# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Hans-Wolfram Lerner'
_publ_contact_author_address     
;
Institut fuer Anorganische Chemie
Universitaet Frankfurt
Frankfurt
D-60439
GERMANY
;

_publ_contact_author_email       LERNER@CHEMIE.UNI-FRANKFURT.DE

_publ_section_title              
;
Synthesis and crystal structure of [tBu3SiPAg2]8: A
novel Ag16-Cluster featuring a remarkable symmetrical structure
;
loop_
_publ_author_name
'Hans-Wolfram Lerner'
'Jan W. Bats'
'Gunter Margraf'
'Matthias Wagner'

data_margraf33
_database_code_depnum_ccdc_archive 'CCDC 254881'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H216 Ag16 P8 Si8'
_chemical_formula_weight         3569.09

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'

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/nmm'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z'
'y, x, z'

_cell_length_a                   22.826(2)
_cell_length_b                   22.826(2)
_cell_length_c                   14.8258(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7724.8(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    162(2)
_cell_measurement_reflns_used    291
_cell_measurement_theta_min      3
_cell_measurement_theta_max      23

_exptl_crystal_description       rod
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3552
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_type   'empirical, SADABS (Sheldrick, 2000)'
_exptl_absorpt_correction_T_min  0.806
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      162(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  SIEMENS_SMART_CCD
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         738
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  1200
_diffrn_standards_decay_%        0.0
_diffrn_reflns_number            89397
_diffrn_reflns_av_R_equivalents  0.1269
_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.64
_diffrn_reflns_theta_max         28.33
_reflns_number_total             5037
_reflns_number_gt                3057
_reflns_threshold_expression     I>2sigma(I)

_computing_data_collection       'SMART (Siemens, 1995)'
_computing_cell_refinement       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT (Siemens, 1995)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0800P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5037
_refine_ls_number_parameters     210
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1067
_refine_ls_R_factor_gt           0.0562
_refine_ls_wR_factor_ref         0.1586
_refine_ls_wR_factor_gt          0.1466
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.005

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 0.60258(2) 0.68905(2) 0.10382(3) 0.03872(18) Uani 1 1 d . . .
Ag2 Ag 0.64780(3) 0.7500 0.26507(5) 0.0380(2) Uani 1 2 d S . .
Ag3 Ag 0.67661(2) 0.67661(2) -0.05751(5) 0.0377(2) Uani 1 2 d S . .
P2 P 0.60133(12) 0.7500 -0.03452(17) 0.0378(6) Uani 1 2 d S . .
P1 P 0.64478(8) 0.64478(8) 0.24192(18) 0.0400(6) Uani 1 2 d S . .
Si1 Si 0.58873(9) 0.58873(9) 0.33263(18) 0.0401(7) Uani 1 2 d S . .
Si2 Si 0.51921(13) 0.7500 -0.12065(18) 0.0387(7) Uani 1 2 d S . .
C7 C 0.5745(4) 0.5745(4) 0.5244(7) 0.067(4) Uani 1 2 d S . .
H7A H 0.5787 0.5904 0.5855 0.100 Uiso 0.50 1 calc PR . .
H7B H 0.5974 0.5384 0.5191 0.100 Uiso 0.50 1 calc PR . .
H7C H 0.5332 0.5661 0.5124 0.100 Uiso 0.50 1 calc PR . .
C4 C 0.4901(8) 0.6551(9) 0.2634(14) 0.059(5) Uiso 0.50 1 d P . .
H4A H 0.4503 0.6534 0.2386 0.088 Uiso 0.50 1 calc PR . .
H4B H 0.5163 0.6733 0.2193 0.088 Uiso 0.50 1 calc PR . .
H4C H 0.4899 0.6783 0.3190 0.088 Uiso 0.50 1 calc PR . .
C4' C 0.6367(9) 0.4887(8) 0.2352(11) 0.054(5) Uiso 0.50 1 d P . .
H4'A H 0.6528 0.4489 0.2366 0.080 Uiso 0.50 1 calc PR . .
H4'B H 0.6660 0.5157 0.2107 0.080 Uiso 0.50 1 calc PR . .
H4'C H 0.6017 0.4894 0.1969 0.080 Uiso 0.50 1 calc PR . .
C2' C 0.5778(11) 0.4627(13) 0.3659(18) 0.050(7) Uiso 0.50 1 d P . .
H2'A H 0.5937 0.4230 0.3618 0.075 Uiso 0.50 1 calc PR . .
H2'B H 0.5406 0.4647 0.3330 0.075 Uiso 0.50 1 calc PR . .
H2'C H 0.5711 0.4728 0.4293 0.075 Uiso 0.50 1 calc PR . .
C2 C 0.4623(17) 0.5683(15) 0.351(2) 0.086(12) Uiso 0.50 1 d P . .
H2A H 0.4241 0.5713 0.3208 0.129 Uiso 0.50 1 calc PR . .
H2B H 0.4621 0.5923 0.4056 0.129 Uiso 0.50 1 calc PR . .
H2C H 0.4699 0.5273 0.3669 0.129 Uiso 0.50 1 calc PR . .
C6 C 0.6486(5) 0.6486(5) 0.4800(9) 0.127(9) Uani 1 2 d S . .
H6A H 0.6450 0.6622 0.5425 0.191 Uiso 0.50 1 calc PR . .
H6B H 0.6554 0.6822 0.4404 0.191 Uiso 0.50 1 calc PR . .
H6C H 0.6816 0.6213 0.4753 0.191 Uiso 0.50 1 calc PR . .
C5 C 0.5974(7) 0.6204(7) 0.4545(9) 0.055(6) Uani 0.50 1 d P . .
C1 C 0.5120(9) 0.5908(8) 0.2848(13) 0.057(5) Uani 0.50 1 d P . .
C8 C 0.5602(9) 0.6766(8) 0.4585(11) 0.075(6) Uani 0.50 1 d P . .
H8A H 0.5634 0.6941 0.5187 0.113 Uiso 0.50 1 calc PR . .
H8B H 0.5191 0.6670 0.4462 0.113 Uiso 0.50 1 calc PR . .
H8C H 0.5743 0.7045 0.4133 0.113 Uiso 0.50 1 calc PR . .
C9 C 0.6214(8) 0.5063(8) 0.3243(14) 0.055(5) Uani 0.50 1 d P . .
C16 C 0.4972(7) 0.7500 -0.3166(8) 0.098(5) Uani 1 2 d S . .
H16A H 0.5118 0.7404 -0.3770 0.147 Uiso 0.50 1 calc PR . .
H16B H 0.4900 0.7922 -0.3126 0.147 Uiso 0.50 1 calc PR . .
H16C H 0.4606 0.7288 -0.3054 0.147 Uiso 0.50 1 calc PR . .
C14 C 0.4082(11) 0.6745(12) -0.1303(17) 0.082(8) Uiso 0.50 1 d P . .
H14A H 0.3857 0.6444 -0.0983 0.123 Uiso 0.50 1 calc PR . .
H14B H 0.4191 0.6599 -0.1902 0.123 Uiso 0.50 1 calc PR . .
H14C H 0.3844 0.7100 -0.1367 0.123 Uiso 0.50 1 calc PR . .
C12' C 0.4803(9) 0.8516(9) -0.0171(12) 0.065(5) Uiso 0.50 1 d P . .
H12D H 0.4621 0.8905 -0.0177 0.097 Uiso 0.50 1 calc PR . .
H12E H 0.5198 0.8545 0.0084 0.097 Uiso 0.50 1 calc PR . .
H12F H 0.4567 0.8250 0.0198 0.097 Uiso 0.50 1 calc PR . .
C12 C 0.5017(8) 0.6316(8) -0.0515(12) 0.057(4) Uiso 0.50 1 d P . .
H12A H 0.4743 0.6027 -0.0267 0.085 Uiso 0.50 1 calc PR . .
H12B H 0.5329 0.6392 -0.0075 0.085 Uiso 0.50 1 calc PR . .
H12C H 0.5190 0.6163 -0.1072 0.085 Uiso 0.50 1 calc PR . .
C17 C 0.6009(8) 0.7500 -0.2685(10) 0.169(12) Uani 1 2 d S . .
H17A H 0.6080 0.7381 -0.3311 0.254 Uiso 0.50 1 calc PR . .
H17B H 0.6307 0.7324 -0.2293 0.254 Uiso 0.50 1 calc PR . .
H17C H 0.6030 0.7928 -0.2639 0.254 Uiso 0.50 1 calc PR . .
C15 C 0.5457(9) 0.7311(7) -0.2417(10) 0.068(6) Uani 0.50 1 d P . .
C11 C 0.4682(9) 0.6900(9) -0.0723(15) 0.059(6) Uani 0.50 1 d P . .
C10 C 0.6774(9) 0.5036(9) 0.3850(13) 0.085(6) Uani 0.50 1 d P . .
H10A H 0.6946 0.4643 0.3815 0.127 Uiso 0.50 1 calc PR . .
H10B H 0.6667 0.5122 0.4477 0.127 Uiso 0.50 1 calc PR . .
H10C H 0.7060 0.5325 0.3639 0.127 Uiso 0.50 1 calc PR . .
C3 C 0.5057(9) 0.5535(8) 0.1941(11) 0.082(6) Uani 0.50 1 d P . .
H3A H 0.4653 0.5563 0.1719 0.123 Uiso 0.50 1 calc PR . .
H3B H 0.5152 0.5124 0.2064 0.123 Uiso 1 2 calc SR . .
H3C H 0.5326 0.5689 0.1484 0.123 Uiso 0.50 1 calc PR . .
C19 C 0.4841(11) 0.8271(10) -0.1171(17) 0.065(7) Uani 0.50 1 d P . .
C14' C 0.4245(7) 0.8299(8) -0.1511(12) 0.038(4) Uiso 0.50 1 d P . .
H14D H 0.4102 0.8703 -0.1472 0.057 Uiso 0.50 1 calc PR . .
H14E H 0.3994 0.8043 -0.1148 0.057 Uiso 0.50 1 calc PR . .
H14F H 0.4238 0.8170 -0.2141 0.057 Uiso 0.50 1 calc PR . .
C18 C 0.5596(11) 0.6623(10) -0.2424(14) 0.105(9) Uani 0.50 1 d P . .
H18A H 0.5730 0.6507 -0.3026 0.158 Uiso 0.50 1 calc PR . .
H18B H 0.5240 0.6405 -0.2270 0.158 Uiso 0.50 1 calc PR . .
H18C H 0.5903 0.6537 -0.1981 0.158 Uiso 0.50 1 calc PR . .
C20 C 0.5185(9) 0.8709(8) -0.1703(15) 0.082(6) Uani 0.50 1 d P . .
H20A H 0.4989 0.9091 -0.1675 0.123 Uiso 0.50 1 calc PR . .
H20B H 0.5210 0.8580 -0.2332 0.123 Uiso 0.50 1 calc PR . .
H20C H 0.5580 0.8742 -0.1450 0.123 Uiso 0.50 1 calc PR . .
C13 C 0.4377(9) 0.7150(10) 0.0171(12) 0.101(8) Uani 0.50 1 d P . .
H13A H 0.4115 0.6852 0.0423 0.152 Uiso 0.50 1 calc PR . .
H13B H 0.4151 0.7501 0.0022 0.152 Uiso 1 2 calc SR . .
H13C H 0.4679 0.7249 0.0616 0.152 Uiso 0.50 1 calc PR . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ag1 0.0427(3) 0.0402(3) 0.0332(3) 0.0018(2) 0.0001(2) 0.0004(2)
Ag2 0.0435(5) 0.0400(4) 0.0306(4) 0.000 0.0024(3) 0.000
Ag3 0.0402(3) 0.0402(3) 0.0327(4) 0.0014(2) 0.0014(2) 0.0008(3)
P2 0.0422(15) 0.0364(14) 0.0348(13) 0.000 -0.0058(12) 0.000
P1 0.0425(9) 0.0425(9) 0.0351(14) 0.0049(8) 0.0049(8) -0.0011(12)
Si1 0.0429(10) 0.0429(10) 0.0345(14) 0.0047(8) 0.0047(8) -0.0065(14)
Si2 0.0442(16) 0.0360(15) 0.0358(15) 0.000 -0.0057(13) 0.000
C7 0.086(6) 0.086(6) 0.028(6) 0.003(4) 0.003(4) -0.019(8)
C6 0.168(14) 0.168(14) 0.045(8) -0.009(5) -0.009(5) -0.110(16)
C5 0.057(10) 0.082(13) 0.025(6) 0.014(7) 0.011(6) 0.020(11)
C1 0.066(12) 0.043(11) 0.062(12) -0.004(9) -0.001(10) -0.004(10)
C8 0.086(14) 0.093(15) 0.047(10) -0.032(10) 0.041(10) -0.017(11)
C9 0.046(11) 0.042(10) 0.077(14) 0.013(9) 0.024(10) -0.005(9)
C16 0.091(11) 0.168(16) 0.035(7) 0.000 -0.023(7) 0.000
C17 0.097(14) 0.35(4) 0.062(10) 0.000 0.050(10) 0.000
C15 0.096(13) 0.069(16) 0.040(8) -0.014(7) -0.001(9) -0.017(9)
C11 0.050(13) 0.043(13) 0.082(16) 0.036(11) -0.043(12) -0.021(10)
C10 0.081(15) 0.071(14) 0.102(17) 0.022(13) 0.016(13) 0.009(11)
C3 0.092(14) 0.091(14) 0.063(11) 0.014(11) -0.024(11) -0.020(11)
C19 0.059(15) 0.049(13) 0.089(19) 0.013(12) -0.026(13) -0.002(10)
C18 0.108(19) 0.124(19) 0.084(15) -0.070(15) -0.022(14) 0.063(16)
C20 0.076(14) 0.058(12) 0.111(18) 0.025(12) -0.035(13) 0.012(11)
C13 0.075(14) 0.17(2) 0.058(11) 0.046(13) 0.024(10) -0.019(14)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 P1 2.478(2) . ?
Ag1 P2 2.479(2) . ?
Ag1 Ag1 2.7827(11) 13_575 ?
Ag1 Ag1 2.7914(11) 16 ?
Ag1 Ag3 2.9424(8) . ?
Ag1 Ag2 2.9524(8) . ?
Ag2 P1 2.427(2) . ?
Ag2 P1 2.427(2) 4_565 ?
Ag2 Ag1 2.9524(8) 13_575 ?
Ag2 Ag2 3.2990(11) 3_655 ?
Ag2 Ag2 3.2991(11) 4_565 ?
Ag3 P2 2.424(2) 3_655 ?
Ag3 P2 2.424(2) . ?
Ag3 Ag1 2.9425(8) 16 ?
Ag3 Ag3 3.3502(11) 4_565 ?
Ag3 Ag3 3.3502(11) 3_655 ?
P2 Si2 2.268(4) . ?
P2 Ag3 2.424(2) 4_565 ?
P2 Ag1 2.479(2) 13_575 ?
P1 Si1 2.254(4) . ?
P1 Ag2 2.427(2) 3_655 ?
P1 Ag1 2.478(2) 16 ?
Si1 C1 1.89(2) 16 ?
Si1 C1 1.89(2) . ?
Si1 C5 1.956(15) 16 ?
Si1 C5 1.956(15) . ?
Si1 C9 2.028(18) . ?
Si1 C9 2.028(18) 16 ?
Si2 C19 1.94(3) 13_575 ?
Si2 C19 1.94(3) . ?
Si2 C11 1.94(2) . ?
Si2 C11 1.94(2) 13_575 ?
Si2 C15 1.943(16) . ?
Si2 C15 1.943(16) 13_575 ?
C7 C5 1.563(17) . ?
C4 C1 1.58(3) . ?
C4' C9 1.42(3) . ?
C2' C9 1.54(3) . ?
C2 C1 1.59(4) . ?
C6 C5 1.39(2) . ?
C5 C8 1.54(2) . ?
C1 C3 1.60(2) . ?
C9 C10 1.56(3) . ?
C16 C15 1.63(2) . ?
C14 C11 1.66(3) . ?
C12' C19 1.59(3) . ?
C12 C11 1.57(3) . ?
C17 C15 1.39(2) . ?
C15 C18 1.60(3) . ?
C11 C13 1.60(3) . ?
C19 C14' 1.45(3) . ?
C19 C20 1.49(3) . ?

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
_geom_angle_publ_flag
P1 Ag1 P2 156.50(9) . . ?
P1 Ag1 Ag1 114.06(6) . 13_575 ?
P2 Ag1 Ag1 55.85(3) . 13_575 ?
P1 Ag1 Ag1 55.72(4) . 16 ?
P2 Ag1 Ag1 113.89(5) . 16 ?
Ag1 Ag1 Ag1 135.0 13_575 16 ?
P1 Ag1 Ag3 114.14(4) . . ?
P2 Ag1 Ag3 52.27(5) . . ?
Ag1 Ag1 Ag3 95.536(15) 13_575 . ?
Ag1 Ag1 Ag3 61.685(12) 16 . ?
P1 Ag1 Ag2 52.21(5) . . ?
P2 Ag1 Ag2 114.17(4) . . ?
Ag1 Ag1 Ag2 61.884(12) 13_575 . ?
Ag1 Ag1 Ag2 94.932(15) 16 . ?
Ag3 Ag1 Ag2 120.19(3) . . ?
P1 Ag2 P1 163.41(13) . 4_565 ?
P1 Ag2 Ag1 53.79(6) . . ?
P1 Ag2 Ag1 109.99(6) 4_565 . ?
P1 Ag2 Ag1 109.99(6) . 13_575 ?
P1 Ag2 Ag1 53.79(6) 4_565 13_575 ?
Ag1 Ag2 Ag1 56.23(2) . 13_575 ?
P1 Ag2 Ag2 47.19(5) . 3_655 ?
P1 Ag2 Ag2 136.04(5) 4_565 3_655 ?
Ag1 Ag2 Ag2 85.068(15) . 3_655 ?
Ag1 Ag2 Ag2 125.485(16) 13_575 3_655 ?
P1 Ag2 Ag2 136.04(5) . 4_565 ?
P1 Ag2 Ag2 47.18(5) 4_565 4_565 ?
Ag1 Ag2 Ag2 125.484(16) . 4_565 ?
Ag1 Ag2 Ag2 85.066(15) 13_575 4_565 ?
Ag2 Ag2 Ag2 90.001(1) 3_655 4_565 ?
P2 Ag3 P2 163.76(12) 3_655 . ?
P2 Ag3 Ag1 110.55(6) 3_655 . ?
P2 Ag3 Ag1 53.97(6) . . ?
P2 Ag3 Ag1 53.97(6) 3_655 16 ?
P2 Ag3 Ag1 110.55(6) . 16 ?
Ag1 Ag3 Ag1 56.63(2) . 16 ?
P2 Ag3 Ag3 135.15(5) 3_655 4_565 ?
P2 Ag3 Ag3 46.28(5) . 4_565 ?
Ag1 Ag3 Ag3 84.464(15) . 4_565 ?
Ag1 Ag3 Ag3 125.055(16) 16 4_565 ?
P2 Ag3 Ag3 46.28(5) 3_655 3_655 ?
P2 Ag3 Ag3 135.15(5) . 3_655 ?
Ag1 Ag3 Ag3 125.054(17) . 3_655 ?
Ag1 Ag3 Ag3 84.466(15) 16 3_655 ?
Ag3 Ag3 Ag3 90.0 4_565 3_655 ?
Si2 P2 Ag3 120.45(9) . 4_565 ?
Si2 P2 Ag3 120.45(9) . . ?
Ag3 P2 Ag3 87.44(10) 4_565 . ?
Si2 P2 Ag1 118.38(11) . . ?
Ag3 P2 Ag1 119.75(10) 4_565 . ?
Ag3 P2 Ag1 73.76(5) . . ?
Si2 P2 Ag1 118.38(11) . 13_575 ?
Ag3 P2 Ag1 73.76(5) 4_565 13_575 ?
Ag3 P2 Ag1 119.75(10) . 13_575 ?
Ag1 P2 Ag1 68.30(7) . 13_575 ?
Si1 P1 Ag2 119.56(9) . 3_655 ?
Si1 P1 Ag2 119.56(9) . . ?
Ag2 P1 Ag2 85.62(10) 3_655 . ?
Si1 P1 Ag1 120.24(11) . 16 ?
Ag2 P1 Ag1 74.00(5) 3_655 16 ?
Ag2 P1 Ag1 119.34(10) . 16 ?
Si1 P1 Ag1 120.24(11) . . ?
Ag2 P1 Ag1 119.33(10) 3_655 . ?
Ag2 P1 Ag1 74.00(5) . . ?
Ag1 P1 Ag1 68.56(7) 16 . ?
C1 Si1 C1 84.6(12) 16 . ?
C1 Si1 C5 115.5(7) 16 16 ?
C1 Si1 C5 133.4(7) . 16 ?
C1 Si1 C5 133.4(7) 16 . ?
C1 Si1 C5 115.5(7) . . ?
C5 Si1 C5 21.9(8) 16 . ?
C1 Si1 C9 26.9(6) 16 . ?
C1 Si1 C9 110.0(10) . . ?
C5 Si1 C9 90.8(8) 16 . ?
C5 Si1 C9 111.2(8) . . ?
C1 Si1 C9 110.0(10) 16 16 ?
C1 Si1 C9 26.9(6) . 16 ?
C5 Si1 C9 111.2(8) 16 16 ?
C5 Si1 C9 90.8(8) . 16 ?
C9 Si1 C9 132.8(11) . 16 ?
C1 Si1 P1 106.7(6) 16 . ?
C1 Si1 P1 106.7(6) . . ?
C5 Si1 P1 106.5(5) 16 . ?
C5 Si1 P1 106.5(5) . . ?
C9 Si1 P1 106.4(5) . . ?
C9 Si1 P1 106.4(5) 16 . ?
C19 Si2 C19 131.0(15) 13_575 . ?
C19 Si2 C11 25.4(8) 13_575 . ?
C19 Si2 C11 112.7(11) . . ?
C19 Si2 C11 112.7(11) 13_575 13_575 ?
C19 Si2 C11 25.4(8) . 13_575 ?
C11 Si2 C11 90.2(14) . 13_575 ?
C19 Si2 C15 87.2(9) 13_575 . ?
C19 Si2 C15 110.9(9) . . ?
C11 Si2 C15 111.9(9) . . ?
C11 Si2 C15 133.4(9) 13_575 . ?
C19 Si2 C15 110.9(9) 13_575 13_575 ?
C19 Si2 C15 87.2(9) . 13_575 ?
C11 Si2 C15 133.4(9) . 13_575 ?
C11 Si2 C15 111.9(9) 13_575 13_575 ?
C15 Si2 C15 25.7(10) . 13_575 ?
C19 Si2 P2 109.1(8) 13_575 . ?
C19 Si2 P2 109.1(8) . . ?
C11 Si2 P2 106.8(6) . . ?
C11 Si2 P2 106.8(6) 13_575 . ?
C15 Si2 P2 105.2(6) . . ?
C15 Si2 P2 105.2(6) 13_575 . ?
C6 C5 C8 93.9(13) . . ?
C6 C5 C7 114.3(11) . . ?
C8 C5 C7 110.4(11) . . ?
C6 C5 Si1 120.6(10) . . ?
C8 C5 Si1 106.8(10) . . ?
C7 C5 Si1 109.3(10) . . ?
C2 C1 C4 101.4(19) . . ?
C2 C1 C3 106.3(17) . . ?
C4 C1 C3 107.3(15) . . ?
C2 C1 Si1 115.1(18) . . ?
C4 C1 Si1 113.1(13) . . ?
C3 C1 Si1 112.8(13) . . ?
C4' C9 C2' 110.3(18) . . ?
C4' C9 C10 108.8(16) . . ?
C2' C9 C10 105.9(17) . . ?
C4' C9 Si1 114.1(14) . . ?
C2' C9 Si1 109.7(15) . . ?
C10 C9 Si1 107.6(13) . . ?
C17 C15 C18 97.1(15) . . ?
C17 C15 C16 109.9(14) . . ?
C18 C15 C16 113.0(12) . . ?
C17 C15 Si2 118.5(12) . . ?
C18 C15 Si2 106.6(12) . . ?
C16 C15 Si2 111.1(11) . . ?
C12 C11 C13 110.6(16) . . ?
C12 C11 C14 108.9(16) . . ?
C13 C11 C14 98.4(17) . . ?
C12 C11 Si2 112.4(14) . . ?
C13 C11 Si2 108.4(13) . . ?
C14 C11 Si2 117.1(14) . . ?
C14' C19 C20 106.2(17) . . ?
C14' C19 C12' 105(2) . . ?
C20 C19 C12' 106.6(19) . . ?
C14' C19 Si2 114.7(16) . . ?
C20 C19 Si2 112.1(17) . . ?
C12' C19 Si2 111.6(14) . . ?

_diffrn_measured_fraction_theta_max 0.962
_diffrn_reflns_theta_full        28.33
_diffrn_measured_fraction_theta_full 0.962
_refine_diff_density_max         1.130
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.169