#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/00/4320074.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_4320074
loop_
_publ_author_name
'Xiankai Sun'
'Darren W. Johnson'
'Kenneth N. Raymond'
'Edward H. Wong'
_publ_contact_author
;
Kenneth N. Raymond
Department of Chemistry
University of California
Berkeley, CA  94720-1460
;
_publ_contact_author_email       raymond@socrates.berkeley.edu
_publ_contact_author_fax         510-486-5283
_publ_contact_author_phone       510-642-7219
_publ_section_title
;
 A Silver-Linked Supramolecular Cluster Encapsulating a Cesium Cation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4504
_journal_page_last               4506
_journal_paper_doi               10.1021/ic010154v
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C139.25 H130.5 Ag3 Cs N8.75 O20.75 P6 Sn2'
_chemical_formula_weight         3138.24
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   23.7157(3)
_cell_length_b                   23.7157(3)
_cell_length_c                   88.5147(5)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    156(2)
_cell_measurement_theta_max      23.25
_cell_measurement_theta_min      1.5
_cell_volume                     43114.0(8)
_computing_cell_refinement
;
SMART (Siemens, 1995), SAINT (Siemens, 1995)
;
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction
;
SAINT (Siemens, 1995), XPREP (Siemens, 1995)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      156(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '3 circle diffractometer'
_diffrn_measurement_method
;
omega scans with profile analysis
;
_diffrn_radiation_detector       'CCD area detector'
_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  0.0619
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       98
_diffrn_reflns_limit_l_min       -97
_diffrn_reflns_number            61272
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.126
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.450
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             18951
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         2.278
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1090
_refine_ls_number_reflns         13769
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0517
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0883P)²+342.7087P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1407
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                9528
_reflns_number_total             13769
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010154v.cif
_cod_data_source_block           wongag2s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        43113.9(8)
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C139.25 H130.50 Ag3 Cs N8.75 O20.75 P6 Sn2'
_cod_database_code               4320074
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Cs1 Cs 0.0000 1.0000 0.109962(10) 0.0459(2) Uani 1 3 d S . .
Cs2 Cs -0.3333 0.3333 -0.047091(10) 0.0422(2) Uani 1 3 d S . .
Sn1 Sn 0.0000 1.0000 0.067116(10) 0.0296(2) Uani 1 3 d S . .
Sn2 Sn 0.0000 1.0000 0.152982(10) 0.0314(2) Uani 1 3 d S . .
Sn3 Sn -0.3333 0.3333 -0.003263(9) 0.0251(2) Uani 1 3 d S . .
Sn4 Sn -0.3333 0.3333 -0.091223(10) 0.0282(2) Uani 1 3 d S . .
Ag1 Ag 0.30680(3) 1.04460(3) 0.111431(7) 0.04340(19) Uani 1 1 d . . .
Ag2 Ag -0.0555(2) 0.3230(3) -0.04663(5) 0.0368(7) Uani 0.89(3) 1 d P . .
Ag3 Ag -0.037(3) 0.352(5) -0.04504(16) 0.049(11) Uani 0.11(3) 1 d P . .
P1 P 0.29400(9) 1.02177(10) 0.08471(2) 0.0327(5) Uani 1 1 d . . .
P2 P 0.32057(10) 1.10678(10) 0.13406(2) 0.0357(5) Uani 1 1 d . . .
P3 P -0.05190(9) 0.32530(9) -0.01929(2) 0.0306(5) Uani 1 1 d . . .
P4 P -0.04319(9) 0.34422(10) -0.07327(2) 0.0321(5) Uani 1 1 d . . .
O1 O 0.0466(2) 0.9627(2) 0.05460(5) 0.0349(12) Uani 1 1 d . . .
O2 O 0.0797(2) 1.0270(2) 0.08101(5) 0.0329(12) Uani 1 1 d . . .
O3 O 0.0802(2) 1.0464(2) 0.13891(6) 0.0358(12) Uani 1 1 d . . .
O4 O 0.0642(2) 0.9852(2) 0.16555(6) 0.0360(12) Uani 1 1 d . . .
O5 O -0.2928(2) 0.2914(2) 0.00992(5) 0.0289(11) Uani 1 1 d . . .
O6 O -0.2561(2) 0.3495(2) -0.01716(5) 0.0323(12) Uani 1 1 d . . .
O7 O -0.2562(2) 0.3543(2) -0.07684(5) 0.0292(11) Uani 1 1 d . . .
O8 O -0.2820(2) 0.3043(2) -0.10474(5) 0.0338(12) Uani 1 1 d . . .
O9 O 0.2317(4) 0.9315(3) 0.12323(9) 0.086(2) Uani 1 1 d . . .
O10 O 0.3928(3) 1.0075(4) 0.11474(8) 0.076(2) Uani 1 1 d . . .
O11 O -0.1591(3) 0.1991(3) -0.04656(7) 0.0693(19) Uani 1 1 d . . .
O12 O -0.0662(5) 0.4634(4) -0.04334(10) 0.098(3) Uani 1 1 d . . .
O13 O 0.0620(4) 0.3258(4) -0.04744(8) 0.074(2) Uani 1 1 d . . .
O14 O 0.3361(10) 0.9029(10) 0.1871(2) 0.124(7) Uiso 0.50 1 d PD . .
O15 O -0.2938(18) 0.3851(18) 0.0750(4) 0.158(13) Uiso 0.33 1 d P . .
N1 N 0.1226(3) 0.8646(3) 0.12643(8) 0.0495(18) Uani 1 1 d . . .
N2 N 0.4005(5) 0.9151(5) 0.11927(10) 0.077(3) Uani 1 1 d . . .
N3 N -0.2545(3) 0.1812(3) -0.03628(8) 0.0483(18) Uani 1 1 d . . .
N4 N 0.0322(6) 0.5567(5) -0.04214(10) 0.094(3) Uani 1 1 d . . .
N5 N 0.0820(4) 0.2473(4) -0.03885(9) 0.059(2) Uani 1 1 d . . .
N6 N 0.2805(6) 0.8687(6) 0.16597(15) 0.045(3) Uiso 0.50 1 d PD . .
N7 N -0.3333 0.3333 0.0520(3) 0.127(7) Uiso 1 3 d S . .
C1 C 0.1012(3) 0.9725(3) 0.06115(8) 0.0303(17) Uani 1 1 d . . .
C2 C 0.1196(3) 1.0074(3) 0.07508(8) 0.0287(16) Uani 1 1 d . . .
C3 C 0.1770(3) 1.0199(3) 0.08215(8) 0.0295(17) Uani 1 1 d . . .
H9A H 0.1892 1.0430 0.0914 0.035 Uiso 1 1 calc R . .
C4 C 0.2172(3) 0.9987(3) 0.07565(8) 0.0305(17) Uani 1 1 d . . .
C5 C 0.1977(4) 0.9630(4) 0.06207(8) 0.0353(18) Uani 1 1 d . . .
H27A H 0.2242 0.9478 0.0576 0.042 Uiso 1 1 calc R . .
C6 C 0.1402(4) 0.9499(4) 0.05516(8) 0.0359(18) Uani 1 1 d . . .
H38A H 0.1271 0.9250 0.0461 0.043 Uiso 1 1 calc R . .
C7 C 0.3559(4) 1.0920(4) 0.07438(9) 0.0382(19) Uani 1 1 d . . .
C8 C 0.4151(4) 1.1303(4) 0.08116(11) 0.054(2) Uani 1 1 d . . .
H10H H 0.4230 1.1185 0.0909 0.065 Uiso 1 1 calc R . .
C9 C 0.4647(5) 1.1867(4) 0.07408(14) 0.072(3) Uani 1 1 d . . .
H11A H 0.5059 1.2121 0.0788 0.086 Uiso 1 1 calc R . .
C10 C 0.4518(5) 1.2040(5) 0.06009(14) 0.069(3) Uani 1 1 d . . .
H12E H 0.4841 1.2424 0.0553 0.083 Uiso 1 1 calc R . .
C11 C 0.3927(5) 1.1663(5) 0.05318(13) 0.071(3) Uani 1 1 d . . .
H12B H 0.3847 1.1780 0.0435 0.085 Uiso 1 1 calc R . .
C12 C 0.3446(5) 1.1108(5) 0.06039(11) 0.060(3) Uani 1 1 d . . .
H12C H 0.3034 1.0854 0.0557 0.072 Uiso 1 1 calc R . .
C13 C 0.3085(4) 0.9553(4) 0.08063(8) 0.0349(18) Uani 1 1 d . . .
C14 C 0.2581(4) 0.8916(4) 0.08360(9) 0.0401(19) Uani 1 1 d . . .
H41A H 0.2167 0.8845 0.0868 0.048 Uiso 1 1 calc R . .
C15 C 0.2679(4) 0.8390(4) 0.08192(10) 0.049(2) Uani 1 1 d . . .
H37A H 0.2330 0.7960 0.0836 0.058 Uiso 1 1 calc R . .
C16 C 0.3283(5) 0.8491(5) 0.07788(10) 0.053(2) Uani 1 1 d . . .
H72A H 0.3357 0.8133 0.0771 0.064 Uiso 1 1 calc R . .
C17 C 0.3775(4) 0.9107(5) 0.07495(10) 0.052(2) Uani 1 1 d . . .
H73A H 0.4187 0.9173 0.0718 0.063 Uiso 1 1 calc R . .
C18 C 0.3686(4) 0.9638(4) 0.07648(9) 0.042(2) Uani 1 1 d . . .
H92A H 0.4039 1.0064 0.0747 0.051 Uiso 1 1 calc R . .
C19 C 0.1320(3) 1.0453(3) 0.14503(8) 0.0305(17) Uani 1 1 d . . .
C20 C 0.1236(4) 1.0133(3) 0.15918(8) 0.0333(18) Uani 1 1 d . . .
C21 C 0.1758(4) 1.0123(4) 0.16554(9) 0.0376(19) Uani 1 1 d . . .
H40A H 0.1705 0.9906 0.1749 0.045 Uiso 1 1 calc R . .
C22 C 0.2363(4) 1.0424(4) 0.15853(8) 0.0372(19) Uani 1 1 d . . .
H44A H 0.2720 1.0418 0.1633 0.045 Uiso 1 1 calc R . .
C23 C 0.2451(4) 1.0733(4) 0.14470(8) 0.0344(18) Uani 1 1 d . . .
C24 C 0.1926(3) 1.0743(3) 0.13802(8) 0.0323(17) Uani 1 1 d . . .
H24A H 0.1982 1.0952 0.1285 0.039 Uiso 1 1 calc R . .
C25 C 0.3801(4) 1.1030(4) 0.14642(8) 0.0374(19) Uani 1 1 d . . .
C26 C 0.3753(4) 1.0430(4) 0.14868(10) 0.050(2) Uani 1 1 d . . .
H33A H 0.3403 1.0051 0.1443 0.059 Uiso 1 1 calc R . .
C27 C 0.4213(5) 1.0379(5) 0.15727(11) 0.058(3) Uani 1 1 d . . .
H17A H 0.4170 0.9963 0.1590 0.070 Uiso 1 1 calc R . .
C28 C 0.4737(5) 1.0932(5) 0.16339(11) 0.066(3) Uani 1 1 d . . .
H12A H 0.5061 1.0896 0.1690 0.079 Uiso 1 1 calc R . .
C29 C 0.4789(5) 1.1538(5) 0.16137(11) 0.060(3) Uani 1 1 d . . .
H63A H 0.5145 1.1917 0.1656 0.072 Uiso 1 1 calc R . .
C30 C 0.4313(4) 1.1583(4) 0.15312(10) 0.049(2) Uani 1 1 d . . .
H91A H 0.4338 1.1993 0.1520 0.059 Uiso 1 1 calc R . .
C31 C 0.3481(4) 1.1932(4) 0.13168(9) 0.041(2) Uani 1 1 d . . .
C32 C 0.3251(4) 1.2251(4) 0.14051(10) 0.046(2) Uani 1 1 d . . .
H68A H 0.2940 1.2020 0.1482 0.055 Uiso 1 1 calc R . .
C33 C 0.3472(5) 1.2911(4) 0.13829(11) 0.060(3) Uani 1 1 d . . .
H20A H 0.3302 1.3127 0.1442 0.072 Uiso 1 1 calc R . .
C34 C 0.3947(6) 1.3254(5) 0.12731(12) 0.075(3) Uani 1 1 d . . .
H14A H 0.4110 1.3706 0.1259 0.090 Uiso 1 1 calc R . .
C35 C 0.4179(5) 1.2932(5) 0.11842(12) 0.069(3) Uani 1 1 d . . .
H12D H 0.4501 1.3161 0.1109 0.083 Uiso 1 1 calc R . .
C36 C 0.3936(4) 1.2269(4) 0.12062(10) 0.055(2) Uani 1 1 d . . .
H77A H 0.4085 1.2044 0.1144 0.067 Uiso 1 1 calc R . .
C37 C -0.2383(3) 0.2983(3) 0.00373(8) 0.0277(16) Uani 1 1 d . . .
C38 C -0.2181(3) 0.3288(3) -0.01074(8) 0.0270(16) Uani 1 1 d . . .
C39 C -0.1630(3) 0.3356(3) -0.01728(8) 0.0273(16) Uani 1 1 d . . .
H21A H -0.1502 0.3552 -0.0270 0.033 Uiso 1 1 calc R . .
C40 C -0.1249(3) 0.3140(3) -0.00993(8) 0.0309(17) Uani 1 1 d . . .
C41 C -0.1434(4) 0.2860(4) 0.00437(9) 0.0389(19) Uani 1 1 d . . .
H54A H -0.1172 0.2723 0.0096 0.047 Uiso 1 1 calc R . .
C42 C -0.1995(4) 0.2781(4) 0.01105(8) 0.0354(18) Uani 1 1 d . . .
H45A H -0.2118 0.2586 0.0208 0.042 Uiso 1 1 calc R . .
C43 C 0.0163(3) 0.4009(4) -0.01244(9) 0.0373(19) Uani 1 1 d . . .
C44 C 0.0746(4) 0.4255(4) -0.02043(11) 0.049(2) Uani 1 1 d . . .
H48A H 0.0767 0.4034 -0.0292 0.059 Uiso 1 1 calc R . .
C45 C 0.1303(4) 0.4828(4) -0.01561(12) 0.060(3) Uani 1 1 d . . .
H69A H 0.1698 0.5004 -0.0212 0.071 Uiso 1 1 calc R . .
C46 C 0.1265(5) 0.5126(4) -0.00268(12) 0.059(3) Uani 1 1 d . . .
H81A H 0.1644 0.5503 0.0008 0.071 Uiso 1 1 calc R . .
C47 C 0.0697(5) 0.4897(4) 0.00532(11) 0.056(3) Uani 1 1 d . . .
H11E H 0.0683 0.5120 0.0141 0.067 Uiso 1 1 calc R . .
C48 C 0.0130(4) 0.4322(4) 0.00039(9) 0.045(2) Uani 1 1 d . . .
H53A H -0.0266 0.4156 0.0059 0.054 Uiso 1 1 calc R . .
C49 C -0.0378(3) 0.2625(4) -0.01112(9) 0.0343(18) Uani 1 1 d . . .
C50 C -0.0612(4) 0.2037(4) -0.01842(10) 0.044(2) Uani 1 1 d . . .
H31A H -0.0834 0.1968 -0.0278 0.053 Uiso 1 1 calc R . .
C51 C -0.0529(4) 0.1543(4) -0.01233(12) 0.059(3) Uani 1 1 d . . .
H94A H -0.0692 0.1140 -0.0175 0.071 Uiso 1 1 calc R . .
C52 C -0.0205(4) 0.1644(5) 0.00130(13) 0.064(3) Uani 1 1 d . . .
H66A H -0.0142 0.1310 0.0055 0.076 Uiso 1 1 calc R . .
C53 C 0.0032(4) 0.2246(5) 0.00909(10) 0.053(2) Uani 1 1 d . . .
H42A H 0.0241 0.2309 0.0186 0.064 Uiso 1 1 calc R . .
C54 C -0.0041(4) 0.2733(4) 0.00278(9) 0.044(2) Uani 1 1 d . . .
H58A H 0.0135 0.3143 0.0077 0.053 Uiso 1 1 calc R . .
C55 C -0.2134(3) 0.3399(3) -0.08330(8) 0.0273(16) Uani 1 1 d . . .
C56 C -0.2257(3) 0.3154(3) -0.09819(8) 0.0300(17) Uani 1 1 d . . .
C57 C -0.1813(4) 0.3035(4) -0.10574(9) 0.0354(18) Uani 1 1 d . . .
H59A H -0.1890 0.2889 -0.1159 0.042 Uiso 1 1 calc R . .
C58 C -0.1257(4) 0.3130(4) -0.09830(9) 0.0362(18) Uani 1 1 d . . .
H25A H -0.0950 0.3055 -0.1035 0.043 Uiso 1 1 calc R . .
C59 C -0.1146(3) 0.3334(3) -0.08332(8) 0.0317(17) Uani 1 1 d . . .
C60 C -0.1581(3) 0.3480(3) -0.07584(8) 0.0267(16) Uani 1 1 d . . .
H17B H -0.1498 0.3633 -0.0657 0.032 Uiso 1 1 calc R . .
C61 C 0.0232(4) 0.4228(4) -0.07890(9) 0.0364(19) Uani 1 1 d . . .
C62 C 0.0145(4) 0.4648(4) -0.08840(11) 0.056(2) Uani 1 1 d . . .
H74A H -0.0276 0.4511 -0.0924 0.067 Uiso 1 1 calc R . .
C63 C 0.0655(5) 0.5256(4) -0.09211(13) 0.068(3) Uani 1 1 d . . .
H10I H 0.0584 0.5537 -0.0985 0.081 Uiso 1 1 calc R . .
C64 C 0.1267(5) 0.5452(4) -0.08647(12) 0.064(3) Uani 1 1 d . . .
H87A H 0.1620 0.5867 -0.0892 0.077 Uiso 1 1 calc R . .
C65 C 0.1373(4) 0.5061(5) -0.07714(11) 0.060(3) Uani 1 1 d . . .
H88A H 0.1799 0.5200 -0.0735 0.072 Uiso 1 1 calc R . .
C66 C 0.0854(4) 0.4451(4) -0.07293(10) 0.051(2) Uani 1 1 d . . .
H55A H 0.0925 0.4187 -0.0660 0.061 Uiso 1 1 calc R . .
C67 C -0.0239(4) 0.2854(4) -0.08145(8) 0.0336(18) Uani 1 1 d . . .
C68 C 0.0326(4) 0.3027(4) -0.08972(10) 0.047(2) Uani 1 1 d . . .
H11D H 0.0616 0.3471 -0.0921 0.056 Uiso 1 1 calc R . .
C69 C 0.0460(4) 0.2550(5) -0.09438(12) 0.061(3) Uani 1 1 d . . .
H71A H 0.0845 0.2672 -0.1000 0.073 Uiso 1 1 calc R . .
C70 C 0.0056(5) 0.1913(5) -0.09109(10) 0.053(2) Uani 1 1 d . . .
H80A H 0.0164 0.1594 -0.0941 0.063 Uiso 1 1 calc R . .
C71 C -0.0511(5) 0.1734(4) -0.08338(10) 0.056(3) Uani 1 1 d . . .
H86A H -0.0805 0.1286 -0.0815 0.068 Uiso 1 1 calc R . .
C72 C -0.0663(4) 0.2197(4) -0.07832(10) 0.048(2) Uani 1 1 d . . .
H19A H -0.1052 0.2067 -0.0728 0.057 Uiso 1 1 calc R . .
C73 C 0.1742(6) 0.9194(5) 0.12664(13) 0.076(3) Uani 1 1 d . . .
H10A H 0.1699 0.9556 0.1297 0.091 Uiso 1 1 calc R . .
C74 C 0.0609(5) 0.8586(6) 0.13053(12) 0.080(3) Uani 1 1 d . . .
H10B H 0.0679 0.9008 0.1341 0.120 Uiso 1 1 calc R . .
H10C H 0.0407 0.8262 0.1386 0.120 Uiso 1 1 calc R . .
H10D H 0.0322 0.8449 0.1217 0.120 Uiso 1 1 calc R . .
C75 C 0.1194(6) 0.8059(5) 0.12128(15) 0.096(4) Uani 1 1 d . . .
H10E H 0.1633 0.8146 0.1188 0.143 Uiso 1 1 calc R . .
H10F H 0.0917 0.7899 0.1123 0.143 Uiso 1 1 calc R . .
H10G H 0.1010 0.7729 0.1293 0.143 Uiso 1 1 calc R . .
C76 C 0.3706(5) 0.9463(5) 0.11460(11) 0.065(3) Uani 1 1 d . . .
H10M H 0.3278 0.9203 0.1107 0.078 Uiso 1 1 calc R . .
C77 C 0.4656(6) 0.9509(8) 0.12616(14) 0.112(5) Uani 1 1 d . . .
H10J H 0.4792 0.9972 0.1268 0.168 Uiso 1 1 calc R . .
H10K H 0.4967 0.9455 0.1199 0.168 Uiso 1 1 calc R . .
H10L H 0.4642 0.9338 0.1363 0.168 Uiso 1 1 calc R . .
C78 C 0.3691(7) 0.8440(6) 0.11722(14) 0.097(4) Uani 1 1 d . . .
H10N H 0.3260 0.8276 0.1127 0.145 Uiso 1 1 calc R . .
H10O H 0.3644 0.8231 0.1271 0.145 Uiso 1 1 calc R . .
H10P H 0.3959 0.8339 0.1106 0.145 Uiso 1 1 calc R . .
C79 C -0.2074(4) 0.2044(5) -0.04661(10) 0.055(2) Uani 1 1 d . . .
H11C H -0.2121 0.2275 -0.0548 0.066 Uiso 1 1 calc R . .
C80 C -0.3073(5) 0.1941(5) -0.03730(12) 0.070(3) Uani 1 1 d . . .
H11B H -0.3034 0.2177 -0.0467 0.104 Uiso 1 1 calc R . .
H11F H -0.3058 0.2206 -0.0286 0.104 Uiso 1 1 calc R . .
H11G H -0.3487 0.1529 -0.0373 0.104 Uiso 1 1 calc R . .
C81 C -0.2500(5) 0.1470(5) -0.02311(11) 0.073(3) Uani 1 1 d . . .
H12F H -0.2119 0.1415 -0.0241 0.110 Uiso 1 1 calc R . .
H12G H -0.2894 0.1042 -0.0224 0.110 Uiso 1 1 calc R . .
H12H H -0.2457 0.1723 -0.0140 0.110 Uiso 1 1 calc R . .
C82 C -0.0073(7) 0.4900(5) -0.04404(11) 0.079(4) Uani 1 1 d . . .
H12I H 0.0124 0.4643 -0.0459 0.095 Uiso 1 1 calc R . .
C83 C 0.0045(8) 0.5992(6) -0.03969(14) 0.113(5) Uani 1 1 d . . .
H13A H -0.0431 0.5728 -0.0393 0.169 Uiso 1 1 calc R . .
H13B H 0.0173 0.6306 -0.0480 0.169 Uiso 1 1 calc R . .
H13C H 0.0207 0.6226 -0.0301 0.169 Uiso 1 1 calc R . .
C84 C 0.1005(7) 0.5850(7) -0.04301(15) 0.126(6) Uani 1 1 d . . .
H13D H 0.1115 0.5509 -0.0449 0.189 Uiso 1 1 calc R . .
H13E H 0.1201 0.6069 -0.0335 0.189 Uiso 1 1 calc R . .
H13F H 0.1172 0.6167 -0.0513 0.189 Uiso 1 1 calc R . .
C85 C 0.0588(5) 0.2734(7) -0.04841(12) 0.077(3) Uani 1 1 d . . .
H50A H 0.0371 0.2480 -0.0571 0.092 Uiso 1 1 calc R . .
C86 C 0.1158(5) 0.2827(5) -0.02527(10) 0.059(2) Uani 1 1 d . . .
H65A H 0.1183 0.3252 -0.0252 0.088 Uiso 1 1 calc R . .
H65B H 0.1599 0.2889 -0.0252 0.088 Uiso 1 1 calc R . .
H65C H 0.0920 0.2577 -0.0163 0.088 Uiso 1 1 calc R . .
C87 C 0.0741(6) 0.1834(6) -0.04077(16) 0.106(5) Uani 1 1 d . . .
H11H H 0.0509 0.1643 -0.0502 0.159 Uiso 1 1 calc R . .
H11I H 0.0491 0.1556 -0.0323 0.159 Uiso 1 1 calc R . .
H11J H 0.1171 0.1869 -0.0411 0.159 Uiso 1 1 calc R . .
C88 C 0.3247(11) 0.8815(13) 0.1761(2) 0.097(8) Uiso 0.50 1 d PD . .
C89 C 0.2882(13) 0.8452(14) 0.1523(3) 0.117(10) Uiso 0.50 1 d PD . .
C90 C 0.2341(9) 0.8816(9) 0.1670(2) 0.059(5) Uiso 0.50 1 d PD . .
C91 C -0.3333 0.3333 0.0675(3) 0.097(7) Uiso 1 3 d S . .
C92 C -0.3686(8) 0.3670(8) 0.04480(19) 0.078(5) Uiso 0.67 1 d P . .
C93 C 0.582(2) 1.269(2) 0.1020(5) 0.168(15) Uiso 0.50 1 d P . .
C94 C 0.560(2) 1.246(2) 0.1188(5) 0.183(17) Uiso 0.50 1 d P . .
C95 C 0.5520(17) 1.1930(17) 0.1235(4) 0.116(10) Uiso 0.50 1 d P . .
C96 C 0.619(2) 1.223(2) 0.1286(5) 0.192(17) Uiso 0.50 1 d P . .
C97 C 0.499(2) 1.149(2) 0.1199(5) 0.175(16) Uiso 0.50 1 d P . .
C98 C -0.3333 0.3333 -0.1449(6) 0.127(19) Uiso 0.50 3 d SP . .
C99 C -0.326(2) 0.399(2) -0.1421(5) 0.103(12) Uiso 0.33 1 d P . .
C100 C -0.404(2) 0.388(2) -0.1565(5) 0.128(16) Uiso 0.33 1 d P . .
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'
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'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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
_geom_angle_publ_flag
O3 Cs1 O3 56.04(15) 2_675 3_465 ?
O3 Cs1 O3 56.04(15) 2_675 . ?
O3 Cs1 O3 56.04(15) 3_465 . ?
O3 Cs1 O2 156.35(13) 2_675 . ?
O3 Cs1 O2 141.02(13) 3_465 . ?
O3 Cs1 O2 114.83(13) . . ?
O3 Cs1 O2 141.02(13) 2_675 3_465 ?
O3 Cs1 O2 114.83(12) 3_465 3_465 ?
O3 Cs1 O2 156.35(13) . 3_465 ?
O2 Cs1 O2 56.31(14) . 3_465 ?
O3 Cs1 O2 114.83(12) 2_675 2_675 ?
O3 Cs1 O2 156.35(13) 3_465 2_675 ?
O3 Cs1 O2 141.02(13) . 2_675 ?
O2 Cs1 O2 56.31(14) . 2_675 ?
O2 Cs1 O2 56.31(14) 3_465 2_675 ?
O3 Cs1 Sn1 147.15(9) 2_675 . ?
O3 Cs1 Sn1 147.15(9) 3_465 . ?
O3 Cs1 Sn1 147.15(9) . . ?
O2 Cs1 Sn1 33.02(9) . . ?
O2 Cs1 Sn1 33.02(9) 3_465 . ?
O2 Cs1 Sn1 33.02(9) 2_675 . ?
O3 Cs1 Sn2 32.85(9) 2_675 . ?
O3 Cs1 Sn2 32.85(9) 3_465 . ?
O3 Cs1 Sn2 32.85(9) . . ?
O2 Cs1 Sn2 146.98(9) . . ?
O2 Cs1 Sn2 146.98(9) 3_465 . ?
O2 Cs1 Sn2 146.98(9) 2_675 . ?
Sn1 Cs1 Sn2 180.0 . . ?
O7 Cs2 O7 54.46(14) . 3_455 ?
O7 Cs2 O7 54.46(14) . 2_565 ?
O7 Cs2 O7 54.46(14) 3_455 2_565 ?
O7 Cs2 O6 115.86(12) . . ?
O7 Cs2 O6 147.41(12) 3_455 . ?
O7 Cs2 O6 151.00(12) 2_565 . ?
O7 Cs2 O6 151.00(12) . 3_455 ?
O7 Cs2 O6 115.86(12) 3_455 3_455 ?
O7 Cs2 O6 147.41(12) 2_565 3_455 ?
O6 Cs2 O6 55.10(14) . 3_455 ?
O7 Cs2 O6 147.41(12) . 2_565 ?
O7 Cs2 O6 151.00(12) 3_455 2_565 ?
O7 Cs2 O6 115.86(12) 2_565 2_565 ?
O6 Cs2 O6 55.10(14) . 2_565 ?
O6 Cs2 O6 55.10(14) 3_455 2_565 ?
O7 Cs2 C80 89.63(18) . . ?
O7 Cs2 C80 83.59(18) 3_455 . ?
O7 Cs2 C80 134.97(18) 2_565 . ?
O6 Cs2 C80 64.46(18) . . ?
O6 Cs2 C80 61.40(18) 3_455 . ?
O6 Cs2 C80 108.88(18) 2_565 . ?
O7 Cs2 C80 83.59(18) . 2_565 ?
O7 Cs2 C80 134.97(18) 3_455 2_565 ?
O7 Cs2 C80 89.63(18) 2_565 2_565 ?
O6 Cs2 C80 61.41(18) . 2_565 ?
O6 Cs2 C80 108.88(18) 3_455 2_565 ?
O6 Cs2 C80 64.46(18) 2_565 2_565 ?
C80 Cs2 C80 114.83(12) . 2_565 ?
O7 Cs2 C80 134.97(18) . 3_455 ?
O7 Cs2 C80 89.63(18) 3_455 3_455 ?
O7 Cs2 C80 83.59(18) 2_565 3_455 ?
O6 Cs2 C80 108.88(18) . 3_455 ?
O6 Cs2 C80 64.46(18) 3_455 3_455 ?
O6 Cs2 C80 61.41(18) 2_565 3_455 ?
C80 Cs2 C80 114.83(12) . 3_455 ?
C80 Cs2 C80 114.83(12) 2_565 3_455 ?
O7 Cs2 Sn3 148.11(8) . . ?
O7 Cs2 Sn3 148.11(8) 3_455 . ?
O7 Cs2 Sn3 148.11(8) 2_565 . ?
O6 Cs2 Sn3 32.28(8) . . ?
O6 Cs2 Sn3 32.28(8) 3_455 . ?
O6 Cs2 Sn3 32.28(8) 2_565 . ?
C80 Cs2 Sn3 76.64(16) . . ?
C80 Cs2 Sn3 76.64(16) 2_565 . ?
C80 Cs2 Sn3 76.64(16) 3_455 . ?
O7 Cs2 Sn4 31.89(8) . . ?
O7 Cs2 Sn4 31.89(8) 3_455 . ?
O7 Cs2 Sn4 31.89(8) 2_565 . ?
O6 Cs2 Sn4 147.72(8) . . ?
O6 Cs2 Sn4 147.72(8) 3_455 . ?
O6 Cs2 Sn4 147.72(8) 2_565 . ?
C80 Cs2 Sn4 103.36(16) . . ?
C80 Cs2 Sn4 103.36(16) 2_565 . ?
C80 Cs2 Sn4 103.36(16) 3_455 . ?
Sn3 Cs2 Sn4 180.0 . . ?
O1 Sn1 O1 93.58(19) . 3_465 ?
O1 Sn1 O1 93.58(19) . 2_675 ?
O1 Sn1 O1 93.58(19) 3_465 2_675 ?
O1 Sn1 O2 167.74(19) . 2_675 ?
O1 Sn1 O2 97.84(19) 3_465 2_675 ?
O1 Sn1 O2 81.32(18) 2_675 2_675 ?
O1 Sn1 O2 97.84(19) . 3_465 ?
O1 Sn1 O2 81.32(18) 3_465 3_465 ?
O1 Sn1 O2 167.74(19) 2_675 3_465 ?
O2 Sn1 O2 88.30(19) 2_675 3_465 ?
O1 Sn1 O2 81.32(18) . . ?
O1 Sn1 O2 167.74(19) 3_465 . ?
O1 Sn1 O2 97.8(2) 2_675 . ?
O2 Sn1 O2 88.30(19) 2_675 . ?
O2 Sn1 O2 88.30(19) 3_465 . ?
O1 Sn1 Cs1 122.69(14) . . ?
O1 Sn1 Cs1 122.69(14) 3_465 . ?
O1 Sn1 Cs1 122.69(14) 2_675 . ?
O2 Sn1 Cs1 53.54(13) 2_675 . ?
O2 Sn1 Cs1 53.54(13) 3_465 . ?
O2 Sn1 Cs1 53.54(13) . . ?
O4 Sn2 O4 93.38(19) 2_675 3_465 ?
O4 Sn2 O4 93.38(19) 2_675 . ?
O4 Sn2 O4 93.38(19) 3_465 . ?
O4 Sn2 O3 98.5(2) 2_675 . ?
O4 Sn2 O3 167.31(19) 3_465 . ?
O4 Sn2 O3 81.62(19) . . ?
O4 Sn2 O3 81.62(19) 2_675 2_675 ?
O4 Sn2 O3 98.5(2) 3_465 2_675 ?
O4 Sn2 O3 167.3(2) . 2_675 ?
O3 Sn2 O3 87.57(19) . 2_675 ?
O4 Sn2 O3 167.31(19) 2_675 3_465 ?
O4 Sn2 O3 81.62(19) 3_465 3_465 ?
O4 Sn2 O3 98.53(19) . 3_465 ?
O3 Sn2 O3 87.6(2) . 3_465 ?
O3 Sn2 O3 87.6(2) 2_675 3_465 ?
O4 Sn2 Cs1 122.84(14) 2_675 . ?
O4 Sn2 Cs1 122.84(14) 3_465 . ?
O4 Sn2 Cs1 122.84(14) . . ?
O3 Sn2 Cs1 53.04(14) . . ?
O3 Sn2 Cs1 53.04(14) 2_675 . ?
O3 Sn2 Cs1 53.04(14) 3_465 . ?
O5 Sn3 O5 90.99(18) . 2_565 ?
O5 Sn3 O5 90.99(18) . 3_455 ?
O5 Sn3 O5 90.99(18) 2_565 3_455 ?
O5 Sn3 O6 80.96(18) . . ?
O5 Sn3 O6 101.41(18) 2_565 . ?
O5 Sn3 O6 165.26(18) 3_455 . ?
O5 Sn3 O6 101.41(18) . 3_455 ?
O5 Sn3 O6 165.26(18) 2_565 3_455 ?
O5 Sn3 O6 80.96(18) 3_455 3_455 ?
O6 Sn3 O6 88.51(19) . 3_455 ?
O5 Sn3 O6 165.26(18) . 2_565 ?
O5 Sn3 O6 80.96(18) 2_565 2_565 ?
O5 Sn3 O6 101.41(18) 3_455 2_565 ?
O6 Sn3 O6 88.51(19) . 2_565 ?
O6 Sn3 O6 88.51(19) 3_455 2_565 ?
O5 Sn3 Cs2 124.56(13) . . ?
O5 Sn3 Cs2 124.56(13) 2_565 . ?
O5 Sn3 Cs2 124.56(13) 3_455 . ?
O6 Sn3 Cs2 53.69(13) . . ?
O6 Sn3 Cs2 53.69(13) 3_455 . ?
O6 Sn3 Cs2 53.69(13) 2_565 . ?
O8 Sn4 O8 89.52(19) . 3_455 ?
O8 Sn4 O8 89.52(19) . 2_565 ?
O8 Sn4 O8 89.52(19) 3_455 2_565 ?
O8 Sn4 O7 80.70(18) . . ?
O8 Sn4 O7 160.77(18) 3_455 . ?
O8 Sn4 O7 106.79(19) 2_565 . ?
O8 Sn4 O7 106.79(19) . 3_455 ?
O8 Sn4 O7 80.70(18) 3_455 3_455 ?
O8 Sn4 O7 160.77(18) 2_565 3_455 ?
O7 Sn4 O7 86.29(18) . 3_455 ?
O8 Sn4 O7 160.77(18) . 2_565 ?
O8 Sn4 O7 106.79(19) 3_455 2_565 ?
O8 Sn4 O7 80.70(18) 2_565 2_565 ?
O7 Sn4 O7 86.29(18) . 2_565 ?
O7 Sn4 O7 86.29(18) 3_455 2_565 ?
O8 Sn4 Cs2 125.60(14) . . ?
O8 Sn4 Cs2 125.60(14) 3_455 . ?
O8 Sn4 Cs2 125.60(14) 2_565 . ?
O7 Sn4 Cs2 52.15(13) . . ?
O7 Sn4 Cs2 52.15(13) 3_455 . ?
O7 Sn4 Cs2 52.15(13) 2_565 . ?
P2 Ag1 P1 156.29(8) . . ?
P2 Ag1 O9 96.38(18) . . ?
P1 Ag1 O9 102.67(19) . . ?
Ag3 Ag2 P4 93(3) . . ?
Ag3 Ag2 P3 75(3) . . ?
P4 Ag2 P3 168.2(3) . . ?
Ag2 Ag3 P3 90(5) . . ?
Ag2 Ag3 P4 73.1(14) . . ?
P3 Ag3 P4 163(4) . . ?
C4 P1 C13 104.5(3) . . ?
C4 P1 C7 106.5(3) . . ?
C13 P1 C7 106.2(3) . . ?
C4 P1 Ag1 119.9(2) . . ?
C13 P1 Ag1 109.5(2) . . ?
C7 P1 Ag1 109.5(3) . . ?
C23 P2 C25 106.5(3) . . ?
C23 P2 C31 105.8(4) . . ?
C25 P2 C31 105.8(4) . . ?
C23 P2 Ag1 111.2(2) . . ?
C25 P2 Ag1 109.9(3) . . ?
C31 P2 Ag1 117.0(3) . . ?
C40 P3 C43 107.9(3) . . ?
C40 P3 C49 104.4(3) . . ?
C43 P3 C49 103.7(3) . . ?
C40 P3 Ag3 119.0(4) . . ?
C43 P3 Ag3 97(2) . . ?
C49 P3 Ag3 122.7(15) . . ?
C40 P3 Ag2 115.7(3) . . ?
C43 P3 Ag2 111.1(3) . . ?
C49 P3 Ag2 113.3(3) . . ?
Ag3 P3 Ag2 15(2) . . ?
C61 P4 C59 106.3(3) . . ?
C61 P4 C67 104.9(3) . . ?
C59 P4 C67 105.7(3) . . ?
C61 P4 Ag2 116.0(3) . . ?
C59 P4 Ag2 116.5(3) . . ?
C67 P4 Ag2 106.3(3) . . ?
C61 P4 Ag3 102(2) . . ?
C59 P4 Ag3 120.9(5) . . ?
C67 P4 Ag3 115.2(15) . . ?
Ag2 P4 Ag3 14(2) . . ?
C1 O1 Sn1 112.1(4) . . ?
C2 O2 Sn1 110.5(4) . . ?
C2 O2 Cs1 136.0(4) . . ?
Sn1 O2 Cs1 93.44(16) . . ?
C19 O3 Sn2 110.5(4) . . ?
C19 O3 Cs1 137.5(4) . . ?
Sn2 O3 Cs1 94.11(17) . . ?
C20 O4 Sn2 111.8(4) . . ?
C37 O5 Sn3 111.4(4) . . ?
C38 O6 Sn3 111.8(4) . . ?
C38 O6 Cs2 140.2(4) . . ?
Sn3 O6 Cs2 94.03(16) . . ?
C55 O7 Sn4 111.3(4) . . ?
C55 O7 Cs2 141.0(4) . . ?
Sn4 O7 Cs2 95.95(15) . . ?
C56 O8 Sn4 112.1(4) . . ?
C73 O9 Ag1 115.6(6) . . ?
C73 N1 C75 123.9(9) . . ?
C73 N1 C74 120.7(9) . . ?
C75 N1 C74 115.2(9) . . ?
C76 N2 C77 120.6(11) . . ?
C76 N2 C78 119.7(10) . . ?
C77 N2 C78 119.7(10) . . ?
C79 N3 C80 120.6(8) . . ?
C79 N3 C81 120.2(8) . . ?
C80 N3 C81 119.0(8) . . ?
C82 N4 C84 119.8(13) . . ?
C82 N4 C83 121.4(13) . . ?
C84 N4 C83 118.8(12) . . ?
C85 N5 C87 123.5(10) . . ?
C85 N5 C86 120.0(9) . . ?
C87 N5 C86 116.5(9) . . ?
C90 N6 C88 125.8(15) . . ?
C90 N6 C89 117.3(13) . . ?
C88 N6 C89 116.6(14) . . ?
C91 N7 C92 114.1(11) . 2_565 ?
C91 N7 C92 114.1(11) . 3_455 ?
C92 N7 C92 104.4(12) 2_565 3_455 ?
C91 N7 C92 114.1(11) . . ?
C92 N7 C92 104.4(12) 2_565 . ?
C92 N7 C92 104.4(12) 3_455 . ?
O1 C1 C6 123.1(7) . . ?
O1 C1 C2 117.9(6) . . ?
C6 C1 C2 119.1(7) . . ?
O2 C2 C3 122.1(6) . . ?
O2 C2 C1 118.2(6) . . ?
C3 C2 C1 119.7(6) . . ?
C2 C3 C4 120.5(6) . . ?
C3 C4 C5 119.2(7) . . ?
C3 C4 P1 118.1(5) . . ?
C5 C4 P1 122.6(5) . . ?
C6 C5 C4 120.2(7) . . ?
C5 C6 C1 121.3(7) . . ?
C8 C7 C12 118.5(8) . . ?
C8 C7 P1 118.4(7) . . ?
C12 C7 P1 123.0(6) . . ?
C7 C8 C9 121.6(9) . . ?
C10 C9 C8 118.3(9) . . ?
C11 C10 C9 120.6(9) . . ?
C10 C11 C12 119.9(10) . . ?
C7 C12 C11 120.9(9) . . ?
C18 C13 C14 117.8(7) . . ?
C18 C13 P1 123.8(6) . . ?
C14 C13 P1 117.9(6) . . ?
C15 C14 C13 120.7(8) . . ?
C16 C15 C14 120.0(8) . . ?
C17 C16 C15 119.6(8) . . ?
C16 C17 C18 121.3(8) . . ?
C17 C18 C13 120.5(8) . . ?
O3 C19 C24 122.3(7) . . ?
O3 C19 C20 118.4(6) . . ?
C24 C19 C20 119.3(7) . . ?
O4 C20 C21 123.4(7) . . ?
O4 C20 C19 117.7(6) . . ?
C21 C20 C19 118.9(7) . . ?
C20 C21 C22 121.2(7) . . ?
C21 C22 C23 120.6(7) . . ?
C24 C23 C22 119.0(7) . . ?
C24 C23 P2 117.9(6) . . ?
C22 C23 P2 122.9(6) . . ?
C19 C24 C23 121.0(7) . . ?
C26 C25 C30 119.2(8) . . ?
C26 C25 P2 118.0(6) . . ?
C30 C25 P2 122.7(6) . . ?
C25 C26 C27 120.5(8) . . ?
C26 C27 C28 120.2(9) . . ?
C29 C28 C27 120.0(8) . . ?
C28 C29 C30 119.4(9) . . ?
C29 C30 C25 120.5(8) . . ?
C32 C31 C36 119.7(8) . . ?
C32 C31 P2 122.2(6) . . ?
C36 C31 P2 118.0(7) . . ?
C31 C32 C33 120.5(9) . . ?
C32 C33 C34 119.5(9) . . ?
C35 C34 C33 120.0(9) . . ?
C34 C35 C36 119.2(10) . . ?
C31 C36 C35 121.1(9) . . ?
O5 C37 C42 122.2(6) . . ?
O5 C37 C38 119.3(6) . . ?
C42 C37 C38 118.5(6) . . ?
O6 C38 C39 123.6(6) . . ?
O6 C38 C37 116.4(6) . . ?
C39 C38 C37 120.0(6) . . ?
C38 C39 C40 120.9(7) . . ?
C41 C40 C39 119.3(7) . . ?
C41 C40 P3 122.3(5) . . ?
C39 C40 P3 118.4(5) . . ?
C42 C41 C40 120.4(7) . . ?
C41 C42 C37 120.8(7) . . ?
C48 C43 C44 120.2(7) . . ?
C48 C43 P3 122.9(6) . . ?
C44 C43 P3 116.8(6) . . ?
C43 C44 C45 120.4(9) . . ?
C46 C45 C44 118.6(9) . . ?
C45 C46 C47 122.2(9) . . ?
C46 C47 C48 119.5(9) . . ?
C43 C48 C47 119.1(8) . . ?
C50 C49 C54 119.6(7) . . ?
C50 C49 P3 119.6(6) . . ?
C54 C49 P3 120.8(6) . . ?
C49 C50 C51 121.1(8) . . ?
C52 C51 C50 119.4(9) . . ?
C51 C52 C53 120.2(9) . . ?
C54 C53 C52 119.6(9) . . ?
C53 C54 C49 120.0(8) . . ?
O7 C55 C60 122.6(6) . . ?
O7 C55 C56 118.2(6) . . ?
C60 C55 C56 119.2(6) . . ?
O8 C56 C57 121.9(7) . . ?
O8 C56 C55 117.5(6) . . ?
C57 C56 C55 120.6(6) . . ?
C58 C57 C56 119.6(7) . . ?
C57 C58 C59 120.6(7) . . ?
C58 C59 C60 120.0(7) . . ?
C58 C59 P4 121.2(5) . . ?
C60 C59 P4 118.8(5) . . ?
C55 C60 C59 119.9(7) . . ?
C62 C61 C66 117.7(8) . . ?
C62 C61 P4 122.5(6) . . ?
C66 C61 P4 119.7(6) . . ?
C63 C62 C61 121.5(9) . . ?
C64 C63 C62 119.4(9) . . ?
C65 C64 C63 121.0(9) . . ?
C64 C65 C66 120.0(9) . . ?
C61 C66 C65 120.3(8) . . ?
C72 C67 C68 118.8(7) . . ?
C72 C67 P4 117.4(6) . . ?
C68 C67 P4 123.6(6) . . ?
C69 C68 C67 119.7(8) . . ?
C70 C69 C68 121.6(8) . . ?
C69 C70 C71 119.3(8) . . ?
C70 C71 C72 121.1(8) . . ?
C71 C72 C67 119.5(8) . . ?
N1 C73 O9 127.0(9) . . ?
O10 C76 N2 127.0(11) . . ?
O11 C79 N3 126.4(10) . . ?
N3 C80 Cs2 138.5(6) . . ?
O12 C82 N4 122.1(13) . . ?
O13 C85 N5 127.5(11) . . ?
O14 C88 N6 137(2) . . ?
O15 C91 O15 96(3) 3_455 . ?
O15 C91 O15 96(3) 3_455 2_565 ?
O15 C91 O15 96(3) . 2_565 ?
O15 C91 N7 121(2) 3_455 . ?
O15 C91 N7 121(2) . . ?
O15 C91 N7 121(2) 2_565 . ?
C95 C94 C93 121(4) . . ?
C95 C94 C96 48(3) . . ?
C93 C94 C96 110(3) . . ?
C97 C95 C94 111(4) . . ?
C97 C95 C96 157(4) . . ?
C94 C95 C96 92(4) . . ?
C95 C96 C94 40(2) . . ?
C99 C98 C99 117.3(16) 3_455 2_565 ?
C99 C98 C99 117.3(15) 3_455 . ?
C99 C98 C99 117.3(15) 2_565 . ?
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
Cs1 O3 3.050(5) 2_675 ?
Cs1 O3 3.050(5) 3_465 ?
Cs1 O3 3.050(5) . ?
Cs1 O2 3.056(5) . ?
Cs1 O2 3.056(5) 3_465 ?
Cs1 O2 3.056(5) 2_675 ?
Cs1 Sn1 3.7925(12) . ?
Cs1 Sn2 3.8079(13) . ?
Cs2 O7 3.101(5) . ?
Cs2 O7 3.101(5) 3_455 ?
Cs2 O7 3.101(5) 2_565 ?
Cs2 O6 3.134(5) . ?
Cs2 O6 3.134(5) 3_455 ?
Cs2 O6 3.134(5) 2_565 ?
Cs2 C80 3.751(10) . ?
Cs2 C80 3.751(10) 2_565 ?
Cs2 C80 3.751(10) 3_455 ?
Cs2 Sn3 3.8795(12) . ?
Cs2 Sn4 3.9063(12) . ?
Sn1 O1 2.052(5) . ?
Sn1 O1 2.052(5) 3_465 ?
Sn1 O1 2.052(5) 2_675 ?
Sn1 O2 2.070(5) 2_675 ?
Sn1 O2 2.070(5) 3_465 ?
Sn1 O2 2.070(5) . ?
Sn2 O4 2.052(5) 2_675 ?
Sn2 O4 2.052(5) 3_465 ?
Sn2 O4 2.052(5) . ?
Sn2 O3 2.071(5) . ?
Sn2 O3 2.071(5) 2_675 ?
Sn2 O3 2.071(5) 3_465 ?
Sn3 O5 2.057(4) . ?
Sn3 O5 2.057(4) 2_565 ?
Sn3 O5 2.057(4) 3_455 ?
Sn3 O6 2.077(5) . ?
Sn3 O6 2.077(5) 3_455 ?
Sn3 O6 2.077(5) 2_565 ?
Sn4 O8 2.055(5) . ?
Sn4 O8 2.055(5) 3_455 ?
Sn4 O8 2.055(5) 2_565 ?
Sn4 O7 2.075(5) . ?
Sn4 O7 2.075(5) 3_455 ?
Sn4 O7 2.075(5) 2_565 ?
Ag1 P2 2.411(2) . ?
Ag1 P1 2.411(2) . ?
Ag1 O9 2.584(7) . ?
Ag2 Ag3 0.61(8) . ?
Ag2 P4 2.399(4) . ?
Ag2 P3 2.421(5) . ?
Ag3 P3 2.34(3) . ?
Ag3 P4 2.504(15) . ?
P1 C4 1.806(7) . ?
P1 C13 1.810(7) . ?
P1 C7 1.823(8) . ?
P2 C23 1.816(8) . ?
P2 C25 1.823(8) . ?
P2 C31 1.826(8) . ?
P3 C40 1.815(7) . ?
P3 C43 1.817(7) . ?
P3 C49 1.829(7) . ?
P4 C61 1.808(8) . ?
P4 C59 1.813(7) . ?
P4 C67 1.822(7) . ?
O1 C1 1.329(8) . ?
O2 C2 1.351(8) . ?
O3 C19 1.353(8) . ?
O4 C20 1.345(9) . ?
O5 C37 1.335(8) . ?
O6 C38 1.349(8) . ?
O7 C55 1.349(8) . ?
O8 C56 1.354(8) . ?
O9 C73 1.281(12) . ?
O10 C76 1.272(11) . ?
O11 C79 1.215(11) . ?
O12 C82 1.213(13) . ?
O13 C85 1.210(14) . ?
O14 C88 1.073(16) . ?
O15 C91 1.30(3) . ?
N1 C73 1.264(12) . ?
N1 C75 1.431(12) . ?
N1 C74 1.443(12) . ?
N2 C76 1.323(12) . ?
N2 C77 1.471(15) . ?
N2 C78 1.476(14) . ?
N3 C79 1.330(11) . ?
N3 C80 1.433(11) . ?
N3 C81 1.454(11) . ?
N4 C82 1.387(14) . ?
N4 C84 1.410(17) . ?
N4 C83 1.471(16) . ?
N5 C85 1.318(13) . ?
N5 C87 1.442(13) . ?
N5 C86 1.455(11) . ?
N6 C90 1.29(2) . ?
N6 C88 1.292(16) . ?
N6 C89 1.38(3) . ?
N7 C91 1.37(3) . ?
N7 C92 1.552(19) 2_565 ?
N7 C92 1.552(19) 3_455 ?
N7 C92 1.552(19) . ?
C1 C6 1.384(10) . ?
C1 C2 1.426(10) . ?
C2 C3 1.389(10) . ?
C3 C4 1.405(10) . ?
C4 C5 1.409(10) . ?
C5 C6 1.382(10) . ?
C7 C8 1.371(11) . ?
C7 C12 1.386(12) . ?
C8 C9 1.412(13) . ?
C9 C10 1.386(14) . ?
C10 C11 1.373(14) . ?
C11 C12 1.393(13) . ?
C13 C18 1.385(11) . ?
C13 C14 1.406(11) . ?
C14 C15 1.388(11) . ?
C15 C16 1.376(12) . ?
C16 C17 1.363(12) . ?
C17 C18 1.383(11) . ?
C19 C24 1.391(10) . ?
C19 C20 1.427(10) . ?
C20 C21 1.370(10) . ?
C21 C22 1.389(10) . ?
C22 C23 1.389(10) . ?
C23 C24 1.390(10) . ?
C25 C26 1.385(11) . ?
C25 C30 1.398(11) . ?
C26 C27 1.384(12) . ?
C27 C28 1.389(13) . ?
C28 C29 1.392(13) . ?
C29 C30 1.392(12) . ?
C31 C32 1.376(11) . ?
C31 C36 1.377(12) . ?
C32 C33 1.394(12) . ?
C33 C34 1.398(15) . ?
C34 C35 1.388(15) . ?
C35 C36 1.391(13) . ?
C37 C42 1.394(10) . ?
C37 C38 1.430(10) . ?
C38 C39 1.363(9) . ?
C39 C40 1.402(10) . ?
C40 C41 1.395(10) . ?
C41 C42 1.380(10) . ?
C43 C48 1.380(11) . ?
C43 C44 1.394(11) . ?
C44 C45 1.406(12) . ?
C45 C46 1.372(13) . ?
C46 C47 1.370(13) . ?
C47 C48 1.423(11) . ?
C49 C50 1.377(11) . ?
C49 C54 1.420(11) . ?
C50 C51 1.391(12) . ?
C51 C52 1.385(14) . ?
C52 C53 1.423(13) . ?
C53 C54 1.371(11) . ?
C55 C60 1.394(10) . ?
C55 C56 1.410(10) . ?
C56 C57 1.392(10) . ?
C57 C58 1.387(10) . ?
C58 C59 1.391(10) . ?
C59 C60 1.407(10) . ?
C61 C62 1.395(11) . ?
C61 C66 1.398(11) . ?
C62 C63 1.381(12) . ?
C63 C64 1.378(13) . ?
C64 C65 1.357(13) . ?
C65 C66 1.402(12) . ?
C67 C72 1.396(11) . ?
C67 C68 1.396(11) . ?
C68 C69 1.383(11) . ?
C69 C70 1.356(12) . ?
C70 C71 1.372(12) . ?
C71 C72 1.388(11) . ?
C91 O15 1.30(3) 3_455 ?
C91 O15 1.30(3) 2_565 ?
C93 C94 1.58(5) . ?
C94 C95 1.25(5) . ?
C94 C96 1.95(6) . ?
C95 C97 1.21(5) . ?
C95 C96 1.46(5) . ?
C98 C99 1.51(4) 3_455 ?
C98 C99 1.51(4) 2_565 ?
C98 C99 1.51(4) . ?
