#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/16/8101654.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_8101654
loop_
_publ_author_name
'Becker, B.'
'Chojnacki, J.'
'Konitz, A.'
'Wojnowski, W.'
_publ_section_title
;
Crystal structure of bis(triphenylphosphine)[O,O,
O-tris(1,1-dimethyl-ethyl)monothioorthosilicato-S]silver, 
C₄₈H₅₇AgO₃P₂SSi
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              697
_journal_page_last               698
_journal_volume                  213
_journal_year                    1998
_chemical_formula_sum            'C48 H57 Ag O3 P2 S Si'
_chemical_formula_weight         911.90
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.19(1)
_cell_angle_beta                 94.11(2)
_cell_angle_gamma                106.58(2)
_cell_formula_units_Z            2
_cell_length_a                   10.259(3)
_cell_length_b                   12.946(2)
_cell_length_c                   18.626(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2364.1(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.281
_refine_ls_R_factor_obs          0.0333
_refine_ls_wR_factor_obs         0.0898
_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 (61 time).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101654
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.181635(12) 0.672690(10) 0.184680(7) 0.03964(5) Uani 1 d . . .
P2 P 0.30569(4) 0.81290(3) 0.10279(2) 0.03904(9) Uani 1 d . . .
P3 P 0.21391(5) 0.49253(3) 0.18666(3) 0.04160(10) Uani 1 d . . .
S4 S 0.03014(5) 0.74383(5) 0.25363(3) 0.05346(12) Uani 1 d . . .
Si5 Si 0.15397(5) 0.78680(4) 0.34840(3) 0.04503(11) Uani 1 d . . .
O6 O 0.07231(15) 0.81389(14) 0.41461(8) 0.0599(4) Uani 1 d . . .
O7 O 0.21773(14) 0.68743(12) 0.36803(8) 0.0533(3) Uani 1 d . . .
O8 O 0.28587(16) 0.89295(12) 0.34473(9) 0.0605(4) Uani 1 d . . .
C9 C -0.0624(3) 0.7721(3) 0.43627(13) 0.0739(7) Uani 1 d . . .
C10 C -0.0541(4) 0.8022(4) 0.51588(15) 0.1178(15) Uani 1 d . . .
H10A H 0.0074 0.7702 0.5425 0.141 Uiso 1 d R . .
H10B H -0.0250 0.8789 0.5244 0.141 Uiso 1 d R . .
H10C H -0.1443 0.7731 0.5313 0.141 Uiso 1 d R . .
C11 C -0.1106(4) 0.6514(4) 0.4260(2) 0.1219(14) Uani 1 d . . .
H11A H -0.0498 0.6190 0.4529 0.146 Uiso 1 d R . .
H11B H -0.2013 0.6223 0.4407 0.146 Uiso 1 d R . .
H11C H -0.1097 0.6363 0.3755 0.146 Uiso 1 d R . .
C12 C -0.1541(3) 0.8252(4) 0.39327(18) 0.1126(14) Uani 1 d . . .
H12A H -0.1538 0.8091 0.3429 0.135 Uiso 1 d R . .
H12B H -0.2446 0.7961 0.4083 0.135 Uiso 1 d R . .
H12C H -0.1253 0.9019 0.4014 0.135 Uiso 1 d R . .
C13 C 0.3165(2) 0.6742(2) 0.42356(13) 0.0611(5) Uani 1 d . . .
C14 C 0.2994(4) 0.7231(4) 0.49452(16) 0.1222(15) Uani 1 d . . .
H14A H 0.3132 0.7994 0.4911 0.147 Uiso 1 d R . .
H14B H 0.2085 0.6893 0.5077 0.147 Uiso 1 d R . .
H14C H 0.3640 0.7096 0.5305 0.147 Uiso 1 d R . .
C15 C 0.4562(3) 0.7255(4) 0.4003(2) 0.1155(14) Uani 1 d . . .
H15A H 0.4693 0.8018 0.3973 0.139 Uiso 1 d R . .
H15B H 0.5242 0.7122 0.4342 0.139 Uiso 1 d R . .
H15C H 0.4639 0.6965 0.3538 0.139 Uiso 1 d R . .
C16 C 0.2934(5) 0.5541(3) 0.4277(2) 0.1295(17) Uani 1 d . . .
H16A H 0.3059 0.5255 0.3819 0.155 Uiso 1 d R . .
H16B H 0.3580 0.5404 0.4635 0.155 Uiso 1 d R . .
H16C H 0.2025 0.5201 0.4408 0.155 Uiso 1 d R . .
C17 C 0.3050(3) 1.0066(2) 0.35541(16) 0.0737(7) Uani 1 d . . .
C18 C 0.3131(4) 1.0328(3) 0.43480(19) 0.0973(10) Uani 1 d . . .
H18A H 0.2266 0.9984 0.4531 0.117 Uiso 1 d R . .
H18B H 0.3828 1.0080 0.4602 0.117 Uiso 1 d R . .
H18C H 0.3337 1.1095 0.4415 0.117 Uiso 1 d R . .
C19 C 0.1902(5) 1.0392(3) 0.3161(2) 0.1157(13) Uani 1 d . . .
H19A H 0.1068 1.0035 0.3370 0.139 Uiso 1 d R . .
H19B H 0.2058 1.1159 0.3197 0.139 Uiso 1 d R . .
H19C H 0.1837 1.0174 0.2663 0.139 Uiso 1 d R . .
C20 C 0.4395(4) 1.0614(3) 0.3244(3) 0.1295(17) Uani 1 d . . .
H20A H 0.5105 1.0399 0.3512 0.155 Uiso 1 d R . .
H20B H 0.4359 1.0399 0.2747 0.155 Uiso 1 d R . .
H20C H 0.4581 1.1383 0.3281 0.155 Uiso 1 d R . .
C21 C 0.26188(17) 0.93973(13) 0.10274(10) 0.0404(3) Uani 1 d . . .
C22 C 0.1250(2) 0.93526(16) 0.09708(15) 0.0593(5) Uani 1 d . . .
H22A H 0.0571 0.8666 0.0971 0.067(7) Uiso 1 d R . .
C23 C 0.0867(2) 1.02942(18) 0.08956(16) 0.0655(6) Uani 1 d . . .
H23A H -0.0083 1.0253 0.0838 0.091(9) Uiso 1 d R . .
C24 C 0.1837(2) 1.12727(16) 0.08941(13) 0.0591(5) Uani 1 d . . .
H24A H 0.1579 1.1927 0.0844 0.072(7) Uiso 1 d R . .
C25 C 0.3195(2) 1.13257(15) 0.09815(14) 0.0589(5) Uani 1 d . . .
H25A H 0.3888 1.2005 0.0986 0.059(7) Uiso 1 d R . .
C26 C 0.3578(2) 1.03864(15) 0.10464(12) 0.0512(4) Uani 1 d . . .
H26A H 0.4529 1.0426 0.1099 0.077(8) Uiso 1 d R . .
C27 C 0.48536(17) 0.84970(13) 0.13427(10) 0.0412(3) Uani 1 d . . .
C28 C 0.58904(19) 0.85238(16) 0.08960(12) 0.0506(4) Uani 1 d . . .
H28A H 0.5688 0.8433 0.0384 0.060(6) Uiso 1 d R . .
C29 C 0.7219(2) 0.87248(19) 0.11827(15) 0.0614(5) Uani 1 d . . .
H29A H 0.7921 0.8700 0.0875 0.064(7) Uiso 1 d R . .
C30 C 0.7545(2) 0.8923(2) 0.19076(16) 0.0693(6) Uani 1 d . . .
H30A H 0.8482 0.9078 0.2089 0.066(7) Uiso 1 d R . .
C31 C 0.6518(3) 0.8912(2) 0.23579(15) 0.0687(6) Uani 1 d . . .
H31A H 0.6752 0.9071 0.2863 0.080(8) Uiso 1 d R . .
C32 C 0.5175(2) 0.86847(19) 0.20757(12) 0.0560(5) Uani 1 d . . .
H32A H 0.4455 0.8642 0.2386 0.072(7) Uiso 1 d R . .
C33 C 0.30231(17) 0.78088(13) 0.00734(10) 0.0407(3) Uani 1 d . . .
C34 C 0.3143(2) 0.68060(16) -0.01315(12) 0.0516(4) Uani 1 d . . .
H34A H 0.3211 0.6292 0.0229 0.054(6) Uiso 1 d R . .
C35 C 0.3107(2) 0.65132(19) -0.08456(13) 0.0606(5) Uani 1 d . . .
H35A H 0.3228 0.5833 -0.0983 0.075(8) Uiso 1 d R . .
C36 C 0.2921(2) 0.7222(2) -0.13786(13) 0.0645(6) Uani 1 d . . .
H36A H 0.2842 0.7025 -0.1881 0.085(9) Uiso 1 d R . .
C37 C 0.2793(2) 0.82051(19) -0.11831(12) 0.0620(5) Uani 1 d . . .
H37A H 0.2709 0.8703 -0.1552 0.084(9) Uiso 1 d R . .
C38 C 0.2845(2) 0.85062(16) -0.04671(11) 0.0508(4) Uani 1 d . . .
H38A H 0.2743 0.9200 -0.0348 0.063(7) Uiso 1 d R . .
C39 C 0.3821(2) 0.48987(15) 0.22303(11) 0.0491(4) Uani 1 d . . .
C40 C 0.4076(3) 0.4036(2) 0.25890(17) 0.0754(7) Uani 1 d . . .
H40A H 0.3343 0.3421 0.2697 0.069(7) Uiso 1 d R . .
C41 C 0.5407(3) 0.4068(3) 0.2821(2) 0.0996(11) Uani 1 d . . .
H41A H 0.5594 0.3467 0.3064 0.099(10) Uiso 1 d R . .
C42 C 0.6486(3) 0.4954(3) 0.26825(19) 0.0870(9) Uani 1 d . . .
H42A H 0.7398 0.4977 0.2855 0.104(11) Uiso 1 d R . .
C43 C 0.6240(2) 0.5798(2) 0.23375(17) 0.0741(7) Uani 1 d . . .
H43A H 0.6976 0.6412 0.2230 0.079(8) Uiso 1 d R . .
C44 C 0.4916(2) 0.57828(18) 0.21155(14) 0.0607(5) Uani 1 d . . .
H44A H 0.4750 0.6393 0.1875 0.076(8) Uiso 1 d R . .
C45 C 0.09042(19) 0.39503(15) 0.23618(10) 0.0461(4) Uani 1 d . . .
C46 C 0.0615(3) 0.28419(17) 0.22567(14) 0.0614(5) Uani 1 d . . .
H46A H 0.1062 0.2563 0.1898 0.060(7) Uiso 1 d R . .
C47 C -0.0348(3) 0.2148(2) 0.26547(15) 0.0722(7) Uani 1 d . . .
H47A H -0.0497 0.1383 0.2614 0.097(10) Uiso 1 d R . .
C48 C -0.1013(3) 0.2541(2) 0.31503(15) 0.0726(7) Uani 1 d . . .
H48A H -0.1745 0.2062 0.3384 0.092(9) Uiso 1 d R . .
C49 C -0.0727(3) 0.3639(2) 0.32605(14) 0.0712(6) Uani 1 d . . .
H49A H -0.1139 0.3910 0.3638 0.069(7) Uiso 1 d R . .
C50 C 0.0225(2) 0.43486(18) 0.28659(12) 0.0556(5) Uani 1 d . . .
H50A H 0.0366 0.5111 0.2922 0.065(7) Uiso 1 d R . .
C51 C 0.20095(18) 0.43066(13) 0.09722(10) 0.0423(3) Uani 1 d . . .
C52 C 0.0755(2) 0.40540(18) 0.05678(12) 0.0539(4) Uani 1 d . . .
H52A H -0.0027 0.4125 0.0795 0.070(7) Uiso 1 d R . .
C53 C 0.0638(2) 0.36973(19) -0.01378(13) 0.0615(5) Uani 1 d . . .
H53A H -0.0231 0.3542 -0.0408 0.087(9) Uiso 1 d R . .
C54 C 0.1752(3) 0.35740(17) -0.04596(13) 0.0607(5) Uani 1 d . . .
H54A H 0.1650 0.3311 -0.0949 0.066(7) Uiso 1 d R . .
C55 C 0.2991(2) 0.38077(17) -0.00660(13) 0.0585(5) Uani 1 d . . .
H55A H 0.3769 0.3732 -0.0294 0.076(8) Uiso 1 d R . .
C56 C 0.3125(2) 0.41740(15) 0.06409(12) 0.0496(4) Uani 1 d . . .
H56A H 0.3993 0.4325 0.0911 0.053(6) Uiso 1 d R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 P3 2.4475(6) . yes
Ag1 S4 2.4512(7) . yes
Ag1 P2 2.4939(7) . yes
P2 C33 1.8199(19) . yes
P2 C27 1.8195(19) . yes
P2 C21 1.8218(17) . yes
P3 C39 1.818(2) . yes
P3 C45 1.8197(19) . yes
P3 C51 1.8258(19) . yes
S4 Si5 2.0755(9) . yes
Si5 O6 1.6305(15) . yes
Si5 O7 1.6327(15) . yes
Si5 O8 1.6361(17) . yes
O6 C9 1.421(3) . yes
O7 C13 1.441(2) . yes
O8 C17 1.439(3) . yes
C9 C11 1.505(5) . yes
C9 C12 1.505(4) . yes
C9 C10 1.522(4) . yes
C13 C15 1.493(4) . yes
C13 C14 1.507(4) . yes
C13 C16 1.507(4) . yes
C17 C19 1.505(4) . yes
C17 C18 1.507(4) . yes
C17 C20 1.517(4) . yes
C21 C26 1.373(2) . yes
C21 C22 1.385(3) . yes
C22 C23 1.388(3) . yes
C23 C24 1.370(3) . yes
C24 C25 1.372(3) . yes
C25 C26 1.384(3) . yes
C27 C32 1.385(3) . yes
C27 C28 1.390(2) . yes
C28 C29 1.379(3) . yes
C29 C30 1.373(4) . yes
C30 C31 1.390(4) . yes
C31 C32 1.387(3) . yes
C33 C38 1.391(2) . yes
C33 C34 1.393(3) . yes
C34 C35 1.377(3) . yes
C35 C36 1.394(3) . yes
C36 C37 1.367(4) . yes
C37 C38 1.381(3) . yes
C39 C40 1.381(3) . yes
C39 C44 1.386(3) . yes
C40 C41 1.391(4) . yes
C41 C42 1.388(5) . yes
C42 C43 1.345(4) . yes
C43 C44 1.385(3) . yes
C45 C50 1.389(3) . yes
C45 C46 1.390(3) . yes
C46 C47 1.391(3) . yes
C47 C48 1.364(4) . yes
C48 C49 1.379(4) . yes
C49 C50 1.391(3) . yes
C51 C56 1.390(2) . yes
C51 C52 1.396(3) . yes
C52 C53 1.377(3) . yes
C53 C54 1.375(3) . yes
C54 C55 1.375(3) . yes
C55 C56 1.382(3) . yes
