#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/15/2201519.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2201519
loop_
_publ_author_name
'Charles S. Weinert'
'Phillip E. Fanwick'
'Ian P. Rothwell'
_publ_section_title
;
 A germanium--silver complex containing aGe---Ag bond,
 Ag[Ge(OC₆HPh₄-2,3,5,6)₃(AgOSO₂CF₃)]·4C₆H₆
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m718
_journal_page_last               m720
_journal_paper_doi               10.1107/S1600536802020585
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ag2 Ge1 (C F3 O3 S1) (C45 H29 O)3], 4C6 H6'
_chemical_formula_moiety         'C91 H63 Ag2 F3 Ge1 O6 S1, 4C6 H6'
_chemical_formula_sum            'C115 H87 Ag2 F3 Ge O6 S'
_chemical_formula_weight         1942.36
_chemical_name_common
;
silver[tris(2,3,5,6)-tetraphenylphenoxy)germanium(II) silver(I)
trifluorormethanesulfonate] tetrabenzene
;
_chemical_name_systematic
;
tris[μ-2,6-diphenylphenoxy(1-)-1:3κ²O,1\kC²](trifluoromethylsulfonato-
2\kO)disilvergermanium (Ag--Ge) tetrabenzene solvate
;
_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_type_scat_source
'International Tables for Crystallography (Vol C)'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.1511(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.9593(2)
_cell_length_b                   24.3433(3)
_cell_length_c                   26.9406(4)
_cell_measurement_reflns_used    63826
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.1
_cell_volume                     9148.4(2)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and PLUTON (Spek, 1991)'
_computing_publication_material  'CIF VAX in MolEN (Fair, 1990)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.9893
_diffrn_measured_fraction_theta_max 0.9893
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.060
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            63826
_diffrn_reflns_theta_full        27.9
_diffrn_reflns_theta_max         27.90
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    0.825
_exptl_absorpt_correction_T_max  0.8137
_exptl_absorpt_correction_T_min  0.5738
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.41
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             3976
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1153
_refine_ls_number_reflns         21401
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.039
_refine_ls_shift/su_max          0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0352P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.074
_reflns_number_gt                15451
_reflns_number_total             21443
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            mg6018.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18
times).

'_geom_bond_publ_flag' value 'NO' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (126 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18
times).

'_geom_bond_publ_flag' value 'NO' changed to 'no' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (126
times).

'_geom_angle_publ_flag' value 'YES' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (28
times).

'_geom_angle_publ_flag' value 'NO' changed to 'no' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (172 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9148.4(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C115 H87 Ag2 F3 Ge1 O6 S1'
_cod_database_code               2201519
_cod_database_fobs_code          2201519
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ag(1) -0.437150(15) 0.729384(9) -0.055894(8) 0.03858(6) Uani d . 1 . . Ag
Ag(2) -0.254135(15) 0.752632(8) 0.134525(8) 0.03497(6) Uani d . 1 . . Ag
Ge -0.355393(18) 0.739789(10) 0.026357(10) 0.02507(7) Uani d . 1 . . Ge
S(1) -0.57961(5) 0.71372(3) -0.16328(3) 0.04621(19) Uani d . 1 . . S
F(11) -0.59556(16) 0.62559(9) -0.21880(8) 0.0833(7) Uani d . 1 . . F
F(12) -0.46593(15) 0.67142(9) -0.22792(7) 0.0796(6) Uani d . 1 . . F
F(13) -0.48146(15) 0.62172(8) -0.16304(7) 0.0759(6) Uani d . 1 . . F
O(1) -0.30876(11) 0.80526(6) 0.05248(6) 0.0280(4) Uani d . 1 . . O
O(2) -0.24494(11) 0.70427(6) 0.04834(6) 0.0281(4) Uani d . 1 . . O
O(3) -0.41258(11) 0.72295(6) 0.08517(6) 0.0271(4) Uani d . 1 . . O
O(11) -0.49709(14) 0.73474(8) -0.13506(7) 0.0484(5) Uani d . 1 . . O
O(12) -0.65153(14) 0.69072(8) -0.13313(8) 0.0536(6) Uani d . 1 . . O
O(13) -0.61197(15) 0.74821(9) -0.20367(8) 0.0626(6) Uani d . 1 . . O
C(1) -0.5288(3) 0.65566(15) -0.19441(12) 0.0589(9) Uani d . 1 . . C
C(11) -0.26267(17) 0.84362(9) 0.02416(9) 0.0270(6) Uani d . 1 . . C
C(12) -0.16440(17) 0.85272(9) 0.03406(9) 0.0269(6) Uani d . 1 . . C
C(14) -0.16652(18) 0.91705(10) -0.03387(10) 0.0316(6) Uani d . 1 . . C
C(15) -0.26415(18) 0.91007(10) -0.04253(9) 0.0301(6) Uani d . 1 . . C
C(16) -0.31448(17) 0.87248(9) -0.01307(9) 0.0273(6) Uani d . 1 . . C
C(21) -0.22228(17) 0.65115(9) 0.03561(10) 0.0283(6) Uani d . 1 . . C
C(22) -0.21540(18) 0.61159(10) 0.07368(9) 0.0297(6) Uani d . 1 . . C
C(23) -0.19486(18) 0.55698(10) 0.06118(10) 0.0319(6) Uani d . 1 . . C
C(24) -0.18223(19) 0.54433(10) 0.01144(10) 0.0357(6) Uani d . 1 . . C
C(25) -0.18761(19) 0.58319(10) -0.02622(10) 0.0335(6) Uani d . 1 . . C
C(26) -0.20710(17) 0.63809(10) -0.01426(9) 0.0287(6) Uani d . 1 . . C
C(31) -0.50846(17) 0.73051(9) 0.09178(9) 0.0256(5) Uani d . 1 . . C
C(32) -0.53537(17) 0.76832(9) 0.12818(9) 0.0271(5) Uani d . 1 . . C
C(33) -0.63359(18) 0.77866(9) 0.13379(9) 0.0297(6) Uani d . 1 . . C
C(34) -0.69998(18) 0.75125(10) 0.10295(10) 0.0341(6) Uani d . 1 . . C
C(35) -0.67409(18) 0.71205(10) 0.06884(9) 0.0305(6) Uani d . 1 . . C
C(36) -0.57669(18) 0.70001(9) 0.06305(9) 0.0274(6) Uani d . 1 . . C
C(121) -0.11308(17) 0.82392(9) 0.07609(10) 0.0283(6) Uani d . 1 . . C
C(122) -0.14055(19) 0.83340(10) 0.12461(10) 0.0344(6) Uani d . 1 . . C
C(123) -0.0887(2) 0.81031(11) 0.16465(11) 0.0423(7) Uani d . 1 . . C
C(124) -0.0102(2) 0.77687(12) 0.15649(12) 0.0468(8) Uani d . 1 . . C
C(125) 0.01561(19) 0.76647(11) 0.10857(11) 0.0415(7) Uani d . 1 . . C
C(126) -0.03436(18) 0.79004(10) 0.06859(10) 0.0329(6) Uani d . 1 . . C
C(131) -0.01254(18) 0.90310(10) 0.01266(10) 0.0320(6) Uani d . 1 . . C
C(132) 0.0504(2) 0.89769(11) -0.02631(12) 0.0461(7) Uani d . 1 . . C
C(133) 0.1462(2) 0.91047(13) -0.01956(14) 0.0575(9) Uani d . 1 . . C
C(134) 0.1818(2) 0.92978(12) 0.02558(15) 0.0570(9) Uani d . 1 . . C
C(135) 0.1211(2) 0.93603(11) 0.06424(13) 0.0485(8) Uani d . 1 . . C
C(136) 0.0240(2) 0.92269(10) 0.05808(11) 0.0405(7) Uani d . 1 . . C
C(13]) -0.11609(18) 0.89009(10) 0.00439(10) 0.0301(6) Uani d . 1 . . C
C(151) -0.31313(18) 0.94474(10) -0.08139(10) 0.0318(6) Uani d . 1 . . C
C(152) -0.38866(19) 0.97946(10) -0.06989(11) 0.0374(7) Uani d . 1 . . C
C(153) -0.4292(2) 1.01414(11) -0.10560(12) 0.0465(8) Uani d . 1 . . C
C(154) -0.3962(2) 1.01494(12) -0.15280(12) 0.0521(8) Uani d . 1 . . C
C(155) -0.3220(2) 0.98093(12) -0.16497(12) 0.0531(8) Uani d . 1 . . C
C(156) -0.2801(2) 0.94613(11) -0.12935(11) 0.0417(7) Uani d . 1 . . C
C(161) -0.41960(17) 0.86299(9) -0.02090(10) 0.0302(6) Uani d . 1 . . C
C(162) -0.47898(19) 0.86559(10) 0.01938(11) 0.0383(7) Uani d . 1 . . C
C(163) -0.5765(2) 0.85451(12) 0.01340(13) 0.0504(8) Uani d . 1 . . C
C(164) -0.6150(2) 0.84099(12) -0.03258(13) 0.0515(8) Uani d . 1 . . C
C(165) -0.5577(2) 0.83903(11) -0.07269(12) 0.0460(8) Uani d . 1 . . C
C(166) -0.46046(19) 0.84945(10) -0.06719(10) 0.0351(6) Uani d . 1 . . C
C(221) -0.23030(19) 0.62806(10) 0.12642(10) 0.0320(6) Uani d . 1 . . C
C(222) -0.1652(2) 0.66382(10) 0.15035(10) 0.0351(6) Uani d . 1 . . C
C(223) -0.1739(2) 0.67710(11) 0.20047(10) 0.0437(7) Uani d . 1 . . C
C(224) -0.2487(2) 0.65500(11) 0.22679(11) 0.0468(8) Uani d . 1 . . C
C(225) -0.3128(2) 0.62024(11) 0.20302(11) 0.0458(8) Uani d . 1 . . C
C(226) -0.3037(2) 0.60620(11) 0.15330(10) 0.0370(7) Uani d . 1 . . C
C(231) -0.18686(19) 0.51165(10) 0.09811(10) 0.0365(6) Uani d . 1 . . C
C(232) -0.2278(2) 0.46088(11) 0.08615(12) 0.0471(8) Uani d . 1 . . C
C(233) -0.2206(2) 0.41717(13) 0.11860(14) 0.0592(9) Uani d . 1 . . C
C(234) -0.1741(2) 0.42394(13) 0.16424(13) 0.0591(9) Uani d . 1 . . C
C(235) -0.1337(2) 0.47355(13) 0.17712(12) 0.0545(9) Uani d . 1 . . C
C(236) -0.1390(2) 0.51703(11) 0.14422(11) 0.0434(7) Uani d . 1 . . C
C(251) -0.1702(2) 0.56540(10) -0.07811(10) 0.0357(7) Uani d . 1 . . C
C(252) -0.2268(2) 0.52388(11) -0.09964(11) 0.0467(8) Uani d . 1 . . C
C(253) -0.2110(3) 0.50626(13) -0.14840(12) 0.0599(10) Uani d . 1 . . C
C(254) -0.1396(3) 0.53070(14) -0.17460(13) 0.0607(10) Uani d . 1 . . C
C(255) -0.0834(2) 0.57141(13) -0.15360(12) 0.0550(9) Uani d . 1 . . C
C(256) -0.0988(2) 0.58885(12) -0.10571(11) 0.0426(7) Uani d . 1 . . C
C(261) -0.21245(18) 0.68182(9) -0.05287(9) 0.0279(6) Uani d . 1 . . C
C(262) -0.15895(18) 0.72959(10) -0.04672(10) 0.0338(6) Uani d . 1 . . C
C(263) -0.1646(2) 0.77096(11) -0.08177(11) 0.0434(7) Uani d . 1 . . C
C(264) -0.2233(2) 0.76537(11) -0.12411(11) 0.0446(7) Uani d . 1 . . C
C(265) -0.2765(2) 0.71775(11) -0.13106(10) 0.0396(7) Uani d . 1 . . C
C(266) -0.27169(18) 0.67656(10) -0.09585(9) 0.0315(6) Uani d . 1 . . C
C(321) -0.45985(17) 0.79780(10) 0.15834(9) 0.0280(6) Uani d . 1 . . C
C(322) -0.39520(18) 0.76959(10) 0.19015(10) 0.0321(6) Uani d . 1 . . C
C(323) -0.32616(19) 0.79805(11) 0.21823(10) 0.0391(7) Uani d . 1 . . C
C(324) -0.3193(2) 0.85466(12) 0.21432(11) 0.0433(7) Uani d . 1 . . C
C(325) -0.3837(2) 0.88288(11) 0.18382(11) 0.0406(7) Uani d . 1 . . C
C(326) -0.45349(19) 0.85499(10) 0.15621(10) 0.0334(6) Uani d . 1 . . C
C(331) -0.67162(19) 0.81503(10) 0.17295(10) 0.0338(6) Uani d . 1 . . C
C(332) -0.7462(2) 0.85098(11) 0.16131(12) 0.0435(7) Uani d . 1 . . C
C(333) -0.7877(2) 0.88189(12) 0.19834(14) 0.0547(9) Uani d . 1 . . C
C(334) -0.7561(2) 0.87684(13) 0.24687(14) 0.0594(10) Uani d . 1 . . C
C(335) -0.6820(2) 0.84084(13) 0.25913(12) 0.0526(8) Uani d . 1 . . C
C(336) -0.6399(2) 0.81035(11) 0.22236(11) 0.0408(7) Uani d . 1 . . C
C(351) -0.75579(18) 0.68144(10) 0.04349(10) 0.0332(6) Uani d . 1 . . C
C(352) -0.8156(2) 0.70700(12) 0.00831(11) 0.0444(7) Uani d . 1 . . C
C(353) -0.8978(2) 0.68105(13) -0.01027(12) 0.0519(8) Uani d . 1 . . C
C(354) -0.9221(2) 0.62978(13) 0.00671(12) 0.0506(8) Uani d . 1 . . C
C(355) -0.8636(2) 0.60396(12) 0.04167(12) 0.0466(8) Uani d . 1 . . C
C(356) -0.7801(2) 0.62924(11) 0.05941(11) 0.0389(7) Uani d . 1 . . C
C(361) -0.54512(17) 0.65618(9) 0.02874(10) 0.0282(6) Uani d . 1 . . C
C(362) -0.47681(19) 0.61772(10) 0.04516(10) 0.0332(6) Uani d . 1 . . C
C(363) -0.4458(2) 0.57634(10) 0.01416(11) 0.0401(7) Uani d . 1 . . C
C(364) -0.4825(2) 0.57319(11) -0.03420(11) 0.0437(7) Uani d . 1 . . C
C(365) -0.5492(2) 0.61123(11) -0.05137(11) 0.0400(7) Uani d . 1 . . C
C(366) -0.58054(18) 0.65251(10) -0.02018(9) 0.0304(6) Uani d . 1 . . C
C(614) 0.0247(4) 0.0205(3) 0.3152(2) 0.125(2) Uani d . 1 . . C
C(911) 0.1335(4) 0.0848(2) 0.2570(2) 0.0995(15) Uani d . 1 . . C
C(912) 0.1121(4) 0.1030(2) 0.3025(3) 0.127(2) Uani d . 1 . . C
C(913) 0.0582(5) 0.0709(4) 0.3325(3) 0.156(3) Uani d . 1 . . C
C(915) 0.0454(3) 0.00376(18) 0.2680(2) 0.0860(13) Uani d . 1 . . C
C(916) 0.0991(3) 0.03582(18) 0.23960(17) 0.0837(12) Uani d . 1 . . C
C(921) 0.0487(3) 0.60401(15) 0.22929(17) 0.0735(11) Uani d . 1 . . C
C(922) 0.1008(3) 0.62026(17) 0.19102(15) 0.0770(12) Uani d . 1 . . C
C(923) 0.1561(3) 0.66672(19) 0.19484(16) 0.0842(13) Uani d . 1 . . C
C(924) 0.1583(3) 0.69674(14) 0.23920(17) 0.0703(11) Uani d . 1 . . C
C(925) 0.1029(3) 0.67994(14) 0.27665(14) 0.0614(9) Uani d . 1 . . C
C(926) 0.0495(3) 0.63375(15) 0.27204(14) 0.0668(10) Uani d . 1 . . C
C(931) 0.2807(3) 0.49287(14) 0.69942(15) 0.0673(10) Uani d . 1 . . C
C(932) 0.1967(3) 0.46419(13) 0.69313(15) 0.0615(10) Uani d . 1 . . C
C(933) 0.1528(3) 0.45978(13) 0.64699(15) 0.0601(9) Uani d . 1 . . C
C(934) 0.1927(3) 0.48454(14) 0.60673(15) 0.0656(10) Uani d . 1 . . C
C(935) 0.2772(3) 0.51342(14) 0.61281(16) 0.0691(10) Uani d . 1 . . C
C(936) 0.3208(3) 0.51776(14) 0.65884(17) 0.0695(11) Uani d . 1 . . C
C(941) 0.0558(4) 0.84935(18) 0.82725(17) 0.0859(13) Uani d . 1 . . C
C(942) 0.0036(3) 0.8035(2) 0.81661(16) 0.0840(13) Uani d . 1 . . C
C(943) 0.0352(3) 0.75306(18) 0.83081(16) 0.0814(12) Uani d . 1 . . C
C(944) 0.1221(3) 0.74773(17) 0.85571(15) 0.0772(11) Uani d . 1 . . C
C(945) 0.1751(3) 0.7936(2) 0.86633(15) 0.0821(12) Uani d . 1 . . C
C(946) 0.1427(4) 0.8443(2) 0.85257(17) 0.0873(14) Uani d . 1 . . C
H(14) -0.1328 0.9411 -0.0548 0.038 Uiso calc R 1 . . H
H(24) -0.1693 0.5073 0.0029 0.043 Uiso calc R 1 . . H
H(34) -0.7660 0.7599 0.1054 0.041 Uiso calc R 1 . . H
H(122) -0.1948 0.8557 0.1304 0.041 Uiso calc R 1 . . H
H(123) -0.1071 0.8175 0.1976 0.051 Uiso calc R 1 . . H
H(124) 0.0254 0.7613 0.1838 0.056 Uiso calc R 1 . . H
H(125) 0.0683 0.7429 0.1029 0.050 Uiso calc R 1 . . H
H(126) -0.0148 0.7831 0.0358 0.039 Uiso calc R 1 . . H
H(132) 0.0268 0.8850 -0.0578 0.055 Uiso calc R 1 . . H
H(133) 0.1881 0.9059 -0.0462 0.069 Uiso calc R 1 . . H
H(134) 0.2478 0.9387 0.0299 0.068 Uiso calc R 1 . . H
H(135) 0.1454 0.9495 0.0953 0.058 Uiso calc R 1 . . H
H(136) -0.0173 0.9270 0.0850 0.049 Uiso calc R 1 . . H
H(152) -0.4125 0.9793 -0.0373 0.045 Uiso calc R 1 . . H
H(153) -0.4805 1.0376 -0.0972 0.056 Uiso calc R 1 . . H
H(154) -0.4244 1.0389 -0.1770 0.063 Uiso calc R 1 . . H
H(155) -0.2992 0.9812 -0.1978 0.064 Uiso calc R 1 . . H
H(156) -0.2284 0.9231 -0.1379 0.050 Uiso calc R 1 . . H
H(162) -0.4527 0.8750 0.0513 0.046 Uiso calc R 1 . . H
H(163) -0.6164 0.8563 0.0412 0.060 Uiso calc R 1 . . H
H(164) -0.6815 0.8330 -0.0366 0.062 Uiso calc R 1 . . H
H(165) -0.5849 0.8304 -0.1046 0.055 Uiso calc R 1 . . H
H(166) -0.4213 0.8474 -0.0952 0.042 Uiso calc R 1 . . H
H(222) -0.1145 0.6793 0.1324 0.042 Uiso calc R 1 . . H
H(223) -0.1289 0.7011 0.2165 0.052 Uiso calc R 1 . . H
H(224) -0.2553 0.6639 0.2608 0.056 Uiso calc R 1 . . H
H(225) -0.3644 0.6055 0.2208 0.055 Uiso calc R 1 . . H
H(226) -0.3481 0.5815 0.1378 0.044 Uiso calc R 1 . . H
H(232) -0.2613 0.4563 0.0551 0.057 Uiso calc R 1 . . H
H(233) -0.2476 0.3826 0.1096 0.071 Uiso calc R 1 . . H
H(234) -0.1700 0.3941 0.1869 0.071 Uiso calc R 1 . . H
H(235) -0.1020 0.4780 0.2087 0.065 Uiso calc R 1 . . H
H(236) -0.1098 0.5510 0.1531 0.052 Uiso calc R 1 . . H
H(252) -0.2761 0.5075 -0.0813 0.056 Uiso calc R 1 . . H
H(253) -0.2491 0.4778 -0.1631 0.072 Uiso calc R 1 . . H
H(254) -0.1292 0.5192 -0.2077 0.073 Uiso calc R 1 . . H
H(255) -0.0340 0.5876 -0.1720 0.066 Uiso calc R 1 . . H
H(256) -0.0600 0.6172 -0.0915 0.051 Uiso calc R 1 . . H
H(262) -0.1179 0.7339 -0.0180 0.041 Uiso calc R 1 . . H
H(263) -0.1281 0.8035 -0.0768 0.052 Uiso calc R 1 . . H
H(264) -0.2269 0.7939 -0.1482 0.053 Uiso calc R 1 . . H
H(265) -0.3164 0.7134 -0.1601 0.047 Uiso calc R 1 . . H
H(266) -0.3090 0.6442 -0.1008 0.038 Uiso calc R 1 . . H
H(322) -0.3986 0.7307 0.1925 0.039 Uiso calc R 1 . . H
H(323) -0.2835 0.7787 0.2402 0.047 Uiso calc R 1 . . H
H(324) -0.2703 0.8739 0.2326 0.052 Uiso calc R 1 . . H
H(325) -0.3801 0.9218 0.1818 0.049 Uiso calc R 1 . . H
H(326) -0.4977 0.8750 0.1355 0.040 Uiso calc R 1 . . H
H(332) -0.7692 0.8545 0.1278 0.052 Uiso calc R 1 . . H
H(333) -0.8384 0.9066 0.1899 0.066 Uiso calc R 1 . . H
H(334) -0.7847 0.8979 0.2720 0.071 Uiso calc R 1 . . H
H(335) -0.6601 0.8371 0.2928 0.063 Uiso calc R 1 . . H
H(336) -0.5888 0.7860 0.2310 0.049 Uiso calc R 1 . . H
H(352) -0.8000 0.7427 -0.0032 0.053 Uiso calc R 1 . . H
H(353) -0.9375 0.6987 -0.0348 0.062 Uiso calc R 1 . . H
H(354) -0.9790 0.6123 -0.0057 0.061 Uiso calc R 1 . . H
H(355) -0.8805 0.5687 0.0537 0.056 Uiso calc R 1 . . H
H(356) -0.7391 0.6106 0.0827 0.047 Uiso calc R 1 . . H
H(362) -0.4510 0.6199 0.0782 0.040 Uiso calc R 1 . . H
H(363) -0.3997 0.5503 0.0261 0.048 Uiso calc R 1 . . H
H(364) -0.4619 0.5449 -0.0556 0.052 Uiso calc R 1 . . H
H(365) -0.5738 0.6092 -0.0847 0.048 Uiso calc R 1 . . H
H(366) -0.6265 0.6784 -0.0324 0.036 Uiso calc R 1 . . H
H(614) -0.0122 -0.0023 0.3358 0.150 Uiso calc R 1 . . H
H(911) 0.1731 0.1064 0.2368 0.119 Uiso calc R 1 . . H
H(912) 0.1343 0.1379 0.3137 0.153 Uiso calc R 1 . . H
H(913) 0.0438 0.0831 0.3649 0.187 Uiso calc R 1 . . H
H(915) 0.0217 -0.0304 0.2556 0.103 Uiso calc R 1 . . H
H(916) 0.1134 0.0242 0.2070 0.100 Uiso calc R 1 . . H
H(921) 0.0111 0.5715 0.2265 0.088 Uiso calc R 1 . . H
H(922) 0.0993 0.5995 0.1612 0.092 Uiso calc R 1 . . H
H(923) 0.1925 0.6784 0.1677 0.101 Uiso calc R 1 . . H
H(924) 0.1979 0.7283 0.2430 0.084 Uiso calc R 1 . . H
H(925) 0.1016 0.7008 0.3064 0.074 Uiso calc R 1 . . H
H(926) 0.0122 0.6220 0.2989 0.080 Uiso calc R 1 . . H
H(931) 0.3113 0.4957 0.7314 0.081 Uiso calc R 1 . . H
H(932) 0.1689 0.4473 0.7209 0.074 Uiso calc R 1 . . H
H(933) 0.0947 0.4397 0.6428 0.072 Uiso calc R 1 . . H
H(934) 0.1620 0.4817 0.5748 0.079 Uiso calc R 1 . . H
H(935) 0.3051 0.5303 0.5850 0.083 Uiso calc R 1 . . H
H(936) 0.3788 0.5379 0.6631 0.083 Uiso calc R 1 . . H
H(941) 0.0325 0.8845 0.8173 0.103 Uiso calc R 1 . . H
H(942) -0.0562 0.8068 0.7989 0.101 Uiso calc R 1 . . H
H(943) -0.0028 0.7215 0.8235 0.098 Uiso calc R 1 . . H
H(944) 0.1452 0.7125 0.8655 0.093 Uiso calc R 1 . . H
H(945) 0.2355 0.7901 0.8835 0.099 Uiso calc R 1 . . H
H(946) 0.1800 0.8761 0.8604 0.105 Uiso calc R 1 . . H
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
O(11) Ag(1) Ge 169.03(5) yes
C(222) Ag(2) C(122) 112.03(9) yes
C(222) Ag(2) C(322) 115.17(9) yes
C(122) Ag(2) C(322) 115.72(8) yes
O(2) Ge O(3) 90.20(7) yes
O(2) Ge O(1) 90.21(7) yes
O(3) Ge O(1) 91.26(7) yes
O(2) Ge Ag(1) 126.36(5) yes
O(3) Ge Ag(1) 123.20(5) yes
O(1) Ge Ag(1) 125.05(5) yes
O(12) S(1) O(13) 116.91(13) yes
O(12) S(1) O(11) 113.69(13) yes
O(13) S(1) O(11) 114.37(13) yes
O(12) S(1) C(1) 104.73(15) yes
O(13) S(1) C(1) 102.95(15) yes
O(11) S(1) C(1) 101.67(14) yes
C(11) O(1) Ge 122.48(15) yes
C(21) O(2) Ge 123.82(14) yes
C(31) O(3) Ge 122.55(14) yes
S(1) O(11) Ag(1) 137.01(12) yes
F(11) C(1) F(13) 106.9(3) yes
F(11) C(1) F(12) 106.7(3) yes
F(13) C(1) F(12) 106.3(3) yes
F(11) C(1) S(1) 112.3(2) yes
F(13) C(1) S(1) 112.6(2) yes
F(12) C(1) S(1) 111.6(2) yes
O(1) C(11) C(16) 119.7(2) yes
O(1) C(11) C(12) 118.3(2) yes
C(16) C(11) C(12) 122.0(2) no
C(13) C(12) C(11) 118.8(2) no
C(13) C(12) C(121) 120.7(2) no
C(11) C(12) C(121) 120.5(2) no
C(15) C(14) C(13) 122.3(2) no
C(14) C(15) C(16) 119.4(2) no
C(14) C(15) C(151) 118.1(2) no
C(16) C(15) C(151) 122.4(2) no
C(11) C(16) C(15) 118.1(2) no
C(11) C(16) C(161) 120.1(2) no
C(15) C(16) C(161) 121.8(2) no
O(2) C(21) C(26) 119.7(2) no
O(2) C(21) C(22) 118.1(2) no
C(26) C(21) C(22) 122.2(2) no
C(23) C(22) C(21) 118.8(2) no
C(23) C(22) C(221) 121.2(2) no
C(21) C(22) C(221) 120.0(2) no
C(24) C(23) C(22) 118.3(2) no
C(24) C(23) C(231) 118.1(2) no
C(22) C(23) C(231) 123.6(2) no
C(25) C(24) C(23) 123.2(2) no
C(24) C(25) C(26) 119.1(2) no
C(24) C(25) C(251) 118.8(2) no
C(26) C(25) C(251) 122.1(2) no
C(25) C(26) C(21) 118.2(2) no
C(25) C(26) C(261) 121.7(2) no
C(21) C(26) C(261) 120.1(2) no
O(3) C(31) C(32) 117.8(2) no
O(3) C(31) C(36) 120.0(2) no
C(32) C(31) C(36) 122.2(2) no
C(31) C(32) C(33) 118.6(2) no
C(31) C(32) C(321) 119.6(2) no
C(33) C(32) C(321) 121.8(2) no
C(34) C(33) C(32) 118.7(2) no
C(34) C(33) C(331) 117.4(2) no
C(32) C(33) C(331) 123.8(2) no
C(35) C(34) C(33) 122.9(2) no
C(34) C(35) C(36) 119.7(2) no
C(34) C(35) C(351) 115.5(2) no
C(36) C(35) C(351) 124.5(2) no
C(35) C(36) C(31) 117.6(2) no
C(35) C(36) C(361) 121.9(2) no
C(31) C(36) C(361) 120.4(2) no
C(126) C(121) C(122) 118.6(2) no
C(126) C(121) C(12) 121.8(2) no
C(122) C(121) C(12) 119.5(2) no
C(123) C(122) C(121) 120.3(3) no
C(123) C(122) Ag(2) 85.11(16) no
C(121) C(122) Ag(2) 99.48(16) no
C(124) C(123) C(122) 120.2(3) no
C(125) C(124) C(123) 119.5(3) no
C(124) C(125) C(126) 120.7(3) no
C(125) C(126) C(121) 120.6(3) no
C(136) C(131) C(132) 118.1(3) no
C(136) C(131) C(13) 121.8(2) no
C(132) C(131) C(13) 120.1(3) no
C(133) C(132) C(131) 120.9(3) no
C(132) C(133) C(134) 120.6(3) no
C(135) C(134) C(133) 119.6(3) no
C(134) C(135) C(136) 120.4(3) no
C(131) C(136) C(135) 120.4(3) no
C(14) C(13) C(12) 119.2(2) no
C(14) C(13) C(131) 118.2(2) no
C(12) C(13) C(131) 122.6(2) no
C(156) C(151) C(152) 118.2(2) no
C(156) C(151) C(15) 120.5(2) no
C(152) C(151) C(15) 121.2(2) no
C(153) C(152) C(151) 120.5(3) no
C(154) C(153) C(152) 120.7(3) no
C(153) C(154) C(155) 119.7(3) no
C(154) C(155) C(156) 120.2(3) no
C(151) C(156) C(155) 120.7(3) no
C(166) C(161) C(162) 118.3(2) no
C(166) C(161) C(16) 122.1(2) no
C(162) C(161) C(16) 119.6(2) no
C(163) C(162) C(161) 120.6(3) no
C(164) C(163) C(162) 120.0(3) no
C(165) C(164) C(163) 120.0(3) no
C(164) C(165) C(166) 120.6(3) no
C(165) C(166) C(161) 120.5(3) no
C(226) C(221) C(222) 118.7(3) no
C(226) C(221) C(22) 121.7(2) no
C(222) C(221) C(22) 119.5(2) no
C(223) C(222) C(221) 120.7(3) no
C(223) C(222) Ag(2) 84.55(15) no
C(221) C(222) Ag(2) 98.52(16) no
C(224) C(223) C(222) 119.8(3) no
C(225) C(224) C(223) 119.3(3) no
C(224) C(225) C(226) 121.2(3) no
C(221) C(226) C(225) 120.4(3) no
C(236) C(231) C(232) 117.9(3) no
C(236) C(231) C(23) 123.2(2) no
C(232) C(231) C(23) 118.9(2) no
C(233) C(232) C(231) 121.2(3) no
C(232) C(233) C(234) 119.6(3) no
C(235) C(234) C(233) 120.4(3) no
C(234) C(235) C(236) 120.0(3) no
C(235) C(236) C(231) 120.8(3) no
C(256) C(251) C(252) 118.8(3) no
C(256) C(251) C(25) 121.8(2) no
C(252) C(251) C(25) 119.4(3) no
C(251) C(252) C(253) 120.2(3) no
C(254) C(253) C(252) 119.2(3) no
C(255) C(254) C(253) 120.9(3) no
C(254) C(255) C(256) 120.0(3) no
C(255) C(256) C(251) 120.9(3) no
C(262) C(261) C(266) 118.2(2) no
C(262) C(261) C(26) 120.2(2) no
C(266) C(261) C(26) 121.6(2) no
C(263) C(262) C(261) 120.8(3) no
C(262) C(263) C(264) 120.6(3) no
C(263) C(264) C(265) 119.4(3) no
C(266) C(265) C(264) 120.2(3) no
C(265) C(266) C(261) 120.8(2) no
C(326) C(321) C(322) 118.3(2) no
C(326) C(321) C(32) 120.2(2) no
C(322) C(321) C(32) 121.6(2) no
C(323) C(322) C(321) 120.5(2) no
C(323) C(322) Ag(2) 82.27(16) no
C(321) C(322) Ag(2) 102.33(17) no
C(324) C(323) C(322) 120.3(3) no
C(325) C(324) C(323) 119.7(3) no
C(324) C(325) C(326) 120.5(3) no
C(325) C(326) C(321) 120.8(3) no
C(332) C(331) C(336) 118.5(3) no
C(332) C(331) C(33) 119.9(2) no
C(336) C(331) C(33) 121.3(2) no
C(331) C(332) C(333) 120.5(3) no
C(334) C(333) C(332) 120.5(3) no
C(333) C(334) C(335) 119.7(3) no
C(334) C(335) C(336) 120.1(3) no
C(335) C(336) C(331) 120.8(3) no
C(352) C(351) C(356) 118.3(2) no
C(352) C(351) C(35) 121.0(2) no
C(356) C(351) C(35) 120.2(2) no
C(353) C(352) C(351) 120.7(3) no
C(354) C(353) C(352) 120.3(3) no
C(355) C(354) C(353) 119.7(3) no
C(354) C(355) C(356) 120.2(3) no
C(351) C(356) C(355) 120.8(3) no
C(366) C(361) C(362) 118.1(2) no
C(366) C(361) C(36) 122.0(2) no
C(362) C(361) C(36) 119.9(2) no
C(363) C(362) C(361) 121.4(3) no
C(364) C(363) C(362) 119.6(3) no
C(365) C(364) C(363) 120.0(3) no
C(364) C(365) C(366) 120.4(3) no
C(365) C(366) C(361) 120.6(2) no
C(915) C(614) C(913) 119.5(6) no
C(912) C(911) C(916) 120.9(5) no
C(911) C(912) C(913) 119.7(6) no
C(912) C(913) C(614) 119.5(6) no
C(916) C(915) C(614) 119.7(5) no
C(915) C(916) C(911) 120.6(5) no
C(922) C(921) C(926) 120.4(4) no
C(921) C(922) C(923) 120.3(4) no
C(922) C(923) C(924) 119.3(4) no
C(925) C(924) C(923) 118.8(4) no
C(926) C(925) C(924) 120.7(4) no
C(925) C(926) C(921) 120.5(4) no
C(932) C(931) C(936) 119.6(4) no
C(933) C(932) C(931) 120.3(4) no
C(932) C(933) C(934) 120.0(3) no
C(935) C(934) C(933) 120.0(4) no
C(936) C(935) C(934) 119.9(4) no
C(935) C(936) C(931) 120.3(4) no
C(942) C(941) C(946) 119.2(4) no
C(943) C(942) C(941) 121.3(4) no
C(942) C(943) C(944) 119.8(4) no
C(945) C(944) C(943) 119.3(4) no
C(946) C(945) C(944) 120.9(4) no
C(945) C(946) C(941) 119.6(4) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ag(1) O(11) 2.2654(19) yes
Ag(1) Ge 2.4672(3) yes
Ag(2) C(222) 2.522(2) yes
Ag(2) C(122) 2.546(2) yes
Ag(2) C(322) 2.552(3) yes
Ge O(2) 1.8458(16) yes
Ge O(3) 1.8467(16) yes
Ge O(1) 1.8507(16) yes
S(1) O(12) 1.429(2) yes
S(1) O(13) 1.434(2) yes
S(1) O(11) 1.450(2) yes
S(1) C(1) 1.802(4) yes
F(11) C(1) 1.338(4) yes
F(12) C(1) 1.339(4) yes
F(13) C(1) 1.339(4) yes
O(1) C(11) 1.380(3) yes
O(2) C(21) 1.378(3) yes
O(3) C(31) 1.369(3) yes
C(11) C(16) 1.403(3) no
C(11) C(12) 1.405(3) no
C(12) C(13) 1.400(3) no
C(12) C(121) 1.492(3) no
C(14) C(15) 1.384(3) no
C(14) C(13) 1.391(3) no
C(15) C(16) 1.415(3) no
C(15) C(151) 1.491(3) no
C(16) C(161) 1.493(3) no
C(21) C(26) 1.405(3) no
C(21) C(22) 1.407(3) no
C(22) C(23) 1.404(3) no
C(22) C(221) 1.498(3) no
C(23) C(24) 1.393(4) no
C(23) C(231) 1.487(3) no
C(24) C(25) 1.387(4) no
C(25) C(26) 1.404(3) no
C(25) C(251) 1.492(4) no
C(26) C(261) 1.488(3) no
C(31) C(32) 1.406(3) no
C(31) C(36) 1.415(3) no
C(32) C(33) 1.408(3) no
C(32) C(321) 1.491(3) no
C(33) C(34) 1.392(3) no
C(33) C(331) 1.490(3) no
C(34) C(35) 1.382(3) no
C(35) C(36) 1.405(3) no
C(35) C(351) 1.505(3) no
C(36) C(361) 1.489(3) no
C(121) C(126) 1.395(3) no
C(121) C(122) 1.395(4) no
C(122) C(123) 1.394(4) no
C(123) C(124) 1.389(4) no
C(124) C(125) 1.377(4) no
C(125) C(126) 1.385(4) no
C(131) C(136) 1.392(4) no
C(131) C(132) 1.401(4) no
C(131) C(13) 1.488(3) no
C(132) C(133) 1.378(4) no
C(133) C(134) 1.379(5) no
C(134) C(135) 1.375(4) no
C(135) C(136) 1.398(4) no
C(151) C(156) 1.388(4) no
C(151) C(152) 1.395(4) no
C(152) C(153) 1.385(4) no
C(153) C(154) 1.369(4) no
C(154) C(155) 1.376(4) no
C(155) C(156) 1.392(4) no
C(161) C(166) 1.392(4) no
C(161) C(162) 1.392(4) no
C(162) C(163) 1.391(4) no
C(163) C(164) 1.372(4) no
C(164) C(165) 1.370(4) no
C(165) C(166) 1.383(4) no
C(221) C(226) 1.383(4) no
C(221) C(222) 1.399(4) no
C(222) C(223) 1.398(4) no
C(223) C(224) 1.393(4) no
C(224) C(225) 1.373(4) no
C(225) C(226) 1.393(4) no
C(231) C(236) 1.394(4) no
C(231) C(232) 1.394(4) no
C(232) C(233) 1.378(4) no
C(233) C(234) 1.379(5) no
C(234) C(235) 1.372(4) no
C(235) C(236) 1.381(4) no
C(251) C(256) 1.389(4) no
C(251) C(252) 1.395(4) no
C(252) C(253) 1.407(4) no
C(253) C(254) 1.378(5) no
C(254) C(255) 1.373(5) no
C(255) C(256) 1.383(4) no
C(261) C(262) 1.389(3) no
C(261) C(266) 1.403(3) no
C(262) C(263) 1.381(4) no
C(263) C(264) 1.385(4) no
C(264) C(265) 1.386(4) no
C(265) C(266) 1.380(4) no
C(321) C(326) 1.396(3) no
C(321) C(322) 1.401(3) no
C(322) C(323) 1.388(4) no
C(323) C(324) 1.386(4) no
C(324) C(325) 1.379(4) no
C(325) C(326) 1.381(4) no
C(331) C(332) 1.387(4) no
C(331) C(336) 1.391(4) no
C(332) C(333) 1.393(4) no
C(333) C(334) 1.370(5) no
C(334) C(335) 1.385(4) no
C(335) C(336) 1.386(4) no
C(351) C(352) 1.387(4) no
C(351) C(356) 1.387(4) no
C(352) C(353) 1.387(4) no
C(353) C(354) 1.376(4) no
C(354) C(355) 1.375(4) no
C(355) C(356) 1.387(4) no
C(361) C(366) 1.393(3) no
C(361) C(362) 1.396(3) no
C(362) C(363) 1.388(4) no
C(363) C(364) 1.384(4) no
C(364) C(365) 1.380(4) no
C(365) C(366) 1.391(3) no
C(614) C(915) 1.376(7) no
C(614) C(913) 1.386(8) no
C(911) C(912) 1.346(7) no
C(911) C(916) 1.362(6) no
C(912) C(913) 1.370(9) no
C(915) C(916) 1.343(5) no
C(921) C(922) 1.343(5) no
C(921) C(926) 1.360(5) no
C(922) C(923) 1.371(6) no
C(923) C(924) 1.400(5) no
C(924) C(925) 1.357(5) no
C(925) C(926) 1.352(5) no
C(931) C(932) 1.369(5) no
C(931) C(936) 1.386(5) no
C(932) C(933) 1.370(5) no
C(933) C(934) 1.377(5) no
C(934) C(935) 1.377(5) no
C(935) C(936) 1.365(5) no
C(941) C(942) 1.358(6) no
C(941) C(946) 1.375(6) no
C(942) C(943) 1.354(5) no
C(943) C(944) 1.371(5) no
C(944) C(945) 1.364(6) no
C(945) C(946) 1.362(6) no
