#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/80/2008015.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_2008015
loop_
_publ_author_name
'Stammler, Hans-Georg'
'Jutzi, Peter'
'Wieland, Wolfram'
'Neumann, Beate'
_publ_section_title
(Tributylphosphine-P)[1,2,4-tris(trimethylsilyl)cyclopentadienyl]silver(I)
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9800064
_journal_paper_doi               10.1107/S0108270198099168
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          '[Ag (C14 H29 Si3) (C12 H27 P1)]'
_chemical_formula_sum            'C26 H56 Ag P Si3'
_chemical_formula_weight         591.82
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                111.06(3)
_cell_angle_beta                 92.19(4)
_cell_angle_gamma                106.20(4)
_cell_formula_units_Z            4
_cell_length_a                   9.848(5)
_cell_length_b                   17.539(9)
_cell_length_c                   21.950(9)
_cell_measurement_reflns_used    29
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      19.5
_cell_measurement_theta_min      4.0
_cell_volume                     3357(3)
_computing_data_reduction        'SHELXTL-Plus (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Siemens P2₁'
_diffrn_measurement_method       ω
_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  0.042
_diffrn_reflns_av_sigmaI/netI    0.1159
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            12635
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.767
_exptl_absorpt_correction_T_max  0.858
_exptl_absorpt_correction_T_min  0.760
_exptl_absorpt_correction_type   '\y scans (North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.053
_refine_diff_density_min         -1.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.211
_refine_ls_goodness_of_fit_obs   1.380
_refine_ls_hydrogen_treatment    'H atoms riding'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     583
_refine_ls_number_reflns         11803
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.552
_refine_ls_restrained_S_obs      1.380
_refine_ls_R_factor_all          0.148
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0110P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.125
_refine_ls_wR_factor_obs         0.082
_reflns_number_observed          6539
_reflns_number_total             11877
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            qb0054.cif
_cod_data_source_block           wolf1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (58 times).

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

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (58
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (130 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0110P)^2^] where P = (Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.0110P)^2^]
where P = (Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P-1  '
_cod_database_code               2008015
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Ag1 0.06849(5) 0.33431(3) 0.24693(2) 0.0434(2) Uani d . 1 . Ag
Si1 -0.1688(2) 0.09109(10) 0.11307(8) 0.0375(4) Uani d . 1 . Si
Si2 -0.2531(2) 0.36110(10) 0.33795(8) 0.0334(4) Uani d . 1 . Si
Si3 0.0747(2) 0.29552(10) 0.38849(7) 0.0313(4) Uani d . 1 . Si
P1 0.1857(2) 0.43316(10) 0.20348(8) 0.0378(4) Uani d . 1 . P
C1 -0.1429(5) 0.1686(3) 0.1988(3) 0.0289(14) Uani d . 1 . C
C2 -0.2278(6) 0.2211(3) 0.2257(3) 0.0322(14) Uani d . 1 . C
H2A -0.3138(6) 0.2181(3) 0.2025(3) 0.039 Uiso calc R 1 . H
C3 -0.1693(5) 0.2793(3) 0.2919(2) 0.0259(13) Uani d . 1 . C
C4 -0.0412(5) 0.2613(3) 0.3090(2) 0.0239(13) Uani d . 1 . C
C5 -0.0291(6) 0.1931(3) 0.2501(2) 0.0287(14) Uani d . 1 . C
H5A 0.0458(6) 0.1682(3) 0.2463(2) 0.034 Uiso calc R 1 . H
C6 -0.3523(6) 0.0693(5) 0.0725(3) 0.092(3) Uani d . 1 . C
H6A -0.3597(16) 0.1211(11) 0.067(2) 0.138 Uiso calc R 1 . H
H6B -0.4221(7) 0.054(3) 0.1000(12) 0.138 Uiso calc R 1 . H
H6C -0.372(2) 0.022(2) 0.0291(11) 0.138 Uiso calc R 1 . H
C7 -0.0366(6) 0.1367(3) 0.0669(3) 0.048(2) Uani d . 1 . C
H7A -0.050(2) 0.1901(12) 0.0668(14) 0.073 Uiso calc R 1 . H
H7B -0.051(2) 0.0952(9) 0.0213(5) 0.073 Uiso calc R 1 . H
H7C 0.0605(6) 0.149(2) 0.0882(10) 0.073 Uiso calc R 1 . H
C8 -0.1439(7) -0.0109(3) 0.1108(3) 0.062(2) Uani d . 1 . C
H8A -0.059(2) 0.0021(3) 0.1420(14) 0.093 Uiso calc R 1 . H
H8B -0.132(4) -0.0447(12) 0.0661(5) 0.093 Uiso calc R 1 . H
H8C -0.2280(19) -0.0439(12) 0.1233(19) 0.093 Uiso calc R 1 . H
C9 -0.3063(6) 0.3517(4) 0.4162(3) 0.050(2) Uani d . 1 . C
H9A -0.2215(8) 0.359(2) 0.4453(7) 0.075 Uiso calc R 1 . H
H9B -0.376(3) 0.2948(9) 0.4062(3) 0.075 Uiso calc R 1 . H
H9C -0.350(3) 0.3963(14) 0.4384(9) 0.075 Uiso calc R 1 . H
C10 -0.1346(6) 0.4736(3) 0.3570(3) 0.047(2) Uani d . 1 . C
H10A -0.112(3) 0.4803(7) 0.3157(3) 0.071 Uiso calc R 1 . H
H10B -0.0457(16) 0.4848(8) 0.3851(14) 0.071 Uiso calc R 1 . H
H10C -0.1839(15) 0.5145(3) 0.3802(15) 0.071 Uiso calc R 1 . H
C11 -0.4190(6) 0.3453(4) 0.2846(3) 0.054(2) Uani d . 1 . C
H11A -0.3941(7) 0.353(2) 0.2439(8) 0.081 Uiso calc R 1 . H
H11B -0.466(2) 0.3876(15) 0.3083(7) 0.081 Uiso calc R 1 . H
H11C -0.4846(17) 0.2871(8) 0.2735(14) 0.081 Uiso calc R 1 . H
C12 0.2452(6) 0.2707(4) 0.3715(3) 0.052(2) Uani d . 1 . C
H12A 0.2886(19) 0.2967(19) 0.3413(13) 0.078 Uiso calc R 1 . H
H12B 0.2251(8) 0.2082(4) 0.3512(15) 0.078 Uiso calc R 1 . H
H12C 0.3113(15) 0.2941(19) 0.4130(3) 0.078 Uiso calc R 1 . H
C13 -0.0118(6) 0.2344(4) 0.4386(3) 0.050(2) Uani d . 1 . C
H13A -0.020(3) 0.1735(5) 0.4160(9) 0.075 Uiso calc R 1 . H
H13B -0.1072(16) 0.2401(18) 0.4438(14) 0.075 Uiso calc R 1 . H
H13C 0.047(2) 0.2575(15) 0.4821(7) 0.075 Uiso calc R 1 . H
C14 0.1223(6) 0.4121(3) 0.4411(3) 0.051(2) Uani d . 1 . C
H14A 0.171(3) 0.4460(3) 0.4167(7) 0.077 Uiso calc R 1 . H
H14B 0.186(3) 0.4251(5) 0.4814(8) 0.077 Uiso calc R 1 . H
H14C 0.0350(7) 0.4265(5) 0.4528(14) 0.077 Uiso calc R 1 . H
C15 0.3609(6) 0.5069(4) 0.2499(3) 0.044(2) Uani d . 1 . C
H15A 0.4362(6) 0.4842(4) 0.2289(3) 0.053 Uiso calc R 1 . H
H15B 0.3742(6) 0.5633(4) 0.2466(3) 0.053 Uiso calc R 1 . H
C16 0.3811(6) 0.5206(3) 0.3220(3) 0.037(2) Uani d . 1 . C
H16A 0.3042(6) 0.5416(3) 0.3429(3) 0.045 Uiso calc R 1 . H
H16B 0.3716(6) 0.4646(3) 0.3255(3) 0.045 Uiso calc R 1 . H
C17 0.5241(6) 0.5837(4) 0.3594(3) 0.045(2) Uani d . 1 . C
H17A 0.5315(6) 0.6404(4) 0.3577(3) 0.054 Uiso calc R 1 . H
H17B 0.6008(6) 0.5641(4) 0.3371(3) 0.054 Uiso calc R 1 . H
C18 0.5480(7) 0.5946(4) 0.4313(3) 0.068(2) Uani d . 1 . C
H18A 0.6438(17) 0.635(2) 0.4523(6) 0.102 Uiso calc R 1 . H
H18B 0.540(4) 0.5387(6) 0.4335(3) 0.102 Uiso calc R 1 . H
H18C 0.476(3) 0.618(2) 0.4544(6) 0.102 Uiso calc R 1 . H
C19 0.2234(6) 0.3844(3) 0.1202(3) 0.042(2) Uani d . 1 . C
H19A 0.1318(6) 0.3527(3) 0.0896(3) 0.050 Uiso calc R 1 . H
H19B 0.2773(6) 0.4305(3) 0.1063(3) 0.050 Uiso calc R 1 . H
C20 0.3088(6) 0.3233(4) 0.1150(3) 0.044(2) Uani d . 1 . C
H20A 0.4024(6) 0.3562(4) 0.1439(3) 0.052 Uiso calc R 1 . H
H20B 0.2576(6) 0.2799(4) 0.1321(3) 0.052 Uiso calc R 1 . H
C21 0.3353(7) 0.2768(4) 0.0460(3) 0.060(2) Uani d . 1 . C
H21A 0.3871(7) 0.3197(4) 0.0286(3) 0.072 Uiso calc R 1 . H
H21B 0.2422(7) 0.2431(4) 0.0169(3) 0.072 Uiso calc R 1 . H
C22 0.4218(7) 0.2166(4) 0.0440(3) 0.076(2) Uani d . 1 . C
H22A 0.429(4) 0.185(2) -0.0019(4) 0.114 Uiso calc R 1 . H
H22B 0.374(3) 0.1763(18) 0.0638(19) 0.114 Uiso calc R 1 . H
H22C 0.5179(16) 0.2503(5) 0.0689(17) 0.114 Uiso calc R 1 . H
C23 0.0849(6) 0.5037(3) 0.1992(3) 0.048(2) Uani d . 1 . C
H23A 0.0774(6) 0.5398(3) 0.2447(3) 0.057 Uiso calc R 1 . H
H23B 0.1383(6) 0.5426(3) 0.1788(3) 0.057 Uiso calc R 1 . H
C24 -0.0643(6) 0.4566(4) 0.1601(3) 0.049(2) Uani d . 1 . C
H24A -0.1093(6) 0.4083(4) 0.1735(3) 0.058 Uiso calc R 1 . H
H24B -0.0563(6) 0.4317(4) 0.1127(3) 0.058 Uiso calc R 1 . H
C25 -0.1625(7) 0.5120(4) 0.1686(3) 0.062(2) Uani d . 1 . C
H25A -0.1834(7) 0.5292(4) 0.2145(3) 0.074 Uiso calc R 1 . H
H25B -0.1115(7) 0.5651(4) 0.1621(3) 0.074 Uiso calc R 1 . H
C26 -0.2998(7) 0.4685(4) 0.1224(4) 0.081(2) Uani d . 1 . C
H26A -0.360(2) 0.5064(12) 0.1324(15) 0.121 Uiso calc R 1 . H
H26B -0.350(2) 0.4148(15) 0.1274(16) 0.121 Uiso calc R 1 . H
H26C -0.2807(7) 0.456(3) 0.0769(4) 0.121 Uiso calc R 1 . H
Ag1' -0.37219(6) 0.11801(3) 0.71016(3) 0.0654(2) Uani d . 1 . Ag
Si1' -0.1319(2) 0.24686(9) 0.62597(7) 0.0303(4) Uani d . 1 . Si
Si2' -0.1335(2) 0.26799(12) 0.89333(8) 0.0464(5) Uani d . 1 . Si
Si3' -0.5011(2) 0.28463(10) 0.83023(8) 0.0349(4) Uani d . 1 . Si
P1' -0.5024(2) -0.02637(9) 0.67746(8) 0.0348(4) Uani d . 1 . P
C1' -0.2027(6) 0.2516(3) 0.7032(3) 0.0290(14) Uani d . 1 . C
C2' -0.1326(6) 0.2486(3) 0.7593(3) 0.0309(14) Uani d . 1 . C
H2'A -0.0416(6) 0.2401(3) 0.7611(3) 0.037 Uiso calc R 1 . H
C3' -0.2121(6) 0.2596(3) 0.8123(3) 0.0307(14) Uani d . 1 . C
C4' -0.3429(5) 0.2702(3) 0.7893(3) 0.0273(13) Uani d . 1 . C
C5' -0.3339(6) 0.2651(3) 0.7230(3) 0.0301(14) Uani d . 1 . C
H5'A -0.4056(6) 0.2699(3) 0.6957(3) 0.036 Uiso calc R 1 . H
C6' 0.0673(5) 0.2904(3) 0.6441(3) 0.041(2) Uani d . 1 . C
H6'A 0.1055(6) 0.2909(19) 0.6036(4) 0.061 Uiso calc R 1 . H
H6'B 0.1047(6) 0.2540(12) 0.6606(14) 0.061 Uiso calc R 1 . H
H6'C 0.0965(5) 0.3492(8) 0.6776(11) 0.061 Uiso calc R 1 . H
C7' -0.1826(6) 0.1350(3) 0.5631(3) 0.043(2) Uani d . 1 . C
H7'A -0.2871(6) 0.1102(8) 0.5539(12) 0.065 Uiso calc R 1 . H
H7'B -0.142(3) 0.1002(6) 0.5800(7) 0.065 Uiso calc R 1 . H
H7'C -0.146(3) 0.1357(4) 0.5224(6) 0.065 Uiso calc R 1 . H
C8' -0.2031(6) 0.3127(3) 0.5908(3) 0.046(2) Uani d . 1 . C
H8'A -0.3075(7) 0.2959(15) 0.5882(15) 0.068 Uiso calc R 1 . H
H8'B -0.178(3) 0.3030(16) 0.5464(7) 0.068 Uiso calc R 1 . H
H8'C -0.161(3) 0.3738(4) 0.6193(9) 0.068 Uiso calc R 1 . H
C9' -0.2613(6) 0.2211(4) 0.9405(3) 0.059(2) Uani d . 1 . C
H9'A -0.315(3) 0.1613(9) 0.9126(7) 0.089 Uiso calc R 1 . H
H9'B -0.328(3) 0.2544(15) 0.9538(16) 0.089 Uiso calc R 1 . H
H9'C -0.2082(7) 0.223(2) 0.9799(10) 0.089 Uiso calc R 1 . H
C10' -0.0420(8) 0.3834(4) 0.9485(3) 0.094(3) Uani d . 1 . C
H10D 0.039(3) 0.4076(10) 0.9295(13) 0.142 Uiso calc R 1 . H
H10E -0.008(5) 0.3870(5) 0.9923(8) 0.142 Uiso calc R 1 . H
H10F -0.1097(17) 0.4161(8) 0.953(2) 0.142 Uiso calc R 1 . H
C11' 0.0047(7) 0.2115(5) 0.8790(3) 0.088(3) Uani d . 1 . C
H11D -0.0365(16) 0.1539(12) 0.8443(17) 0.133 Uiso calc R 1 . H
H11E 0.036(4) 0.207(3) 0.9199(7) 0.133 Uiso calc R 1 . H
H11F 0.087(2) 0.2443(16) 0.865(2) 0.133 Uiso calc R 1 . H
C12' -0.6336(6) 0.2955(4) 0.7740(3) 0.048(2) Uani d . 1 . C
H12D -0.5923(14) 0.3483(12) 0.7661(13) 0.072 Uiso calc R 1 . H
H12E -0.7200(15) 0.298(2) 0.7942(8) 0.072 Uiso calc R 1 . H
H12F -0.658(3) 0.2458(11) 0.7318(6) 0.072 Uiso calc R 1 . H
C13' -0.4498(6) 0.3820(3) 0.9090(3) 0.054(2) Uani d . 1 . C
H13D -0.387(3) 0.3745(10) 0.9406(7) 0.081 Uiso calc R 1 . H
H13E -0.5362(7) 0.3899(13) 0.9277(9) 0.081 Uiso calc R 1 . H
H13F -0.400(3) 0.4328(5) 0.9002(4) 0.081 Uiso calc R 1 . H
C14' -0.5984(6) 0.1893(3) 0.8485(3) 0.045(2) Uani d . 1 . C
H14D -0.5306(9) 0.1747(13) 0.8727(14) 0.068 Uiso calc R 1 . H
H14E -0.644(3) 0.1403(7) 0.8069(3) 0.068 Uiso calc R 1 . H
H14F -0.672(2) 0.2030(8) 0.8754(14) 0.068 Uiso calc R 1 . H
C15' -0.6826(6) -0.0422(3) 0.6986(3) 0.037(2) Uani d . 1 . C
H15C -0.7346(6) -0.1047(3) 0.6813(3) 0.045 Uiso calc R 1 . H
H15D -0.6759(6) -0.0199(3) 0.7473(3) 0.045 Uiso calc R 1 . H
C16' -0.7687(6) 0.0015(3) 0.6718(3) 0.040(2) Uani d . 1 . C
H16C -0.7900(6) -0.0278(3) 0.6230(3) 0.048 Uiso calc R 1 . H
H16D -0.7096(6) 0.0618(3) 0.6826(3) 0.048 Uiso calc R 1 . H
C17' -0.9085(6) 0.0011(4) 0.6989(3) 0.045(2) Uani d . 1 . C
H17C -0.9663(6) -0.0591(4) 0.6893(3) 0.055 Uiso calc R 1 . H
H17D -0.8871(6) 0.0321(4) 0.7475(3) 0.055 Uiso calc R 1 . H
C18' -0.9956(6) 0.0423(4) 0.6702(3) 0.066(2) Uani d . 1 . C
H18D -1.083(2) 0.041(2) 0.6903(14) 0.099 Uiso calc R 1 . H
H18E -1.021(4) 0.0102(16) 0.6223(4) 0.099 Uiso calc R 1 . H
H18F -0.9390(17) 0.1019(9) 0.6793(17) 0.099 Uiso calc R 1 . H
C19' -0.5281(6) -0.0895(3) 0.5891(3) 0.041(2) Uani d . 1 . C
H19C -0.5887(6) -0.1490(3) 0.5801(3) 0.050 Uiso calc R 1 . H
H19D -0.5803(6) -0.0650(3) 0.5655(3) 0.050 Uiso calc R 1 . H
C20' -0.3893(6) -0.0926(4) 0.5614(3) 0.041(2) Uani d . 1 . C
H20C -0.3218(6) -0.0333(4) 0.5777(3) 0.049 Uiso calc R 1 . H
H20D -0.3461(6) -0.1265(4) 0.5791(3) 0.049 Uiso calc R 1 . H
C21' -0.4045(8) -0.1302(5) 0.4881(3) 0.078(2) Uani d . 1 . C
H21C -0.4484(8) -0.0966(5) 0.4703(3) 0.094 Uiso calc R 1 . H
H21D -0.4713(8) -0.1897(5) 0.4718(3) 0.094 Uiso calc R 1 . H
C22' -0.2672(8) -0.1326(4) 0.4609(3) 0.083(2) Uani d . 1 . C
H22D -0.2872(10) -0.158(3) 0.4125(3) 0.124 Uiso calc R 1 . H
H22E -0.224(3) -0.167(2) 0.4769(18) 0.124 Uiso calc R 1 . H
H22F -0.2009(19) -0.0739(5) 0.4756(18) 0.124 Uiso calc R 1 . H
C23' -0.4271(6) -0.0841(3) 0.7165(3) 0.041(2) Uani d . 1 . C
H23C -0.4997(6) -0.1401(3) 0.7084(3) 0.049 Uiso calc R 1 . H
H23D -0.3442(6) -0.0962(3) 0.6954(3) 0.049 Uiso calc R 1 . H
C24' -0.3788(7) -0.0363(4) 0.7901(3) 0.054(2) Uani d . 1 . C
H24C -0.3142(7) 0.0220(4) 0.7982(3) 0.065 Uiso calc R 1 . H
H24D -0.4638(7) -0.0295(4) 0.8114(3) 0.065 Uiso calc R 1 . H
C25' -0.3029(7) -0.0782(4) 0.8230(3) 0.064(2) Uani d . 1 . C
H25C -0.2218(7) -0.0893(4) 0.7999(3) 0.076 Uiso calc R 1 . H
H25D -0.3697(7) -0.1343(4) 0.8189(3) 0.076 Uiso calc R 1 . H
C26' -0.2472(7) -0.0233(4) 0.8952(3) 0.072(2) Uani d . 1 . C
H26D -0.204(4) -0.0546(11) 0.9151(6) 0.107 Uiso calc R 1 . H
H26E -0.3265(10) -0.010(2) 0.9179(5) 0.107 Uiso calc R 1 . H
H26F -0.175(3) 0.0304(12) 0.8993(3) 0.107 Uiso calc R 1 . H
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'
Si Si 0.0817 0.0704 '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'
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_publ_flag
C4 Ag1 P1 168.25(13) n
C4 Ag1 C5 35.7(2) n
P1 Ag1 C5 155.87(13) n
C4 Ag1 C3 33.2(2) n
P1 Ag1 C3 143.62(12) n
C5 Ag1 C3 53.8(2) n
C1 Si1 C8 110.7(3) n
C1 Si1 C6 109.0(3) n
C8 Si1 C6 109.8(3) n
C1 Si1 C7 110.0(2) n
C8 Si1 C7 108.4(3) n
C6 Si1 C7 108.9(3) n
C3 Si2 C9 113.0(2) n
C3 Si2 C11 108.3(3) n
C9 Si2 C11 107.4(3) n
C3 Si2 C10 112.2(2) n
C9 Si2 C10 109.0(3) n
C11 Si2 C10 106.6(3) n
C4 Si3 C14 114.6(3) n
C4 Si3 C12 108.9(2) n
C14 Si3 C12 107.6(3) n
C4 Si3 C13 110.9(2) n
C14 Si3 C13 107.4(3) n
C12 Si3 C13 107.1(3) n
C23 P1 C19 105.9(3) n
C23 P1 C15 104.1(3) n
C19 P1 C15 103.5(3) n
C23 P1 Ag1 112.6(2) n
C19 P1 Ag1 114.1(2) n
C15 P1 Ag1 115.6(2) n
C2 C1 C5 105.1(5) n
C2 C1 Si1 126.7(4) n
C5 C1 Si1 128.0(4) n
C1 C2 C3 111.8(5) n
C2 C3 C4 106.6(4) n
C2 C3 Si2 121.2(4) n
C4 C3 Si2 132.2(4) n
C2 C3 Ag1 87.4(3) n
C4 C3 Ag1 60.0(2) n
Si2 C3 Ag1 117.0(2) n
C5 C4 C3 105.1(4) n
C5 C4 Si3 121.5(4) n
C3 C4 Si3 132.5(4) n
C5 C4 Ag1 77.0(3) n
C3 C4 Ag1 86.8(3) n
Si3 C4 Ag1 110.5(2) n
C1 C5 C4 111.3(5) n
C1 C5 Ag1 92.5(3) n
C4 C5 Ag1 67.4(3) n
C16 C15 P1 114.4(4) n
C17 C16 C15 113.2(5) n
C16 C17 C18 113.5(5) n
C20 C19 P1 112.8(4) n
C21 C20 C19 115.0(5) n
C20 C21 C22 112.6(6) n
C24 C23 P1 113.8(4) n
C23 C24 C25 114.8(5) n
C26 C25 C24 113.9(6) n
P1' Ag1' C5' 155.42(14) n
P1' Ag1' C1' 158.08(13) n
C5' Ag1' C1' 33.6(2) n
P1' Ag1' C4' 145.63(12) n
C5' Ag1' C4' 33.6(2) n
C1' Ag1' C4' 55.7(2) n
P1' Ag1' C2' 152.15(13) n
C5' Ag1' C2' 52.4(2) n
C1' Ag1' C2' 31.61(15) n
C4' Ag1' C2' 52.4(2) n
P1' Ag1' C3' 144.60(12) n
C5' Ag1' C3' 53.4(2) n
C1' Ag1' C3' 53.6(2) n
C4' Ag1' C3' 32.03(15) n
C2' Ag1' C3' 30.75(14) n
C1' Si1' C7' 112.2(2) n
C1' Si1' C8' 109.4(3) n
C7' Si1' C8' 108.5(3) n
C1' Si1' C6' 109.1(3) n
C7' Si1' C6' 108.1(3) n
C8' Si1' C6' 109.7(3) n
C3' Si2' C9' 115.8(3) n
C3' Si2' C11' 108.1(3) n
C9' Si2' C11' 107.6(3) n
C3' Si2' C10' 110.6(3) n
C9' Si2' C10' 106.7(3) n
C11' Si2' C10' 107.8(4) n
C12' Si3' C4' 109.8(2) n
C12' Si3' C14' 105.3(3) n
C4' Si3' C14' 112.5(2) n
C12' Si3' C13' 108.9(3) n
C4' Si3' C13' 111.7(3) n
C14' Si3' C13' 108.4(3) n
C23' P1' C19' 105.3(3) n
C23' P1' C15' 103.7(3) n
C19' P1' C15' 104.8(3) n
C23' P1' Ag1' 114.4(2) n
C19' P1' Ag1' 115.1(2) n
C15' P1' Ag1' 112.5(2) n
C2' C1' C5' 103.7(5) n
C2' C1' Si1' 126.8(4) n
C5' C1' Si1' 129.3(4) n
C2' C1' Ag1' 78.7(3) n
C5' C1' Ag1' 68.6(3) n
Si1' C1' Ag1' 120.3(2) n
C1' C2' C3' 112.9(5) n
C1' C2' Ag1' 69.7(3) n
C3' C2' Ag1' 76.3(3) n
C2' C3' C4' 106.0(5) n
C2' C3' Si2' 120.2(4) n
C4' C3' Si2' 133.5(4) n
C2' C3' Ag1' 72.9(3) n
C4' C3' Ag1' 68.1(3) n
Si2' C3' Ag1' 128.4(2) n
C5' C4' C3' 106.2(4) n
C5' C4' Si3' 122.7(4) n
C3' C4' Si3' 131.1(4) n
C5' C4' Ag1' 68.4(3) n
C3' C4' Ag1' 79.8(3) n
Si3' C4' Ag1' 115.1(2) n
C1' C5' C4' 111.2(5) n
C1' C5' Ag1' 77.8(3) n
C4' C5' Ag1' 78.0(3) n
C16' C15' P1' 113.9(4) n
C15' C16' C17' 113.7(5) n
C18' C17' C16' 113.3(5) n
C20' C19' P1' 114.0(4) n
C21' C20' C19' 115.1(5) n
C20' C21' C22' 115.0(6) n
C24' C23' P1' 114.0(4) n
C25' C24' C23' 115.5(5) n
C24' C25' C26' 112.4(6) n
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ag1 C4 . 2.293(5) y
Ag1 P1 . 2.325(2) y
Ag1 C5 . 2.421(5) y
Ag1 C3 . 2.644(5) y
Si1 C1 . 1.841(5) n
Si1 C8 . 1.856(6) n
Si1 C6 . 1.858(6) n
Si1 C7 . 1.862(5) n
Si2 C3 . 1.855(5) n
Si2 C9 . 1.865(5) n
Si2 C11 . 1.868(6) n
Si2 C10 . 1.875(5) n
Si3 C4 . 1.849(5) n
Si3 C14 . 1.860(5) n
Si3 C12 . 1.868(6) n
Si3 C13 . 1.869(5) n
P1 C23 . 1.814(6) n
P1 C19 . 1.821(5) n
P1 C15 . 1.833(6) n
C1 C2 . 1.404(7) n
C1 C5 . 1.411(7) n
C2 C3 . 1.424(7) n
C3 C4 . 1.450(7) n
C4 C5 . 1.449(6) n
C15 C16 . 1.510(7) n
C16 C17 . 1.507(7) n
C17 C18 . 1.522(7) n
C19 C20 . 1.515(7) n
C20 C21 . 1.513(7) n
C21 C22 . 1.520(8) n
C23 C24 . 1.514(7) n
C24 C25 . 1.523(8) n
C25 C26 . 1.484(8) n
Ag1' P1' . 2.320(2) y
Ag1' C5' . 2.408(5) y
Ag1' C1' . 2.529(5) y
Ag1' C4' . 2.535(5) y
Ag1' C2' . 2.644(5) y
Ag1' C3' . 2.688(6) y
Si1' C1' . 1.840(5) n
Si1' C7' . 1.859(5) n
Si1' C8' . 1.864(5) n
Si1' C6' . 1.864(5) n
Si2' C3' . 1.851(6) n
Si2' C9' . 1.862(6) n
Si2' C11' . 1.869(6) n
Si2' C10' . 1.875(6) n
Si3' C12' . 1.858(6) n
Si3' C4' . 1.861(5) n
Si3' C14' . 1.868(5) n
Si3' C13' . 1.869(6) n
P1' C23' . 1.818(5) n
P1' C19' . 1.821(5) n
P1' C15' . 1.823(5) n
C1' C2' . 1.413(7) n
C1' C5' . 1.433(7) n
C2' C3' . 1.415(7) n
C3' C4' . 1.449(7) n
C4' C5' . 1.434(7) n
C15' C16' . 1.517(7) n
C16' C17' . 1.520(7) n
C17' C18' . 1.512(7) n
C19' C20' . 1.524(7) n
C20' C21' . 1.487(7) n
C21' C22' . 1.504(8) n
C23' C24' . 1.511(7) n
C24' C25' . 1.504(8) n
C25' C26' . 1.510(8) n
