#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:36:50 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180229 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/15/7111569.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7111569
loop_
_publ_author_name
'Liu, C. W.'
'Chang, How-Wei'
'Fang, Ching-Shiang'
'Sarkar, Bijay'
'Wang, Ju-Chun'
_publ_section_title
;
 Anion-templated syntheses of octanuclear silver clusters from a silver
 dithiophosphate chain
;
_journal_issue                   25
_journal_name_full               'Chemical Communications'
_journal_page_first              4571
_journal_page_last               4573
_journal_paper_doi               10.1039/b923388a
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C19 H46 Ag5 F6 O9 P5 S8'
_chemical_formula_weight         1483.24
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 100.929(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.5922(19)
_cell_length_b                   16.7334(19)
_cell_length_c                   17.580(2)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.24
_cell_volume                     4792.5(9)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0543
_diffrn_reflns_av_sigmaI/netI    0.0397
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            57668
_diffrn_reflns_theta_full        28.40
_diffrn_reflns_theta_max         28.40
_diffrn_reflns_theta_min         1.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.584
_exptl_absorpt_correction_T_max  0.4401
_exptl_absorpt_correction_T_min  0.3468
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.056
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.278
_refine_diff_density_min         -1.033
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       0.00103(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         11939
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0427
_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)+(0.0400P)²+10.6318P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1015
_refine_ls_wR_factor_ref         0.1156
_reflns_number_gt                8678
_reflns_number_total             11939
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B923388Asup1.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 /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        4792.4(9)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7111569
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.30269(2) 0.61684(3) 0.24311(2) 0.05508(11) Uani 1 1 d . B .
Ag2 Ag 0.23773(3) 0.78158(3) 0.17701(3) 0.06103(12) Uani 1 1 d . . .
Ag4 Ag 0.11429(2) 0.64716(2) 0.20930(2) 0.05591(11) Uani 1 1 d . B .
Ag3 Ag 0.22924(3) 0.74480(3) 0.36096(3) 0.06526(13) Uani 1 1 d . . .
Ag5 Ag 0.22148(3) 0.43267(3) 0.20271(3) 0.07454(15) Uani 1 1 d . . .
S1 S 0.38306(8) 0.74211(8) 0.21138(7) 0.0510(3) Uani 1 1 d . . .
S2 S 0.35722(9) 0.82713(8) 0.38612(8) 0.0573(3) Uani 1 1 d . . .
S3 S 0.08069(8) 0.75463(7) 0.29987(8) 0.0544(3) Uani 1 1 d . B .
S4 S 0.15110(8) 0.90144(7) 0.18843(8) 0.0507(3) Uani 1 1 d . . .
S5 S 0.11058(8) 0.50773(7) 0.25994(8) 0.0548(3) Uani 1 1 d . B .
S6 S 0.27763(8) 0.59719(7) 0.37606(7) 0.0482(3) Uani 1 1 d . B .
S7 S 0.28844(9) 0.53558(8) 0.12078(8) 0.0572(3) Uani 1 1 d . . .
S8 S 0.14310(8) 0.68648(8) 0.08171(7) 0.0545(3) Uani 1 1 d . . .
P1 P 0.42793(8) 0.77313(7) 0.32190(8) 0.0485(3) Uani 1 1 d . B .
P2 P 0.06085(7) 0.85295(7) 0.23356(8) 0.0458(3) Uani 1 1 d . B .
P3 P 0.17206(8) 0.53596(7) 0.36551(7) 0.0462(3) Uani 1 1 d . . .
P4 P 0.21071(9) 0.60055(8) 0.04515(7) 0.0522(3) Uani 1 1 d D A .
P5 P 0.2193(2) 0.4559(4) 0.7289(2) 0.201(3) Uani 1 1 d . . .
F1 F 0.1755(7) 0.4856(12) 0.6553(5) 0.298(7) Uani 1 1 d . . .
F2 F 0.2571(13) 0.4147(17) 0.8046(9) 0.447(17) Uani 1 1 d . . .
F3 F 0.1419(7) 0.4656(10) 0.7574(5) 0.308(8) Uani 1 1 d . . .
F4 F 0.2937(5) 0.4470(11) 0.6937(7) 0.351(10) Uani 1 1 d . . .
F5 F 0.2538(13) 0.5257(16) 0.7717(12) 0.464(17) Uani 1 1 d . . .
F6 F 0.1941(11) 0.3742(10) 0.6954(12) 0.331(8) Uani 1 1 d . . .
O1 O 0.4599(2) 0.6909(2) 0.3602(2) 0.0633(10) Uani 1 1 d . . .
O2 O 0.5022(3) 0.8313(3) 0.3266(3) 0.0794(13) Uani 1 1 d . . .
O3 O -0.0085(2) 0.8376(3) 0.1613(2) 0.0696(11) Uani 1 1 d . . .
O4 O 0.0275(2) 0.9147(2) 0.2870(2) 0.0644(10) Uani 1 1 d . . .
O5 O 0.1177(2) 0.5881(2) 0.4102(2) 0.0628(10) Uani 1 1 d . B .
O6 O 0.1885(2) 0.4533(2) 0.4080(2) 0.0609(9) Uani 1 1 d . B .
O71 O 0.1653(8) 0.5574(7) -0.0304(5) 0.044(3) Uiso 0.25 1 d PD A 1
O72 O 0.1355(5) 0.5496(6) -0.0004(6) 0.076(3) Uiso 0.50 1 d PD A 2
O73 O 0.1650(8) 0.5221(6) 0.0096(8) 0.046(3) Uiso 0.25 1 d PD A 3
O8 O 0.2585(4) 0.6456(3) -0.0098(3) 0.1004(18) Uani 1 1 d . . .
O9 O 0.1907(7) 0.7485(7) 0.4967(7) 0.086(3) Uiso 0.50 1 d P B 1
O9' O 0.2154(11) 0.7857(11) 0.4994(10) 0.141(6) Uiso 0.50 1 d P B 2
C1 C 0.4985(5) 0.6834(5) 0.4409(4) 0.101(3) Uani 1 1 d . B .
H1A H 0.4618 0.7031 0.4736 0.121 Uiso 1 1 calc R . .
H1B H 0.5484 0.7150 0.4513 0.121 Uiso 1 1 calc R . .
C2 C 0.5176(7) 0.5998(5) 0.4582(5) 0.130(4) Uani 1 1 d . . .
H2A H 0.5435 0.5945 0.5116 0.195 Uiso 1 1 calc R B .
H2B H 0.5541 0.5808 0.4259 0.195 Uiso 1 1 calc R . .
H2C H 0.4680 0.5690 0.4485 0.195 Uiso 1 1 calc R . .
C3 C 0.5615(5) 0.8316(7) 0.2743(7) 0.133(4) Uani 1 1 d D B .
H3A H 0.5810 0.8855 0.2683 0.160 Uiso 1 1 calc R . .
H3B H 0.5362 0.8115 0.2236 0.160 Uiso 1 1 calc R . .
C4 C 0.6305(8) 0.7792(8) 0.3101(8) 0.192(7) Uani 1 1 d D . .
H4A H 0.6706 0.7771 0.2773 0.287 Uiso 1 1 calc R B .
H4B H 0.6101 0.7264 0.3163 0.287 Uiso 1 1 calc R . .
H4C H 0.6553 0.8003 0.3598 0.287 Uiso 1 1 calc R . .
C5 C -0.0884(5) 0.8022(7) 0.1717(6) 0.130(4) Uani 1 1 d D B .
H5A H -0.1265 0.8448 0.1772 0.156 Uiso 0.25 1 calc PR C 1
H5B H -0.0798 0.7706 0.2188 0.156 Uiso 0.25 1 calc PR C 1
H5C H -0.0970 0.8124 0.2233 0.156 Uiso 0.75 1 d PR C 2
H5D H -0.0891 0.7455 0.1634 0.156 Uiso 0.75 1 d PR C 2
C6 C -0.125(3) 0.749(3) 0.103(2) 0.18(2) Uiso 0.25 1 d PD B 1
H6A H -0.1759 0.7266 0.1119 0.268 Uiso 0.25 1 calc PR B 1
H6B H -0.0876 0.7074 0.0974 0.268 Uiso 0.25 1 calc PR B 1
H6C H -0.1359 0.7811 0.0567 0.268 Uiso 0.25 1 calc PR B 1
C6' C -0.1514(14) 0.8345(14) 0.1152(13) 0.210(9) Uiso 0.75 1 d P B 2
H6'A H -0.2033 0.8129 0.1217 0.315 Uiso 0.75 1 calc PR B 2
H6'B H -0.1418 0.8212 0.0645 0.315 Uiso 0.75 1 calc PR B 2
H6'C H -0.1522 0.8916 0.1208 0.315 Uiso 0.75 1 calc PR B 2
C7 C 0.0005(4) 0.9942(4) 0.2595(5) 0.0825(19) Uani 1 1 d . B .
H7A H -0.0463 0.9901 0.2172 0.099 Uiso 1 1 calc R . .
H7B H 0.0443 1.0216 0.2406 0.099 Uiso 1 1 calc R . .
C8 C -0.0225(5) 1.0397(5) 0.3243(6) 0.114(3) Uani 1 1 d . . .
H8A H -0.0405 1.0922 0.3068 0.172 Uiso 1 1 calc R B .
H8B H 0.0242 1.0439 0.3658 0.172 Uiso 1 1 calc R . .
H8C H -0.0662 1.0125 0.3425 0.172 Uiso 1 1 calc R . .
C9 C 0.0319(5) 0.5690(5) 0.4091(6) 0.109(3) Uani 1 1 d . . .
H9A H 0.0007 0.5736 0.3568 0.131 Uiso 1 1 calc R B .
H9B H 0.0272 0.5145 0.4265 0.131 Uiso 1 1 calc R . .
C10 C 0.0000(7) 0.6225(6) 0.4586(8) 0.158(5) Uani 1 1 d . B .
H10A H -0.0568 0.6104 0.4575 0.237 Uiso 1 1 calc R . .
H10B H 0.0049 0.6764 0.4413 0.237 Uiso 1 1 calc R . .
H10C H 0.0302 0.6169 0.5106 0.237 Uiso 1 1 calc R . .
C11 C 0.2298(5) 0.4486(4) 0.4892(4) 0.086(2) Uani 1 1 d . . .
H11A H 0.1966 0.4743 0.5219 0.103 Uiso 1 1 calc R B .
H11B H 0.2823 0.4760 0.4961 0.103 Uiso 1 1 calc R . .
C12 C 0.2427(6) 0.3642(4) 0.5114(4) 0.101(3) Uani 1 1 d . B .
H12A H 0.2702 0.3608 0.5645 0.152 Uiso 1 1 calc R . .
H12B H 0.2756 0.3391 0.4789 0.152 Uiso 1 1 calc R . .
H12C H 0.1906 0.3376 0.5053 0.152 Uiso 1 1 calc R . .
C131 C 0.102(2) 0.5051(19) -0.012(2) 0.087(8) Uiso 0.25 1 d P A 1
H13A H 0.0575 0.5384 -0.0026 0.104 Uiso 0.25 1 calc PR A 1
H13B H 0.1249 0.4788 0.0367 0.104 Uiso 0.25 1 calc PR A 1
C141 C 0.0651(18) 0.4381(16) -0.0720(16) 0.053(6) Uiso 0.25 1 d P A 1
H14A H 0.0243 0.4084 -0.0517 0.080 Uiso 0.25 1 calc PR A 1
H14B H 0.1079 0.4026 -0.0805 0.080 Uiso 0.25 1 calc PR A 1
H14C H 0.0403 0.4626 -0.1201 0.080 Uiso 0.25 1 calc PR A 1
C132 C 0.1420(10) 0.4798(9) -0.0450(9) 0.087(4) Uiso 0.50 1 d P A 2
H13C H 0.1609 0.4341 -0.0124 0.104 Uiso 0.50 1 calc PR A 2
H13D H 0.1781 0.4880 -0.0817 0.104 Uiso 0.50 1 calc PR A 2
C142 C 0.0525(9) 0.4705(10) -0.0854(9) 0.077(4) Uiso 0.50 1 d P A 2
H14D H 0.0473 0.4246 -0.1188 0.116 Uiso 0.50 1 calc PR A 2
H14E H 0.0354 0.5174 -0.1156 0.116 Uiso 0.50 1 calc PR A 2
H14F H 0.0186 0.4636 -0.0473 0.116 Uiso 0.50 1 calc PR A 2
C133 C 0.0988(14) 0.5364(14) -0.0622(14) 0.060(5) Uiso 0.25 1 d P A 3
H13E H 0.1183 0.5691 -0.1005 0.072 Uiso 0.25 1 calc PR A 3
H13F H 0.0494 0.5597 -0.0496 0.072 Uiso 0.25 1 calc PR A 3
C143 C 0.0858(18) 0.4425(17) -0.0894(17) 0.061(7) Uiso 0.25 1 d P A 3
H14G H 0.0442 0.4392 -0.1354 0.092 Uiso 0.25 1 calc PR A 3
H14H H 0.0691 0.4119 -0.0488 0.092 Uiso 0.25 1 calc PR A 3
H14I H 0.1364 0.4215 -0.0998 0.092 Uiso 0.25 1 calc PR A 3
C15 C 0.3239(7) 0.6173(7) -0.0391(7) 0.153(5) Uani 1 1 d D B .
H15A H 0.3055 0.5714 -0.0715 0.184 Uiso 1 1 calc R . .
H15B H 0.3652 0.5986 0.0038 0.184 Uiso 1 1 calc R . .
C16 C 0.3625(8) 0.6736(7) -0.0844(7) 0.159(5) Uani 1 1 d D . .
H16A H 0.4064 0.6474 -0.1031 0.238 Uiso 1 1 calc R B .
H16B H 0.3841 0.7180 -0.0523 0.238 Uiso 1 1 calc R . .
H16C H 0.3226 0.6924 -0.1275 0.238 Uiso 1 1 calc R . .
C17 C 0.1556(6) 0.8021(7) 0.5292(5) 0.111(3) Uani 1 1 d . . .
C19 C 0.1504(16) 0.7684(15) 0.6100(15) 0.129(8) Uiso 0.50 1 d P B 1
H19A H 0.1488 0.7111 0.6078 0.194 Uiso 0.50 1 calc PR B 1
H19B H 0.1015 0.7880 0.6254 0.194 Uiso 0.50 1 calc PR B 1
H19C H 0.1976 0.7853 0.6469 0.194 Uiso 0.50 1 calc PR B 1
C18 C 0.1424(15) 0.8756(14) 0.5055(15) 0.115(7) Uiso 0.50 1 d P B 1
H18A H 0.1482 0.8796 0.4524 0.173 Uiso 0.50 1 calc PR B 1
H18B H 0.1814 0.9103 0.5368 0.173 Uiso 0.50 1 calc PR B 1
H18C H 0.0878 0.8912 0.5101 0.173 Uiso 0.50 1 calc PR B 1
C18' C 0.1026(16) 0.8751(15) 0.4975(15) 0.125(8) Uiso 0.50 1 d P B 2
H18D H 0.1138 0.8896 0.4477 0.188 Uiso 0.50 1 calc PR B 2
H18E H 0.1155 0.9192 0.5326 0.188 Uiso 0.50 1 calc PR B 2
H18F H 0.0455 0.8618 0.4925 0.188 Uiso 0.50 1 calc PR B 2
C19' C 0.1120(15) 0.7720(14) 0.5880(15) 0.124(7) Uiso 0.50 1 d P B 2
H19D H 0.0550 0.7857 0.5740 0.187 Uiso 0.50 1 calc PR B 2
H19E H 0.1348 0.7956 0.6372 0.187 Uiso 0.50 1 calc PR B 2
H19F H 0.1177 0.7150 0.5916 0.187 Uiso 0.50 1 calc PR B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
S6 Ag1 S7 136.92(5) . .
S6 Ag1 S1 119.67(4) . .
S7 Ag1 S1 102.77(5) . .
S6 Ag1 Ag2 111.31(3) . .
S7 Ag1 Ag2 100.96(3) . .
S1 Ag1 Ag2 50.19(3) . .
S6 Ag1 Ag4 81.91(3) . .
S7 Ag1 Ag4 89.81(4) . .
S1 Ag1 Ag4 111.41(3) . .
Ag2 Ag1 Ag4 61.228(13) . .
S6 Ag1 Ag3 49.99(3) . .
S7 Ag1 Ag3 152.07(4) . .
S1 Ag1 Ag3 83.08(3) . .
Ag2 Ag1 Ag3 61.628(15) . .
Ag4 Ag1 Ag3 62.981(14) . .
S1 Ag2 S4 138.36(5) . .
S1 Ag2 S8 115.86(5) . .
S4 Ag2 S8 104.83(4) . .
S1 Ag2 Ag1 54.24(3) . .
S4 Ag2 Ag1 147.91(4) . .
S8 Ag2 Ag1 79.79(3) . .
S1 Ag2 Ag4 113.72(4) . .
S4 Ag2 Ag4 98.88(3) . .
S8 Ag2 Ag4 49.50(3) . .
Ag1 Ag2 Ag4 59.490(15) . .
S1 Ag2 Ag5 88.61(3) . 2
S4 Ag2 Ag5 51.78(3) . 2
S8 Ag2 Ag5 155.33(4) . 2
Ag1 Ag2 Ag5 115.353(19) . 2
Ag4 Ag2 Ag5 119.547(19) . 2
S1 Ag2 Ag3 86.08(3) . .
S4 Ag2 Ag3 86.51(3) . .
S8 Ag2 Ag3 112.38(3) . .
Ag1 Ag2 Ag3 63.044(14) . .
Ag4 Ag2 Ag3 62.952(14) . .
Ag5 Ag2 Ag3 63.716(16) 2 .
S8 Ag4 S5 126.42(5) . .
S8 Ag4 S3 119.03(5) . .
S5 Ag4 S3 114.52(5) . .
S8 Ag4 Ag1 81.75(3) . .
S5 Ag4 Ag1 82.63(3) . .
S3 Ag4 Ag1 109.18(4) . .
S8 Ag4 Ag2 53.45(3) . .
S5 Ag4 Ag2 141.90(3) . .
S3 Ag4 Ag2 80.52(3) . .
Ag1 Ag4 Ag2 59.282(14) . .
S2 Ag3 S3 140.81(5) . .
S2 Ag3 O9' 84.9(4) . .
S3 Ag3 O9' 97.5(4) . .
S2 Ag3 O9 100.0(3) . .
S3 Ag3 O9 89.9(2) . .
O9' Ag3 O9 16.5(4) . .
S2 Ag3 S6 105.70(4) . .
S3 Ag3 S6 111.54(4) . .
O9' Ag3 S6 103.7(4) . .
O9 Ag3 S6 93.1(3) . .
S2 Ag3 Ag2 83.03(3) . .
S3 Ag3 Ag2 77.87(3) . .
O9' Ag3 Ag2 153.8(4) . .
O9 Ag3 Ag2 163.3(2) . .
S6 Ag3 Ag2 101.92(3) . .
S2 Ag3 Ag1 93.73(3) . .
S3 Ag3 Ag1 102.71(4) . .
O9' Ag3 Ag1 149.0(4) . .
O9 Ag3 Ag1 139.9(3) . .
S6 Ag3 Ag1 46.85(3) . .
Ag2 Ag3 Ag1 55.328(14) . .
S2 Ag5 S5 104.81(5) 2_545 .
S2 Ag5 S4 123.92(4) 2_545 2_545
S5 Ag5 S4 110.37(5) . 2_545
S2 Ag5 S7 109.86(5) 2_545 .
S5 Ag5 S7 107.56(4) . .
S4 Ag5 S7 99.49(5) 2_545 .
S2 Ag5 Ag2 83.11(3) 2_545 2_545
S5 Ag5 Ag2 101.45(4) . 2_545
S4 Ag5 Ag2 48.47(3) 2_545 2_545
S7 Ag5 Ag2 143.34(4) . 2_545
P1 S1 Ag2 109.48(7) . .
P1 S1 Ag1 96.41(6) . .
Ag2 S1 Ag1 75.57(4) . .
P1 S2 Ag3 102.80(6) . .
P1 S2 Ag5 104.80(7) . 2
Ag3 S2 Ag5 87.37(5) . 2
P2 S3 Ag3 110.07(7) . .
P2 S3 Ag4 104.37(7) . .
Ag3 S3 Ag4 84.65(4) . .
P2 S4 Ag2 101.08(6) . .
P2 S4 Ag5 110.68(7) . 2
Ag2 S4 Ag5 79.74(4) . 2
P3 S5 Ag4 93.86(6) . .
P3 S5 Ag5 101.58(6) . .
Ag4 S5 Ag5 104.32(5) . .
P3 S6 Ag1 106.31(6) . .
P3 S6 Ag3 103.22(6) . .
Ag1 S6 Ag3 83.16(4) . .
P4 S7 Ag1 102.69(6) . .
P4 S7 Ag5 115.92(8) . .
Ag1 S7 Ag5 82.33(4) . .
P4 S8 Ag4 108.47(7) . .
P4 S8 Ag2 109.78(7) . .
Ag4 S8 Ag2 77.05(4) . .
O2 P1 O1 108.9(2) . .
O2 P1 S2 103.39(19) . .
O1 P1 S2 109.84(18) . .
O2 P1 S1 110.8(2) . .
O1 P1 S1 102.71(15) . .
S2 P1 S1 120.95(8) . .
O3 P2 O4 107.8(2) . .
O3 P2 S4 103.63(18) . .
O4 P2 S4 110.35(17) . .
O3 P2 S3 110.57(17) . .
O4 P2 S3 103.30(17) . .
S4 P2 S3 120.76(8) . .
O5 P3 O6 108.5(2) . .
O5 P3 S5 110.86(18) . .
O6 P3 S5 104.20(16) . .
O5 P3 S6 104.11(16) . .
O6 P3 S6 109.62(17) . .
S5 P3 S6 119.31(8) . .
O8 P4 O71 85.3(6) . .
O8 P4 O73 114.8(6) . .
O71 P4 O73 33.8(6) . .
O8 P4 O72 113.0(5) . .
O71 P4 O72 29.3(5) . .
O73 P4 O72 24.3(5) . .
O8 P4 S7 109.7(2) . .
O71 P4 S7 117.3(5) . .
O73 P4 S7 90.7(5) . .
O72 P4 S7 112.9(4) . .
O8 P4 S8 103.5(2) . .
O71 P4 S8 113.1(5) . .
O73 P4 S8 117.8(5) . .
O72 P4 S8 96.4(4) . .
S7 P4 S8 120.60(8) . .
F1 P5 F5 105.7(15) . .
F1 P5 F3 86.8(7) . .
F5 P5 F3 91.1(9) . .
F1 P5 F4 88.8(8) . .
F5 P5 F4 91.1(10) . .
F3 P5 F4 175.5(7) . .
F1 P5 F6 84.7(9) . .
F5 P5 F6 169.3(15) . .
F3 P5 F6 92.2(10) . .
F4 P5 F6 86.4(8) . .
F1 P5 F2 171.9(15) . .
F5 P5 F2 81.6(12) . .
F3 P5 F2 89.6(9) . .
F4 P5 F2 94.6(10) . .
F6 P5 F2 88.2(14) . .
C1 O1 P1 123.0(4) . .
C3 O2 P1 125.9(5) . .
C5 O3 P2 119.9(5) . .
C7 O4 P2 121.7(4) . .
C9 O5 P3 121.7(4) . .
C11 O6 P3 121.2(4) . .
C131 O71 P4 109.7(16) . .
C132 O72 P4 125.5(9) . .
C133 O73 P4 114.4(12) . .
C15 O8 P4 126.7(5) . .
C17 O9 Ag3 130.6(9) . .
C17 O9' Ag3 132.9(12) . .
O1 C1 C2 109.1(6) . .
O1 C1 H1A 109.9 . .
C2 C1 H1A 109.9 . .
O1 C1 H1B 109.9 . .
C2 C1 H1B 109.9 . .
H1A C1 H1B 108.3 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
O2 C3 C4 106.6(10) . .
O2 C3 H3A 110.4 . .
C4 C3 H3A 110.4 . .
O2 C3 H3B 110.4 . .
C4 C3 H3B 110.4 . .
H3A C3 H3B 108.6 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C6' C5 O3 108.6(12) . .
C6' C5 C6 62(2) . .
O3 C5 C6 111(2) . .
C6' C5 H5A 51.4 . .
O3 C5 H5A 109.3 . .
C6 C5 H5A 109.3 . .
C6' C5 H5B 141.4 . .
O3 C5 H5B 109.3 . .
C6 C5 H5B 109.3 . .
H5A C5 H5B 108.0 . .
C6' C5 H5C 112.0 . .
O3 C5 H5C 109.8 . .
C6 C5 H5C 137.8 . .
H5A C5 H5C 63.8 . .
H5B C5 H5C 46.7 . .
C6' C5 H5D 106.6 . .
O3 C5 H5D 111.1 . .
C6 C5 H5D 46.8 . .
H5A C5 H5D 138.7 . .
H5B C5 H5D 65.6 . .
H5C C5 H5D 108.7 . .
C5 C6 H5D 38.8 . .
C5 C6 H6A 109.5 . .
H5D C6 H6A 98.7 . .
C5 C6 H6B 109.5 . .
H5D C6 H6B 79.1 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H5D C6 H6C 144.8 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C5 C6' H6'A 109.5 . .
C5 C6' H6'B 109.5 . .
H6'A C6' H6'B 109.5 . .
C5 C6' H6'C 109.5 . .
H6'A C6' H6'C 109.5 . .
H6'B C6' H6'C 109.5 . .
O4 C7 C8 108.8(6) . .
O4 C7 H7A 109.9 . .
C8 C7 H7A 109.9 . .
O4 C7 H7B 109.9 . .
C8 C7 H7B 109.9 . .
H7A C7 H7B 108.3 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C10 C9 O5 109.4(7) . .
C10 C9 H9A 109.8 . .
O5 C9 H9A 109.8 . .
C10 C9 H9B 109.8 . .
O5 C9 H9B 109.8 . .
H9A C9 H9B 108.2 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O6 C11 C12 109.2(6) . .
O6 C11 H11A 109.8 . .
C12 C11 H11A 109.8 . .
O6 C11 H11B 109.8 . .
C12 C11 H11B 109.8 . .
H11A C11 H11B 108.3 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O71 C131 C141 119(3) . .
O71 C131 H13A 107.5 . .
C141 C131 H13A 107.5 . .
O71 C131 H13B 107.5 . .
C141 C131 H13B 107.5 . .
H13A C131 H13B 107.0 . .
C131 C141 H14A 109.5 . .
C131 C141 H14B 109.5 . .
H14A C141 H14B 109.5 . .
C131 C141 H14C 109.5 . .
H14A C141 H14C 109.5 . .
H14B C141 H14C 109.5 . .
O72 C132 C142 99.8(12) . .
O72 C132 H13C 111.8 . .
C142 C132 H13C 111.8 . .
O72 C132 H13D 111.8 . .
C142 C132 H13D 111.8 . .
H13C C132 H13D 109.5 . .
C132 C142 H14D 109.5 . .
C132 C142 H14E 109.5 . .
H14D C142 H14E 109.5 . .
C132 C142 H14F 109.5 . .
H14D C142 H14F 109.5 . .
H14E C142 H14F 109.5 . .
O73 C133 C143 97.1(16) . .
O73 C133 H13E 112.3 . .
C143 C133 H13E 112.3 . .
O73 C133 H13F 112.3 . .
C143 C133 H13F 112.3 . .
H13E C133 H13F 109.9 . .
C133 C143 H14G 109.5 . .
C133 C143 H14H 109.5 . .
H14G C143 H14H 109.5 . .
C133 C143 H14I 109.5 . .
H14G C143 H14I 109.5 . .
H14H C143 H14I 109.5 . .
O8 C15 C16 116.3(9) . .
O8 C15 H15A 108.2 . .
C16 C15 H15A 108.2 . .
O8 C15 H15B 108.2 . .
C16 C15 H15B 108.2 . .
H15A C15 H15B 107.4 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O9' C17 O9 34.5(8) . .
O9' C17 C18 100.0(16) . .
O9 C17 C18 126.1(14) . .
O9' C17 C19' 140.2(16) . .
O9 C17 C19' 114.1(14) . .
C18 C17 C19' 118.4(16) . .
O9' C17 C19 119.8(15) . .
O9 C17 C19 105.6(13) . .
C18 C17 C19 127.0(16) . .
C19' C17 C19 26.0(13) . .
O9' C17 C18' 118.0(15) . .
O9 C17 C18' 132.6(13) . .
C18 C17 C18' 24.4(14) . .
C19' C17 C18' 101.7(15) . .
C19 C17 C18' 119.5(15) . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
C17 C18' H18D 109.5 . .
C17 C18' H18E 109.5 . .
H18D C18' H18E 109.5 . .
C17 C18' H18F 109.5 . .
H18D C18' H18F 109.5 . .
H18E C18' H18F 109.5 . .
C17 C19' H19D 109.5 . .
C17 C19' H19E 109.5 . .
H19D C19' H19E 109.5 . .
C17 C19' H19F 109.5 . .
H19D C19' H19F 109.5 . .
H19E C19' H19F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S6 2.4723(13) .
Ag1 S7 2.5174(14) .
Ag1 S1 2.6011(14) .
Ag1 Ag2 3.1042(7) .
Ag1 Ag4 3.1109(7) .
Ag1 Ag3 3.3644(7) .
Ag2 S1 2.4624(13) .
Ag2 S4 2.4978(13) .
Ag2 S8 2.6090(14) .
Ag2 Ag4 3.1651(7) .
Ag2 Ag5 3.2831(7) 2
Ag2 Ag3 3.3211(7) .
Ag4 S8 2.4696(14) .
Ag4 S5 2.5021(13) .
Ag4 S3 2.5331(14) .
Ag3 S2 2.4992(15) .
Ag3 S3 2.5004(15) .
Ag3 O9' 2.579(18) .
Ag3 O9 2.585(12) .
Ag3 S6 2.5952(13) .
Ag5 S2 2.5475(15) 2_545
Ag5 S5 2.5842(15) .
Ag5 S4 2.6212(14) 2_545
Ag5 S7 2.6232(15) .
Ag5 Ag2 3.2831(7) 2_545
S1 P1 2.0126(18) .
S2 P1 1.992(2) .
S2 Ag5 2.5475(15) 2
S3 P2 2.0072(18) .
S4 P2 1.9950(18) .
S4 Ag5 2.6212(14) 2
S5 P3 1.9975(19) .
S6 P3 2.0074(17) .
S7 P4 1.991(2) .
S8 P4 2.003(2) .
P1 O2 1.560(4) .
P1 O1 1.579(4) .
P2 O3 1.564(4) .
P2 O4 1.565(4) .
P3 O5 1.568(4) .
P3 O6 1.571(3) .
P4 O8 1.556(5) .
P4 O71 1.572(5) .
P4 O73 1.584(5) .
P4 O72 1.596(5) .
P5 F1 1.445(12) .
P5 F5 1.447(17) .
P5 F3 1.473(10) .
P5 F4 1.490(9) .
P5 F6 1.516(17) .
P5 F2 1.525(15) .
O1 C1 1.447(7) .
O2 C3 1.469(11) .
O3 C5 1.495(9) .
O4 C7 1.458(7) .
O5 C9 1.457(8) .
O6 C11 1.465(7) .
O71 C131 1.45(3) .
O72 C132 1.423(18) .
O73 C133 1.53(3) .
O8 C15 1.370(10) .
O9 C17 1.264(14) .
O9' C17 1.238(18) .
C1 C2 1.454(10) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 C4 1.484(9) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6' 1.41(2) .
C5 C6 1.527(10) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 H5C 0.9602 .
C5 H5D 0.9598 .
C6 H5D 1.1169 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C6' H6'A 0.9600 .
C6' H6'B 0.9600 .
C6' H6'C 0.9600 .
C7 C8 1.480(10) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 C10 1.418(12) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.469(9) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C131 C141 1.59(4) .
C131 H13A 0.9700 .
C131 H13B 0.9700 .
C141 H14A 0.9600 .
C141 H14B 0.9600 .
C141 H14C 0.9600 .
C132 C142 1.53(2) .
C132 H13C 0.9700 .
C132 H13D 0.9700 .
C142 H14D 0.9600 .
C142 H14E 0.9600 .
C142 H14F 0.9600 .
C133 C143 1.65(4) .
C133 H13E 0.9700 .
C133 H13F 0.9700 .
C143 H14G 0.9600 .
C143 H14H 0.9600 .
C143 H14I 0.9600 .
C15 C16 1.458(8) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.30(2) .
C17 C19' 1.46(3) .
C17 C19 1.54(3) .
C17 C18' 1.55(3) .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C18' H18D 0.9600 .
C18' H18E 0.9600 .
C18' H18F 0.9600 .
C19' H19D 0.9600 .
C19' H19E 0.9600 .
C19' H19F 0.9600 .
