952 0.067 Uiso 1 1 calc R
C4 C 0.3327(5) 0.0916(5) 0.5660(4) 0.067(2) Uani 1 1 d .
H4A H 0.3646 0.0472 0.5684 0.080 Uiso 1 1 calc R
H4B H 0.2865 0.0702 0.5653 0.080 Uiso 1 1 calc R
C5 C 0.3305(5) 0.1331(6) 0.5052(4) 0.073(2) Uani 1 1 d .
H5A H 0.3771 0.1518 0.5037 0.087 Uiso 1 1 calc R
H5B H 0.3155 0.0968 0.4694 0.087 Uiso 1 1 calc R
C6 C 0.2808(6) 0.2383(6) 0.4404(4) 0.094(3) Uani 1 1 d .
H6A H 0.2598 0.2049 0.4040 0.113 Uiso 1 1 calc R
H6B H 0.3271 0.2536 0.4355 0.113 Uiso 1 1 calc R
C7 C 0.2381(6) 0.3077(7) 0.4425(4) 0.089(3) Uani 1 1 d .
H7A H 0.2374 0.3392 0.4040 0.107 Uiso 1 1 calc R
H7B H 0.1905 0.2909 0.4418 0.107 Uiso 1 1 calc R
C8 C 0.3229(4) 0.3974(6) 0.4989(4) 0.073(3) Uani 1 1 d .
H8A H 0.3174 0.4318 0.4614 0.087 Uiso 1 1 calc R
H8B H 0.3608 0.3606 0.4979 0.087 Uiso 1 1 calc R
C9 C 0.3389(4) 0.4447(5) 0.5581(5) 0.081(3) Uani 1 1 d .
H9A H 0.2990 0.4785 0.5590 0.097 Uiso 1 1 calc R
H9B H 0.3781 0.4791 0.5558 0.097 Uiso 1 1 calc R
C10 C 0.4483(3) 0.3592(4) 0.6329(4) 0.0506(17) Uani 1 1 d .
H10A H 0.4485 0.3280 0.5944 0.061 Uiso 1 1 calc R
H10B H 0.4780 0.4052 0.6326 0.061 Uiso 1 1 calc R
C11 C 0.4745(3) 0.3109(4) 0.6917(3) 0.0413(15) Uani 1 1 d .
C12 C 0.5000 0.3493(5) 0.7500 0.040(2) Uani 1 2 d S
H12 H 0.5000 0.4046 0.7500 0.048 Uiso 1 2 calc SR
C13 C 0.2272(3) 0.1918(4) 0.7442(3) 0.0433(15) Uani 1 1 d .
C14 C 0.1806(3) 0.2563(4) 0.7126(3) 0.0485(17) Uani 1 1 d .
H14A H 0.2020 0.3075 0.7250 0.058 Uiso 1 1 calc R
H14B H 0.1363 0.2542 0.7261 0.058 Uiso 1 1 calc R
C15 C 0.1077(3) 0.3217(5) 0.5973(4) 0.059(2) Uani 1 1 d .
H15A H 0.0774 0.3048 0.5571 0.071 Uiso 1 1 calc R
H15B H 0.0785 0.3301 0.6284 0.071 Uiso 1 1 calc R
C16 C 0.1391(4) 0.3971(5) 0.5862(4) 0.063(2) Uani 1 1 d .
H16A H 0.1602 0.3914 0.5489 0.076 Uiso 1 1 calc R
H16B H 0.1021 0.4362 0.5753 0.076 Uiso 1 1 calc R
C17 C 0.1603(4) 0.4641(5) 0.6831(4) 0.070(2) Uani 1 1 d .
H17A H 0.1354 0.4257 0.7040 0.084 Uiso 1 1 calc R
H17B H 0.1270 0.5037 0.6624 0.084 Uiso 1 1 calc R
C18 C 0.2159(5) 0.5027(5) 0.7324(5) 0.072(2) Uani 1 1 d .
H18A H 0.2426 0.5385 0.7110 0.086 Uiso 1 1 calc R
H18B H 0.1944 0.5338 0.7615 0.086 Uiso 1 1 calc R
C19 C 0.3035(4) 0.4754(4) 0.8238(4) 0.063(2) Uani 1 1 d .
H19A H 0.2751 0.4858 0.8553 0.076 Uiso 1 1 calc R
H19B H 0.3238 0.5253 0.8143 0.076 Uiso 1 1 calc R
C20 C 0.3603(4) 0.4204(4) 0.8522(4) 0.059(2) Uani 1 1 d .
H20A H 0.3840 0.4410 0.8939 0.070 Uiso 1 1 calc R
H20B H 0.3939 0.4189 0.8246 0.070 Uiso 1 1 calc R
C21 C 0.3277(3) 0.2823(4) 0.7830(3) 0.0422(15) Uani 1 1 d .
H21A H 0.3012 0.3181 0.7510 0.051 Uiso 1 1 calc R
H21B H 0.3746 0.2778 0.7750 0.051 Uiso 1 1 calc R
C22 C 0.2942(3) 0.2039(4) 0.7767(3) 0.0382(14) Uani 1 1 d .
C23 C 0.3338(3) 0.1393(4) 0.8044(3) 0.0454(15) Uani 1 1 d .
H23A H 0.3797 0.1474 0.8266 0.055 Uiso 1 1 calc R
C24 C 0.3070(4) 0.0654(4) 0.7996(3) 0.0537(18) Uani 1 1 d .
C25 C 0.3541(5) -0.0003(5) 0.8286(4) 0.076(3) Uani 1 1 d .
H25A H 0.3268 -0.0468 0.8343 0.091 Uiso 1 1 calc R
H25B H 0.3812 0.0156 0.8706 0.091 Uiso 1 1 calc R
C26 C 0.4621(8) -0.1017(6) 0.8189(5) 0.126(6) Uani 1 1 d .
H26A H 0.5053 -0.1079 0.8039 0.152 Uiso 1 1 calc R
H26B H 0.4741 -0.0881 0.8645 0.152 Uiso 1 1 calc R
C27 C 0.4222(8) -0.1792(5) 0.8105(5) 0.118(5) Uani 1 1 d .
H27A H 0.4491 -0.2204 0.8366 0.142 Uiso 1 1 calc R
H27B H 0.3778 -0.1733 0.8234 0.142 Uiso 1 1 calc R
C28 C 0.3838(8) -0.2738(6) 0.7295(7) 0.118(4) Uani 1 1 d .
H28A H 0.4151 -0.3140 0.7523 0.141 Uiso 1 1 calc R
H28B H 0.3789 -0.2823 0.6834 0.141 Uiso 1 1 calc R
C29 C 0.3176(9) -0.2798(5) 0.7461(6) 0.113(5) Uani 1 1 d .
H29A H 0.2996 -0.3335 0.7388 0.135 Uiso 1 1 calc R
H29B H 0.3214 -0.2667 0.7913 0.135 Uiso 1 1 calc R
C30 C 0.2082(10) -0.2177(10) 0.7217(8) 0.146(7) Uani 1 1 d .
H30A H 0.2145 -0.2025 0.7668 0.176 Uiso 1 1 calc R
H30B H 0.1844 -0.2686 0.7163 0.176 Uiso 1 1 calc R
C31 C 0.1620(8) -0.1555(7) 0.6794(7) 0.124(5) Uani 1 1 d .
H31A H 0.1199 -0.1472 0.6959 0.148 Uiso 1 1 calc R
H31B H 0.1480 -0.1757 0.6357 0.148 Uiso 1 1 calc R
C32 C 0.2050(5) -0.0259(5) 0.7585(4) 0.072(2) Uani 1 1 d .
H32A H 0.1572 -0.0218 0.7642 0.086 Uiso 1 1 calc R
H32B H 0.2301 -0.0625 0.7905 0.086 Uiso 1 1 calc R
C33 C 0.2388(4) 0.0524(4) 0.7662(3) 0.0562(19) Uani 1 1 d .
C34 C 0.2003(4) 0.1150(4) 0.7396(3) 0.0522(18) Uani 1 1 d .
H34A H 0.1543 0.1067 0.7176 0.063 Uiso 1 1 calc R
C35 C 0.0000 0.3959(6) 0.7500 0.042(2) Uani 1 2 d S
H35A H 0.0000 0.4511 0.7500 0.051 Uiso 1 2 calc SR
C36 C 0.0230(3) 0.3576(4) 0.8082(3) 0.0382(14) Uani 1 1 d .
C37 C 0.0478(3) 0.4054(4) 0.8675(3) 0.0435(15) Uani 1 1 d .
H37A H 0.0486 0.3730 0.9056 0.052 Uiso 1 1 calc R
H37B H 0.0165 0.4498 0.8684 0.052 Uiso 1 1 calc R
C38 C 0.1535(4) 0.4875(4) 0.9461(3) 0.0517(18) Uani 1 1 d .
H38A H 0.1897 0.5270 0.9465 0.062 Uiso 1 1 calc R
H38B H 0.1120 0.5151 0.9526 0.062 Uiso 1 1 calc R
C39 C 0.1769(3) 0.4334(4) 1.0003(3) 0.0503(17) Uani 1 1 d .
H39A H 0.1824 0.4619 1.0409 0.060 Uiso 1 1 calc R
H39B H 0.1426 0.3917 0.9997 0.060 Uiso 1 1 calc R
C40 C 0.2731(4) 0.3530(5) 1.0465(4) 0.060(2) Uani 1 1 d .
H40A H 0.2775 0.3836 1.0860 0.072 Uiso 1 1 calc R
H40B H 0.3198 0.3387 1.0420 0.072 Uiso 1 1 calc R
C41 C 0.2334(5) 0.2800(5) 1.0522(4) 0.068(2) Uani 1 1 d .
H41A H 0.2585 0.2477 1.0876 0.082 Uiso 1 1 calc R
H41B H 0.1880 0.2932 1.0609 0.082 Uiso 1 1 calc R
C42 C 0.1782(5) 0.1752(5) 0.9913(4) 0.067(2) Uani 1 1 d .
H42A H 0.1338 0.1945 0.9987 0.080 Uiso 1 1 calc R
H42B H 0.1966 0.1369 1.0249 0.080 Uiso 1 1 calc R
C43 C 0.1672(5) 0.1371(4) 0.9292(4) 0.066(2) Uani 1 1 d .
H43A H 0.1329 0.0952 0.9282 0.079 Uiso 1 1 calc R
H43B H 0.2107 0.1121 0.9251 0.079 Uiso 1 1 calc R
C44 C 0.0513(3) 0.2277(4) 0.8668(3) 0.0452(16) Uani 1 1 d .
H44A H 0.0223 0.1813 0.8680 0.054 Uiso 1 1 calc R
H44B H 0.0528 0.2586 0.9058 0.054 Uiso 1 1 calc R
C45 C 0.0235(3) 0.2764(4) 0.8080(3) 0.0386(14) Uani 1 1 d .
C46 C 0.0000 0.2380(5) 0.7500 0.0371(19) Uani 1 2 d S
H46A H 0.0000 0.1828 0.7500 0.045 Uiso 1 2 calc SR
C47 C 0.3729(4) -0.1556(5) 0.5503(5) 0.065(2) Uani 1 1 d .
C48 C 0.3868(6) -0.1930(6) 0.4925(5) 0.091(3) Uani 1 1 d .
H48A H 0.3536 -0.1744 0.4553 0.109 Uiso 1 1 calc R
H48B H 0.3828 -0.2495 0.4960 0.109 Uiso 1 1 calc R
H48C H 0.4333 -0.1797 0.4881 0.109 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
N N 0.0061 0.0033 '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
S2 Ag1 S3 131.17(7) . .
S2 Ag1 S1 108.56(6) . .
S3 Ag1 S1 108.13(6) . .
S4 Ag2 S8 120.64(6) . .
S4 Ag2 S7 123.54(6) . .
S8 Ag2 S7 109.68(5) . .
N1 Ag3 S6 118.7(2) . .
N1 Ag3 S5 123.8(2) . .
S6 Ag3 S5 113.95(8) . .
C3 S1 C4 102.6(4) . .
C3 S1 Ag1 104.2(3) . .
C4 S1 Ag1 100.9(3) . .
C10 S2 C9 99.9(4) . .
C10 S2 Ag1 106.8(3) . .
C9 S2 Ag1 101.3(3) . .
C15 S3 C14 102.0(4) . .
C15 S3 Ag1 111.6(2) . .
C14 S3 Ag1 100.58(19) . .
C20 S4 C21 100.5(3) . .
C20 S4 Ag2 110.9(2) . .
C21 S4 Ag2 106.5(2) . .
C25 S5 C26 100.0(6) . .
C25 S5 Ag3 102.2(3) . .
C26 S5 Ag3 105.2(4) . .
C31 S6 C32 99.5(5) . .
C31 S6 Ag3 107.7(5) . .
C32 S6 Ag3 103.4(3) . .
C37 S7 C38 99.3(3) . .
C37 S7 Ag2 106.1(2) . .
C38 S7 Ag2 104.1(2) . .
C43 S8 C44 103.1(4) . .
C43 S8 Ag2 105.6(3) . .
C44 S8 Ag2 106.4(2) . .
F6 P1 F5 177.6(4) . .
F6 P1 F2 91.5(4) . .
F5 P1 F2 90.0(3) . .
F6 P1 F4 94.0(4) . .
F5 P1 F4 87.8(4) . .
F2 P1 F4 90.4(3) . .
F6 P1 F1 88.5(3) . .
F5 P1 F1 90.0(3) . .
F2 P1 F1 179.5(4) . .
F4 P1 F1 90.0(3) . .
F6 P1 F3 89.3(4) . .
F5 P1 F3 88.8(4) . .
F2 P1 F3 90.7(3) . .
F4 P1 F3 176.5(4) . .
F1 P1 F3 88.8(3) . .
F10 P2 F11 91.2(4) . .
F10 P2 F9 179.4(4) . .
F11 P2 F9 89.4(4) . .
F10 P2 F7 89.3(4) . .
F11 P2 F7 90.9(4) . .
F9 P2 F7 90.5(3) . .
F10 P2 F8 92.0(4) . .
F11 P2 F8 91.6(4) . .
F9 P2 F8 88.2(4) . .
F7 P2 F8 177.2(4) . .
F10 P2 F12 91.3(4) . .
F11 P2 F12 177.4(4) . .
F9 P2 F12 88.1(4) . .
F7 P2 F12 89.6(4) . .
F8 P2 F12 87.9(4) . .
F14 P3 F14 179.997(1) 3_656 .
F14 P3 F13 89.9(3) 3_656 3_656
F14 P3 F13 90.1(3) . 3_656
F14 P3 F13 90.1(3) 3_656 .
F14 P3 F13 89.9(3) . .
F13 P3 F13 179.999(1) 3_656 .
F14 P3 F15 88.9(3) 3_656 3_656
F14 P3 F15 91.1(3) . 3_656
F13 P3 F15 90.5(3) 3_656 3_656
F13 P3 F15 89.5(3) . 3_656
F14 P3 F15 91.1(3) 3_656 .
F14 P3 F15 88.9(3) . .
F13 P3 F15 89.5(3) 3_656 .
F13 P3 F15 90.5(3) . .
F15 P3 F15 179.998(1) 3_656 .
F18 P4 F18 176(2) . 2_556
F18 P4 F16 86.5(11) . 2_556
F18 P4 F16 90.4(11) 2_556 2_556
F18 P4 F16 90.4(11) . .
F18 P4 F16 86.5(11) 2_556 .
F16 P4 F16 89.6(15) 2_556 .
F18 P4 F17 86.0(11) . .
F18 P4 F17 97.0(10) 2_556 .
F16 P4 F17 86.6(9) 2_556 .
F16 P4 F17 174.9(9) . .
F18 P4 F17 97.0(10) . 2_556
F18 P4 F17 86.0(11) 2_556 2_556
F16 P4 F17 174.9(9) 2_556 2_556
F16 P4 F17 86.6(9) . 2_556
F17 P4 F17 97.4(10) . 2_556
C5 O1 C6 112.5(7) . .
C8 O2 C7 115.5(7) . .
C17 O3 C16 112.2(6) . .
C19 O4 C18 115.0(6) . .
C27 O5 C28 115.5(9) . .
C30 O6 C29 114.3(12) . .
C40 O7 C39 113.4(6) . .
C41 O8 C42 112.5(6) . .
C47 N1 Ag3 172.3(7) . .
C2 C1 C2 124.6(8) . 2_656
C1 C2 C11 118.4(6) . .
C1 C2 C3 119.6(6) . .
C11 C2 C3 122.0(6) . .
C2 C3 S1 108.1(5) . .
C5 C4 S1 115.8(6) . .
O1 C5 C4 110.7(7) . .
O1 C6 C7 107.3(8) . .
O2 C7 C6 113.9(8) . .
O2 C8 C9 108.4(6) . .
C8 C9 S2 116.8(6) . .
C11 C10 S2 107.9(4) . .
C2 C11 C12 117.2(6) . .
C2 C11 C10 123.9(6) . .
C12 C11 C10 118.9(6) . .
C11 C12 C11 124.3(8) 2_656 .
C22 C13 C34 118.9(7) . .
C22 C13 C14 123.5(6) . .
C34 C13 C14 117.6(6) . .
C13 C14 S3 108.6(5) . .
C16 C15 S3 116.0(5) . .
O3 C16 C15 116.0(6) . .
O3 C17 C18 110.1(7) . .
O4 C18 C17 111.5(7) . .
O4 C19 C20 113.2(6) . .
C19 C20 S4 114.4(5) . .
C22 C21 S4 110.4(4) . .
C13 C22 C23 119.1(6) . .
C13 C22 C21 123.0(6) . .
C23 C22 C21 117.9(6) . .
C24 C23 C22 121.3(6) . .
C23 C24 C33 120.0(6) . .
C23 C24 C25 117.4(7) . .
C33 C24 C25 122.5(7) . .
C24 C25 S5 107.9(6) . .
C27 C26 S5 111.5(9) . .
O5 C27 C26 106.4(10) . .
O5 C28 C29 109.2(10) . .
O6 C29 C28 107.0(10) . .
O6 C30 C31 112.6(13) . .
C30 C31 S6 112.9(10) . .
C33 C32 S6 107.7(5) . .
C34 C33 C24 118.7(7) . .
C34 C33 C32 117.3(8) . .
C24 C33 C32 124.0(8) . .
C33 C34 C13 121.9(7) . .
C36 C35 C36 124.2(9) . 2_556
C45 C36 C35 117.8(6) . .
C45 C36 C37 123.0(6) . .
C35 C36 C37 119.2(6) . .
C36 C37 S7 108.7(4) . .
C39 C38 S7 114.9(5) . .
O7 C39 C38 107.8(6) . .
O7 C40 C41 113.1(6) . .
O8 C41 C40 108.3(7) . .
O8 C42 C43 110.9(7) . .
C42 C43 S8 116.5(5) . .
C45 C44 S8 105.0(4) . .
C36 C45 C46 118.1(6) . .
C36 C45 C44 123.2(6) . .
C46 C45 C44 118.6(6) . .
C45 C46 C45 124.0(8) . 2_556
N1 C47 C48 178.5(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S2 2.5141(19) .
Ag1 S3 2.5229(17) .
Ag1 S1 2.5704(18) .
Ag2 S4 2.5273(16) .
Ag2 S8 2.5330(18) .
Ag2 S7 2.5515(16) .
Ag3 N1 2.240(8) .
Ag3 S6 2.509(3) .
Ag3 S5 2.551(2) .
S1 C3 1.832(7) .
S1 C4 1.840(8) .
S2 C10 1.844(7) .
S2 C9 1.859(9) .
S3 C15 1.797(7) .
S3 C14 1.850(7) .
S4 C20 1.813(7) .
S4 C21 1.841(7) .
S5 C25 1.838(10) .
S5 C26 1.839(9) .
S6 C31 1.849(12) .
S6 C32 1.855(8) .
S7 C37 1.821(6) .
S7 C38 1.844(7) .
S8 C43 1.832(8) .
S8 C44 1.839(6) .
P1 F6 1.560(6) .
P1 F5 1.586(6) .
P1 F2 1.591(6) .
P1 F4 1.597(6) .
P1 F1 1.603(5) .
P1 F3 1.619(6) .
P2 F10 1.562(6) .
P2 F11 1.567(7) .
P2 F9 1.574(6) .
P2 F7 1.591(6) .
P2 F8 1.602(6) .
P2 F12 1.614(7) .
P3 F14 1.588(4) 3_656
P3 F14 1.588(4) .
P3 F13 1.610(5) 3_656
P3 F13 1.610(5) .
P3 F15 1.611(5) 3_656
P3 F15 1.611(5) .
P4 F18 1.6001(10) .
P4 F18 1.6002(10) 2_556
P4 F16 1.6010(9) 2_556
P4 F16 1.6010(9) .
P4 F17 1.6016(9) .
P4 F17 1.6016(9) 2_556
O1 C5 1.413(10) .
O1 C6 1.439(11) .
O2 C8 1.409(10) .
O2 C7 1.451(11) .
O3 C17 1.412(10) .
O3 C16 1.419(10) .
O4 C19 1.403(10) .
O4 C18 1.428(9) .
O5 C27 1.396(12) .
O5 C28 1.433(13) .
O6 C30 1.403(18) .
O6 C29 1.440(14) .
O7 C40 1.429(9) .
O7 C39 1.447(8) .
O8 C41 1.411(10) .
O8 C42 1.430(10) .
N1 C47 1.118(10) .
C1 C2 1.398(8) .
C1 C2 1.398(8) 2_656
C2 C11 1.403(9) .
C2 C3 1.517(10) .
C4 C5 1.488(12) .
C6 C7 1.473(13) .
C8 C9 1.490(14) .
C10 C11 1.516(9) .
C11 C12 1.417(8) .
C12 C11 1.417(8) 2_656
C13 C22 1.388(9) .
C13 C34 1.421(10) .
C13 C14 1.513(10) .
C15 C16 1.483(11) .
C17 C18 1.517(13) .
C19 C20 1.503(11) .
C21 C22 1.499(9) .
C22 C23 1.418(9) .
C23 C24 1.375(10) .
C24 C33 1.415(11) .
C24 C25 1.516(10) .
C26 C27 1.542(18) .
C28 C29 1.445(19) .
C30 C31 1.57(2) .
C32 C33 1.500(11) .
C33 C34 1.376(11) .
C35 C36 1.408(8) .
C35 C36 1.408(8) 2_556
C36 C45 1.397(9) .
C36 C37 1.513(9) .
C38 C39 1.490(10) .
C40 C41 1.504(12) .
C42 C43 1.467(12) .
C44 C45 1.523(9) .
C45 C46 1.406(7) .
C46 C45 1.406(7) 2_556
C47 C48 1.481(13) .
