data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'ProfD Ulrich Kortz'
_publ_contact_author_address     
;
Department of Chemistry
International University Bremen
P.O. Box 750561
Bremen
28725
GERMANY
;

_publ_contact_author_email       U.KORTZ@IU-BREMEN.DE

_publ_section_title              
;
The Ru (II)-supported heptatungstates
[HXW7O28RU(dmso)3]6 (X = P,As)
;
loop_
_publ_author_name
'Ulrich Kortz'
'Lihua Bi.'
'Michael H. Dickman'
'Ina Dix'

data_test
_database_code_depnum_ccdc_archive 'CCDC 267781'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C6 Cs4 H43 Na2 O43 P Ru S3 W7'
_chemical_formula_weight         2896.4

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n

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'

_cell_length_a                   11.8045(10)
_cell_length_b                   14.1144(12)
_cell_length_c                   30.313(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.363(4)
_cell_angle_gamma                90.00
_cell_volume                     5009.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9639
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      28.27

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7889
_exptl_absorpt_coefficient_mu    19.254
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3770
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 83.33
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            198710
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         1.35
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_full        28.33
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_reflns_number_total             12470
_reflns_number_gt                8913
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker KappaAPEX2'
_computing_cell_refinement       'Bruker KappaAPEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker APEX2'
_computing_publication_material  'Bruker APEX2'

_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.
The heavy atoms (W, Ru, P, Cs, Na, S) were refined anisotropically,
whereas the oxygen and carbon atoms were refined isotropically.
Anisotropic refinement of oxygens does not result in a significant
decrease of the R-value, but it increases the parameters significantly.
One of the cesium counterions (Cs4) was refined with partial occupancy
(0.75) due to disorder.
No hdrogens were included in the refinement.
The remaining electron density is located near a water molecule of
hydration (O11W) and the largest hole is located near a cesium ion (Cs2).
;

_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^)+(0.0531P)^2^+96.6198P] 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    'no hydrogens included'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12470
_refine_ls_number_parameters     350
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_ref         0.1161
_refine_ls_wR_factor_gt          0.1072
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         3.838
_refine_diff_density_min         -3.678
_refine_diff_density_rms         0.333

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
W1 W 0.78400(3) 0.74432(3) 0.696688(12) 0.01235(8) Uani 1 1 d . . .
W2 W 0.62411(3) 0.86377(3) 0.613076(12) 0.01349(9) Uani 1 1 d . . .
W3 W 0.62816(3) 0.62766(3) 0.611047(13) 0.01393(9) Uani 1 1 d . . .
W4 W 1.06647(3) 0.86235(3) 0.728340(13) 0.01574(9) Uani 1 1 d . . .
W5 W 1.07003(3) 0.63179(3) 0.726166(13) 0.01610(9) Uani 1 1 d . . .
W6 W 0.91197(3) 0.96471(3) 0.643571(13) 0.01695(9) Uani 1 1 d . . .
W7 W 0.91854(3) 0.53061(3) 0.640160(14) 0.01828(10) Uani 1 1 d . . .
Ru1 Ru 0.67126(6) 0.75112(5) 0.50906(3) 0.01581(16) Uani 1 1 d . . .
P1 P 0.8766(2) 0.74986(17) 0.59199(8) 0.0150(5) Uani 1 1 d . . .
Cs1 Cs 0.71305(6) 0.99745(6) 0.34045(2) 0.03174(17) Uani 1 1 d . . .
Cs2 Cs 0.70332(6) 0.50222(5) 0.34112(2) 0.03118(17) Uani 1 1 d . . .
Cs3 Cs 0.74697(5) 0.99151(5) 0.75226(2) 0.02643(15) Uani 1 1 d . . .
Cs4 Cs 0.23480(8) 0.75918(6) 0.35792(3) 0.0273(2) Uani 0.75 1 d P . .
Na1 Na 0.5741(4) 0.7535(3) 0.37525(15) 0.0272(9) Uani 1 1 d . . .
S1 S 0.4914(2) 0.73859(18) 0.47647(9) 0.0218(5) Uani 1 1 d . . .
S2 S 0.7145(2) 0.87163(19) 0.46691(9) 0.0235(5) Uani 1 1 d . . .
S3 S 0.7381(2) 0.6455(2) 0.46416(9) 0.0261(6) Uani 1 1 d . . .
O1PR O 0.8366(6) 0.7540(4) 0.5423(2) 0.0189(14) Uiso 1 1 d . . .
O1P1 O 0.7674(5) 0.7470(4) 0.6183(2) 0.0128(12) Uiso 1 1 d . . .
O2P1 O 0.9481(6) 0.8369(5) 0.6072(2) 0.0213(15) Uiso 1 1 d . . .
O3P1 O 0.9485(6) 0.6610(5) 0.6039(2) 0.0211(15) Uiso 1 1 d . . .
O12 O 0.6670(5) 0.8359(4) 0.6773(2) 0.0143(13) Uiso 1 1 d . . .
O13 O 0.6695(5) 0.6523(4) 0.6762(2) 0.0140(13) Uiso 1 1 d . . .
O146 O 0.8908(5) 0.8452(4) 0.6921(2) 0.0144(13) Uiso 1 1 d . . .
O157 O 0.8933(5) 0.6474(5) 0.6898(2) 0.0154(13) Uiso 1 1 d . . .
O1T O 0.7730(6) 0.7419(4) 0.7526(2) 0.0181(14) Uiso 1 1 d . . .
O23 O 0.5436(6) 0.7443(4) 0.6153(2) 0.0157(13) Uiso 1 1 d . . .
O26 O 0.7556(6) 0.9412(5) 0.6191(2) 0.0204(15) Uiso 1 1 d . . .
O2RU O 0.6226(6) 0.8493(5) 0.5542(2) 0.0179(14) Uiso 1 1 d . . .
O2T O 0.5167(6) 0.9448(5) 0.6176(2) 0.0201(15) Uiso 1 1 d . . .
O37 O 0.7614(6) 0.5523(5) 0.6174(2) 0.0192(14) Uiso 1 1 d . . .
O3RU O 0.6298(6) 0.6465(5) 0.5522(2) 0.0181(14) Uiso 1 1 d . . .
O3T O 0.5222(6) 0.5436(5) 0.6135(2) 0.0220(15) Uiso 1 1 d . . .
O45A O 1.0345(6) 0.7452(4) 0.7575(2) 0.0187(14) Uiso 1 1 d . . .
O45B O 1.1000(6) 0.7490(4) 0.6834(2) 0.0185(14) Uiso 1 1 d . . .
O46 O 1.0617(6) 0.9388(5) 0.6762(2) 0.0176(14) Uiso 1 1 d . . .
O4A O 1.0075(6) 0.9389(5) 0.7655(2) 0.0206(15) Uiso 1 1 d . . .
O4B O 1.2131(6) 0.8713(5) 0.7458(2) 0.0218(15) Uiso 1 1 d . . .
O57 O 1.0673(6) 0.5597(5) 0.6728(2) 0.0193(14) Uiso 1 1 d . . .
O5A O 1.0122(6) 0.5522(5) 0.7620(2) 0.0200(15) Uiso 1 1 d . . .
O5B O 1.2168(6) 0.6239(5) 0.7435(2) 0.0224(15) Uiso 1 1 d . . .
O6A O 0.9596(6) 1.0298(5) 0.6012(3) 0.0288(17) Uiso 1 1 d . . .
O6B O 0.8777(6) 1.0529(5) 0.6801(2) 0.0238(16) Uiso 1 1 d . . .
O7A O 0.8883(6) 0.4393(5) 0.6757(2) 0.0255(16) Uiso 1 1 d . . .
O7B O 0.9650(7) 0.4693(6) 0.5966(3) 0.0299(17) Uiso 1 1 d . . .
O1S1 O 0.4562(7) 0.7821(6) 0.4332(3) 0.0356(19) Uiso 1 1 d . . .
O1S2 O 0.7093(7) 0.8587(6) 0.4180(3) 0.0331(18) Uiso 1 1 d . . .
O1S3 O 0.6714(7) 0.6234(6) 0.4210(3) 0.0335(19) Uiso 1 1 d . . .
O1W O 0.3242(7) 0.7486(5) 0.7129(3) 0.0275(17) Uiso 1 1 d . . .
O2W O 0.4516(7) 0.8733(5) 0.3422(3) 0.0296(17) Uiso 1 1 d . . .
O3W O 0.4456(7) 0.6350(6) 0.3449(3) 0.0307(18) Uiso 1 1 d . . .
O4W O 0.7265(9) 0.7462(6) 0.3338(3) 0.045(2) Uiso 1 1 d . . .
O5W O 0.4971(10) 0.7442(7) 0.6940(4) 0.055(3) Uiso 1 1 d . . .
O6W O 1.1518(10) 0.8618(9) 0.5687(4) 0.069(3) Uiso 1 1 d . . .
O7W O 0.8464(10) 0.3415(9) 0.5339(4) 0.071(3) Uiso 1 1 d . . .
O8W O 0.3213(12) 0.7418(8) 0.6446(5) 0.075(4) Uiso 1 1 d . . .
O9W O 0.4706(11) 0.8571(9) 0.7270(4) 0.077(4) Uiso 1 1 d . . .
O10W O 0.8762(11) 1.1508(9) 0.5293(4) 0.077(4) Uiso 1 1 d . . .
O11W O 0.4831(12) 0.6398(10) 0.7294(5) 0.088(4) Uiso 1 1 d . . .
O12W O 1.1525(12) 0.6564(10) 0.5663(5) 0.090(4) Uiso 1 1 d . . .
C1S1 C 0.3950(11) 0.7743(9) 0.5135(4) 0.033(3) Uiso 1 1 d . . .
C2S1 C 0.4455(10) 0.6154(9) 0.4706(4) 0.035(3) Uiso 1 1 d . . .
C1S2 C 0.6222(11) 0.9718(9) 0.4723(4) 0.038(3) Uiso 1 1 d . . .
C2S2 C 0.8492(11) 0.9225(10) 0.4869(4) 0.041(3) Uiso 1 1 d . . .
C1S3 C 0.7740(13) 0.5390(11) 0.4936(5) 0.055(4) Uiso 1 1 d . . .
C2S3 C 0.8760(13) 0.6783(11) 0.4507(5) 0.050(4) Uiso 1 1 d . . .

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
W1 0.00911(16) 0.01248(18) 0.01573(17) 0.00028(14) 0.00259(13) 0.00006(14)
W2 0.01152(18) 0.01233(18) 0.01647(19) -0.00104(14) 0.00126(14) 0.00135(14)
W3 0.01092(18) 0.01185(18) 0.0190(2) -0.00139(14) 0.00199(15) -0.00104(14)
W4 0.01077(18) 0.01614(19) 0.0205(2) -0.00279(15) 0.00267(15) -0.00076(14)
W5 0.01096(18) 0.01560(19) 0.0219(2) 0.00211(15) 0.00275(15) 0.00111(14)
W6 0.01532(19) 0.01458(19) 0.0210(2) -0.00027(15) 0.00242(15) -0.00302(15)
W7 0.01428(19) 0.01449(19) 0.0260(2) -0.00142(16) 0.00228(16) 0.00312(15)
Ru1 0.0148(3) 0.0173(4) 0.0153(3) -0.0022(3) 0.0018(3) -0.0005(3)
P1 0.0106(10) 0.0171(12) 0.0178(11) -0.0016(10) 0.0038(9) 0.0001(9)
Cs1 0.0204(3) 0.0425(4) 0.0325(4) 0.0111(3) 0.0042(3) -0.0078(3)
Cs2 0.0214(3) 0.0388(4) 0.0340(4) -0.0134(3) 0.0065(3) 0.0045(3)
Cs3 0.0171(3) 0.0286(4) 0.0338(4) -0.0153(3) 0.0041(3) 0.0015(3)
Cs4 0.0217(4) 0.0269(5) 0.0322(5) 0.0033(4) -0.0006(4) -0.0002(4)
Na1 0.031(2) 0.025(2) 0.025(2) -0.0025(18) 0.0040(18) -0.0019(18)
S1 0.0177(12) 0.0279(14) 0.0193(12) -0.0025(10) 0.0000(9) 0.0007(10)
S2 0.0281(14) 0.0234(13) 0.0193(12) -0.0024(10) 0.0042(11) -0.0047(11)
S3 0.0260(13) 0.0267(14) 0.0252(13) -0.0082(11) 0.0025(11) 0.0067(11)

_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
W1 O1T 1.715(7) . ?
W1 O157 1.909(6) . ?
W1 O146 1.918(6) . ?
W1 O13 1.919(6) . ?
W1 O12 1.928(6) . ?
W1 O1P1 2.359(6) . ?
W1 Cs3 3.9230(8) . ?
W1 Cs3 3.9251(8) 2_646 ?
W2 O2T 1.726(7) . ?
W2 O2RU 1.794(6) . ?
W2 O26 1.887(7) . ?
W2 O23 1.941(6) . ?
W2 O12 1.988(6) . ?
W2 O1P1 2.352(6) . ?
W3 O3T 1.733(7) . ?
W3 O3RU 1.806(7) . ?
W3 O37 1.888(7) . ?
W3 O23 1.938(6) . ?
W3 O13 2.003(6) . ?
W3 O1P1 2.345(6) . ?
W4 O4B 1.749(7) . ?
W4 O4A 1.767(7) . ?
W4 O46 1.908(6) . ?
W4 O45A 1.934(7) . ?
W4 O45B 2.171(7) . ?
W4 O146 2.232(6) . ?
W4 Cs1 4.0533(8) 3_776 ?
W4 Cs2 4.0665(9) 4_676 ?
W4 Cs3 4.3330(8) . ?
W5 O5B 1.748(7) . ?
W5 O5A 1.760(7) . ?
W5 O57 1.906(7) . ?
W5 O45A 1.935(7) . ?
W5 O45B 2.159(7) . ?
W5 O157 2.242(6) . ?
W5 Cs2 4.0367(8) 3_766 ?
W5 Cs1 4.0841(9) 4_676 ?
W5 Cs3 4.3564(8) 2_646 ?
W6 O6A 1.731(8) . ?
W6 O6B 1.749(7) . ?
W6 O26 1.929(7) . ?
W6 O46 1.947(7) . ?
W6 O2P1 2.184(7) . ?
W6 O146 2.273(6) . ?
W6 Cs3 4.0542(8) . ?
W6 Cs4 4.2628(10) 3_676 ?
W6 Cs1 4.4231(9) 3_776 ?
W7 O7B 1.725(8) . ?
W7 O7A 1.745(7) . ?
W7 O37 1.919(7) . ?
W7 O57 1.946(7) . ?
W7 O3P1 2.195(7) . ?
W7 O157 2.279(6) . ?
W7 Cs3 4.0485(8) 2_646 ?
W7 Cs2 4.4511(9) 3_766 ?
W7 Cs4 4.4762(10) 3_666 ?
Ru1 O3RU 2.072(7) . ?
Ru1 O1PR 2.079(7) . ?
Ru1 O2RU 2.080(7) . ?
Ru1 S2 2.226(3) . ?
Ru1 S3 2.230(3) . ?
Ru1 S1 2.231(3) . ?
P1 O1PR 1.520(7) . ?
P1 O2P1 1.528(7) . ?
P1 O3P1 1.531(7) . ?
P1 O1P1 1.601(7) . ?
Cs1 O46 2.912(7) 3_776 ?
Cs1 O1S2 3.064(8) . ?
Cs1 O5A 3.214(7) 4_575 ?
Cs1 O2T 3.243(7) 3_676 ?
Cs1 O5B 3.407(7) 4_575 ?
Cs1 O4B 3.407(7) 3_776 ?
Cs1 O9W 3.458(13) 3_676 ?
Cs1 O2W 3.555(8) . ?
Cs1 O4W 3.557(9) . ?
Cs1 O6W 3.598(12) 3_776 ?
Cs1 O8W 3.736(11) 3_676 ?
Cs1 Na1 4.012(4) . ?
Cs2 O57 2.928(7) 3_766 ?
Cs2 O1S3 3.027(8) . ?
Cs2 O4A 3.151(7) 4_575 ?
Cs2 O3T 3.215(7) 3_666 ?
Cs2 O5B 3.355(7) 3_766 ?
Cs2 O4B 3.412(7) 4_575 ?
Cs2 O4W 3.464(9) . ?
Cs2 O8W 3.489(11) 3_666 ?
Cs2 O11W 3.496(14) 3_666 ?
Cs2 O3W 3.588(8) . ?
Cs2 W5 4.0367(8) 3_766 ?
Cs2 Na1 4.047(4) . ?
Cs3 O7A 2.960(7) 2_656 ?
Cs3 O6B 2.963(7) . ?
Cs3 O4A 3.139(7) . ?
Cs3 O5A 3.152(7) 2_656 ?
Cs3 O13 3.207(6) 2_656 ?
Cs3 O12 3.213(6) . ?
Cs3 O146 3.357(6) . ?
Cs3 O157 3.378(6) 2_656 ?
Cs3 O1T 3.536(6) . ?
Cs3 O1T 3.544(6) 2_656 ?
Cs3 O9W 3.767(13) . ?
Cs3 O11W 3.793(14) 2_656 ?
Cs4 O3W 3.110(8) . ?
Cs4 O2W 3.112(8) . ?
Cs4 O6B 3.120(7) 3_676 ?
Cs4 O1S1 3.258(9) . ?
Cs4 O7A 3.258(7) 3_666 ?
Cs4 O1T 3.283(7) 4_575 ?
Cs4 O7W 3.806(12) 3_666 ?
Cs4 Na1 3.973(5) . ?
Cs4 W6 4.2628(10) 3_676 ?
Cs4 W7 4.4762(10) 3_666 ?
Cs4 Cs3 4.7871(12) 4_575 ?
Cs4 Cs3 4.8752(12) 3_676 ?
Na1 O4W 2.325(11) . ?
Na1 O2W 2.362(9) . ?
Na1 O3W 2.364(9) . ?
Na1 O1S1 2.412(10) . ?
Na1 O1S2 2.428(9) . ?
Na1 O1S3 2.492(9) . ?
Na1 S1 3.344(5) . ?
S1 O1S1 1.459(9) . ?
S1 C1S1 1.771(13) . ?
S1 C2S1 1.823(13) . ?
S2 O1S2 1.488(8) . ?
S2 C2S2 1.778(13) . ?
S2 C1S2 1.805(13) . ?
S3 O1S3 1.471(8) . ?
S3 C1S3 1.772(16) . ?
S3 C2S3 1.788(15) . ?
O13 Cs3 3.207(6) 2_646 ?
O157 Cs3 3.378(6) 2_646 ?
O1T Cs4 3.283(7) 4_676 ?
O1T Cs3 3.544(6) 2_646 ?
O2T Cs1 3.243(7) 3_676 ?
O3T Cs2 3.215(7) 3_666 ?
O46 Cs1 2.912(6) 3_776 ?
O4A Cs2 3.151(7) 4_676 ?
O4B Cs1 3.407(7) 3_776 ?
O4B Cs2 3.412(7) 4_676 ?
O57 Cs2 2.928(7) 3_766 ?
O5A Cs3 3.152(7) 2_646 ?
O5A Cs1 3.214(7) 4_676 ?
O5B Cs2 3.355(7) 3_766 ?
O5B Cs1 3.407(7) 4_676 ?
O6B Cs4 3.120(7) 3_676 ?
O7A Cs3 2.960(7) 2_646 ?
O7A Cs4 3.258(7) 3_666 ?
O6W Cs1 3.598(12) 3_776 ?
O7W Cs4 3.806(12) 3_666 ?
O8W Cs2 3.489(11) 3_666 ?
O8W Cs1 3.736(11) 3_676 ?
O9W Cs1 3.458(13) 3_676 ?
O11W Cs2 3.496(14) 3_666 ?
O11W Cs3 3.793(14) 2_646 ?

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
O1T W1 O157 103.3(3) . . ?
O1T W1 O146 102.7(3) . . ?
O157 W1 O146 93.7(3) . . ?
O1T W1 O13 99.6(3) . . ?
O157 W1 O13 86.4(3) . . ?
O146 W1 O13 157.0(3) . . ?
O1T W1 O12 99.9(3) . . ?
O157 W1 O12 156.2(3) . . ?
O146 W1 O12 86.1(3) . . ?
O13 W1 O12 84.7(3) . . ?
O1T W1 O1P1 171.0(3) . . ?
O157 W1 O1P1 82.7(2) . . ?
O146 W1 O1P1 83.4(2) . . ?
O13 W1 O1P1 73.8(2) . . ?
O12 W1 O1P1 73.7(2) . . ?
O1T W1 Cs3 64.3(2) . . ?
O157 W1 Cs3 142.90(19) . . ?
O146 W1 Cs3 58.78(19) . . ?
O13 W1 Cs3 128.90(19) . . ?
O12 W1 Cs3 54.50(19) . . ?
O1P1 W1 Cs3 114.74(14) . . ?
O1T W1 Cs3 64.5(2) . 2_646 ?
O157 W1 Cs3 59.35(19) . 2_646 ?
O146 W1 Cs3 142.99(19) . 2_646 ?
O13 W1 Cs3 54.23(19) . 2_646 ?
O12 W1 Cs3 129.07(19) . 2_646 ?
O1P1 W1 Cs3 114.33(14) . 2_646 ?
Cs3 W1 Cs3 128.174(11) . 2_646 ?
O2T W2 O2RU 104.0(3) . . ?
O2T W2 O26 102.3(3) . . ?
O2RU W2 O26 93.7(3) . . ?
O2T W2 O23 101.8(3) . . ?
O2RU W2 O23 89.6(3) . . ?
O26 W2 O23 154.1(3) . . ?
O2T W2 O12 98.6(3) . . ?
O2RU W2 O12 157.1(3) . . ?
O26 W2 O12 85.3(3) . . ?
O23 W2 O12 81.9(3) . . ?
O2T W2 O1P1 171.1(3) . . ?
O2RU W2 O1P1 84.4(3) . . ?
O26 W2 O1P1 79.8(3) . . ?
O23 W2 O1P1 74.9(2) . . ?
O12 W2 O1P1 72.8(2) . . ?
O3T W3 O3RU 104.0(3) . . ?
O3T W3 O37 101.9(3) . . ?
O3RU W3 O37 94.0(3) . . ?
O3T W3 O23 101.4(3) . . ?
O3RU W3 O23 90.6(3) . . ?
O37 W3 O23 154.3(3) . . ?
O3T W3 O13 99.4(3) . . ?
O3RU W3 O13 156.3(3) . . ?
O37 W3 O13 84.4(3) . . ?
O23 W3 O13 81.3(3) . . ?
O3T W3 O1P1 171.7(3) . . ?
O3RU W3 O1P1 83.7(3) . . ?
O37 W3 O1P1 80.2(3) . . ?
O23 W3 O1P1 75.2(2) . . ?
O13 W3 O1P1 72.7(2) . . ?
O4B W4 O4A 102.7(3) . . ?
O4B W4 O46 97.6(3) . . ?
O4A W4 O46 102.1(3) . . ?
O4B W4 O45A 99.6(3) . . ?
O4A W4 O45A 96.6(3) . . ?
O46 W4 O45A 151.0(3) . . ?
O4B W4 O45B 89.4(3) . . ?
O4A W4 O45B 165.8(3) . . ?
O46 W4 O45B 83.4(3) . . ?
O45A W4 O45B 73.7(3) . . ?
O4B W4 O146 167.9(3) . . ?
O4A W4 O146 87.9(3) . . ?
O46 W4 O146 74.2(3) . . ?
O45A W4 O146 84.8(3) . . ?
O45B W4 O146 81.0(2) . . ?
O4B W4 Cs1 56.2(2) . 3_776 ?
O4A W4 Cs1 111.2(2) . 3_776 ?
O46 W4 Cs1 41.5(2) . 3_776 ?
O45A W4 Cs1 145.9(2) . 3_776 ?
O45B W4 Cs1 81.74(18) . 3_776 ?
O146 W4 Cs1 114.65(16) . 3_776 ?
O4B W4 Cs2 56.0(2) . 4_676 ?
O4A W4 Cs2 47.4(2) . 4_676 ?
O46 W4 Cs2 113.3(2) . 4_676 ?
O45A W4 Cs2 95.6(2) . 4_676 ?
O45B W4 Cs2 142.16(18) . 4_676 ?
O146 W4 Cs2 135.14(16) . 4_676 ?
Cs1 W4 Cs2 89.480(17) 3_776 4_676 ?
O4B W4 Cs3 140.2(2) . . ?
O4A W4 Cs3 38.2(2) . . ?
O46 W4 Cs3 88.1(2) . . ?
O45A W4 Cs3 93.3(2) . . ?
O45B W4 Cs3 130.36(18) . . ?
O146 W4 Cs3 49.79(16) . . ?
Cs1 W4 Cs3 120.713(18) 3_776 . ?
Cs2 W4 Cs3 85.530(16) 4_676 . ?
O5B W5 O5A 102.8(3) . . ?
O5B W5 O57 97.4(3) . . ?
O5A W5 O57 102.5(3) . . ?
O5B W5 O45A 100.0(3) . . ?
O5A W5 O45A 95.8(3) . . ?
O57 W5 O45A 151.2(3) . . ?
O5B W5 O45B 89.9(3) . . ?
O5A W5 O45B 165.0(3) . . ?
O57 W5 O45B 83.4(3) . . ?
O45A W5 O45B 73.9(3) . . ?
O5B W5 O157 167.9(3) . . ?
O5A W5 O157 87.4(3) . . ?
O57 W5 O157 73.9(3) . . ?
O45A W5 O157 85.0(3) . . ?
O45B W5 O157 81.0(2) . . ?
O5B W5 Cs2 55.0(2) . 3_766 ?
O5A W5 Cs2 110.3(2) . 3_766 ?
O57 W5 Cs2 42.4(2) . 3_766 ?
O45A W5 Cs2 146.6(2) . 3_766 ?
O45B W5 Cs2 83.41(18) . 3_766 ?
O157 W5 Cs2 115.69(16) . 3_766 ?
O5B W5 Cs1 55.3(2) . 4_676 ?
O5A W5 Cs1 48.9(2) . 4_676 ?
O57 W5 Cs1 116.2(2) . 4_676 ?
O45A W5 Cs1 92.6(2) . 4_676 ?
O45B W5 Cs1 140.37(18) . 4_676 ?
O157 W5 Cs1 135.90(16) . 4_676 ?
Cs2 W5 Cs1 89.464(17) 3_766 4_676 ?
O5B W5 Cs3 139.7(2) . 2_646 ?
O5A W5 Cs3 37.7(2) . 2_646 ?
O57 W5 Cs3 87.9(2) . 2_646 ?
O45A W5 Cs3 93.3(2) . 2_646 ?
O45B W5 Cs3 130.41(19) . 2_646 ?
O157 W5 Cs3 49.85(16) . 2_646 ?
Cs2 W5 Cs3 120.041(18) 3_766 2_646 ?
Cs1 W5 Cs3 86.521(16) 4_676 2_646 ?
O6A W6 O6B 102.5(3) . . ?
O6A W6 O26 101.0(3) . . ?
O6B W6 O26 94.6(3) . . ?
O6A W6 O46 96.7(3) . . ?
O6B W6 O46 94.6(3) . . ?
O26 W6 O46 157.8(3) . . ?
O6A W6 O2P1 87.8(3) . . ?
O6B W6 O2P1 169.7(3) . . ?
O26 W6 O2P1 84.4(3) . . ?
O46 W6 O2P1 83.0(3) . . ?
O6A W6 O146 161.3(3) . . ?
O6B W6 O146 93.7(3) . . ?
O26 W6 O146 86.7(3) . . ?
O46 W6 O146 72.5(2) . . ?
O2P1 W6 O146 76.0(2) . . ?
O6A W6 Cs3 142.1(3) . . ?
O6B W6 Cs3 40.9(2) . . ?
O26 W6 Cs3 78.1(2) . . ?
O46 W6 Cs3 95.95(19) . . ?
O2P1 W6 Cs3 129.23(18) . . ?
O146 W6 Cs3 55.89(16) . . ?
O6A W6 Cs4 71.2(3) . 3_676 ?
O6B W6 Cs4 39.6(2) . 3_676 ?
O26 W6 Cs4 77.6(2) . 3_676 ?
O46 W6 Cs4 121.2(2) . 3_676 ?
O2P1 W6 Cs4 148.76(18) . 3_676 ?
O146 W6 Cs4 127.39(16) . 3_676 ?
Cs3 W6 Cs4 71.723(18) . 3_676 ?
O6A W6 Cs1 66.5(3) . 3_776 ?
O6B W6 Cs1 98.9(2) . 3_776 ?
O26 W6 Cs1 163.4(2) . 3_776 ?
O46 W6 Cs1 30.26(19) . 3_776 ?
O2P1 W6 Cs1 84.12(18) . 3_776 ?
O146 W6 Cs1 102.14(16) . 3_776 ?
Cs3 W6 Cs1 118.556(17) . 3_776 ?
Cs4 W6 Cs1 106.884(18) 3_676 3_776 ?
O7B W7 O7A 102.2(4) . . ?
O7B W7 O37 101.1(3) . . ?
O7A W7 O37 94.3(3) . . ?
O7B W7 O57 98.1(3) . . ?
O7A W7 O57 94.8(3) . . ?
O37 W7 O57 156.5(3) . . ?
O7B W7 O3P1 87.1(3) . . ?
O7A W7 O3P1 170.7(3) . . ?
O37 W7 O3P1 84.1(3) . . ?
O57 W7 O3P1 83.4(3) . . ?
O7B W7 O157 161.8(3) . . ?
O7A W7 O157 94.2(3) . . ?
O37 W7 O157 85.4(3) . . ?
O57 W7 O157 72.3(3) . . ?
O3P1 W7 O157 76.5(2) . . ?
O7B W7 Cs3 141.4(3) . 2_646 ?
O7A W7 Cs3 40.9(2) . 2_646 ?
O37 W7 Cs3 76.5(2) . 2_646 ?
O57 W7 Cs3 96.64(19) . 2_646 ?
O3P1 W7 Cs3 130.01(18) . 2_646 ?
O157 W7 Cs3 56.54(16) . 2_646 ?
O7B W7 Cs2 68.5(3) . 3_766 ?
O7A W7 Cs2 97.2(2) . 3_766 ?
O37 W7 Cs2 165.9(2) . 3_766 ?
O57 W7 Cs2 29.83(19) . 3_766 ?
O3P1 W7 Cs2 85.86(18) . 3_766 ?
O157 W7 Cs2 101.83(16) . 3_766 ?
Cs3 W7 Cs2 117.563(17) 2_646 3_766 ?
O7B W7 Cs4 73.8(3) . 3_666 ?
O7A W7 Cs4 37.1(2) . 3_666 ?
O37 W7 Cs4 77.1(2) . 3_666 ?
O57 W7 Cs4 121.8(2) . 3_666 ?
O3P1 W7 Cs4 149.75(18) . 3_666 ?
O157 W7 Cs4 124.43(16) . 3_666 ?
Cs3 W7 Cs4 68.115(17) 2_646 3_666 ?
Cs2 W7 Cs4 107.689(17) 3_766 3_666 ?
O3RU Ru1 O1PR 89.5(3) . . ?
O3RU Ru1 O2RU 87.2(3) . . ?
O1PR Ru1 O2RU 89.4(3) . . ?
O3RU Ru1 S2 175.5(2) . . ?
O1PR Ru1 S2 89.6(2) . . ?
O2RU Ru1 S2 88.4(2) . . ?
O3RU Ru1 S3 92.3(2) . . ?
O1PR Ru1 S3 85.7(2) . . ?
O2RU Ru1 S3 175.1(2) . . ?
S2 Ru1 S3 92.01(11) . . ?
O3RU Ru1 S1 86.2(2) . . ?
O1PR Ru1 S1 175.7(2) . . ?
O2RU Ru1 S1 90.97(19) . . ?
S2 Ru1 S1 94.68(10) . . ?
S3 Ru1 S1 93.90(10) . . ?
O1PR P1 O2P1 111.0(4) . . ?
O1PR P1 O3P1 110.9(4) . . ?
O2P1 P1 O3P1 108.7(4) . . ?
O1PR P1 O1P1 109.1(4) . . ?
O2P1 P1 O1P1 108.5(4) . . ?
O3P1 P1 O1P1 108.6(4) . . ?
O46 Cs1 O1S2 115.7(2) 3_776 . ?
O46 Cs1 O5A 122.84(17) 3_776 4_575 ?
O1S2 Cs1 O5A 110.3(2) . 4_575 ?
O46 Cs1 O2T 144.93(18) 3_776 3_676 ?
O1S2 Cs1 O2T 76.41(19) . 3_676 ?
O5A Cs1 O2T 76.71(17) 4_575 3_676 ?
O46 Cs1 O5B 83.82(17) 3_776 4_575 ?
O1S2 Cs1 O5B 110.09(19) . 4_575 ?
O5A Cs1 O5B 48.83(17) 4_575 4_575 ?
O2T Cs1 O5B 124.63(17) 3_676 4_575 ?
O46 Cs1 O4B 50.93(17) 3_776 3_776 ?
O1S2 Cs1 O4B 165.10(19) . 3_776 ?
O5A Cs1 O4B 77.74(17) 4_575 3_776 ?
O2T Cs1 O4B 118.21(17) 3_676 3_776 ?
O5B Cs1 O4B 65.09(17) 4_575 3_776 ?
O46 Cs1 O9W 103.4(2) 3_776 3_676 ?
O1S2 Cs1 O9W 139.8(3) . 3_676 ?
O5A Cs1 O9W 49.1(2) 4_575 3_676 ?
O2T Cs1 O9W 65.8(2) 3_676 3_676 ?
O5B Cs1 O9W 82.2(2) 4_575 3_676 ?
O4B Cs1 O9W 55.0(2) 3_776 3_676 ?
O46 Cs1 O2W 165.59(18) 3_776 . ?
O1S2 Cs1 O2W 64.9(2) . . ?
O5A Cs1 O2W 49.02(17) 4_575 . ?
O2T Cs1 O2W 49.23(17) 3_676 . ?
O5B Cs1 O2W 82.67(17) 4_575 . ?
O4B Cs1 O2W 125.98(17) 3_776 . ?
O9W Cs1 O2W 79.7(3) 3_676 . ?
O46 Cs1 O4W 104.5(2) 3_776 . ?
O1S2 Cs1 O4W 54.0(2) . . ?
O5A Cs1 O4W 77.0(2) 4_575 . ?
O2T Cs1 O4W 108.6(2) 3_676 . ?
O5B Cs1 O4W 56.2(2) 4_575 . ?
O4B Cs1 O4W 118.7(2) 3_776 . ?
O9W Cs1 O4W 126.0(3) 3_676 . ?
O2W Cs1 O4W 63.5(2) . . ?
O46 Cs1 O6W 68.7(2) 3_776 3_776 ?
O1S2 Cs1 O6W 79.3(2) . 3_776 ?
O5A Cs1 O6W 154.1(2) 4_575 3_776 ?
O2T Cs1 O6W 82.7(2) 3_676 3_776 ?
O5B Cs1 O6W 152.1(2) 4_575 3_776 ?
O4B Cs1 O6W 98.9(2) 3_776 3_776 ?
O9W Cs1 O6W 107.9(3) 3_676 3_776 ?
O2W Cs1 O6W 124.1(2) . 3_776 ?
O4W Cs1 O6W 125.1(3) . 3_776 ?
O46 Cs1 O8W 80.4(3) 3_776 3_676 ?
O1S2 Cs1 O8W 121.6(3) . 3_676 ?
O5A Cs1 O8W 102.9(3) 4_575 3_676 ?
O2T Cs1 O8W 66.1(2) 3_676 3_676 ?
O5B Cs1 O8W 127.8(2) 4_575 3_676 ?
O4B Cs1 O8W 66.4(2) 3_776 3_676 ?
O9W Cs1 O8W 54.4(3) 3_676 3_676 ?
O2W Cs1 O8W 112.1(3) . 3_676 ?
O4W Cs1 O8W 174.4(3) . 3_676 ?
O6W Cs1 O8W 53.7(3) 3_776 3_676 ?
O46 Cs1 Na1 136.37(15) 3_776 . ?
O1S2 Cs1 Na1 37.18(16) . . ?
O5A Cs1 Na1 73.73(14) 4_575 . ?
O2T Cs1 Na1 73.87(14) 3_676 . ?
O5B Cs1 Na1 81.16(13) 4_575 . ?
O4B Cs1 Na1 145.26(14) 3_776 . ?
O9W Cs1 Na1 114.7(2) 3_676 . ?
O2W Cs1 Na1 35.74(14) . . ?
O4W Cs1 Na1 35.13(18) . . ?
O6W Cs1 Na1 115.4(2) 3_776 . ?
O8W Cs1 Na1 139.4(2) 3_676 . ?
O57 Cs2 O1S3 119.8(2) 3_766 . ?
O57 Cs2 O4A 125.43(18) 3_766 4_575 ?
O1S3 Cs2 O4A 106.1(2) . 4_575 ?
O57 Cs2 O3T 146.51(18) 3_766 3_666 ?
O1S3 Cs2 O3T 65.0(2) . 3_666 ?
O4A Cs2 O3T 78.08(17) 4_575 3_666 ?
O57 Cs2 O5B 51.33(18) 3_766 3_766 ?
O1S3 Cs2 O5B 170.82(19) . 3_766 ?
O4A Cs2 O5B 80.56(17) 4_575 3_766 ?
O3T Cs2 O5B 123.35(17) 3_666 3_766 ?
O57 Cs2 O4B 84.33(18) 3_766 4_575 ?
O1S3 Cs2 O4B 113.8(2) . 4_575 ?
O4A Cs2 O4B 49.25(17) 4_575 4_575 ?
O3T Cs2 O4B 125.98(17) 3_666 4_575 ?
O5B Cs2 O4B 65.58(17) 3_766 4_575 ?
O57 Cs2 O4W 101.8(2) 3_766 . ?
O1S3 Cs2 O4W 60.6(2) . . ?
O4A Cs2 O4W 75.4(2) 4_575 . ?
O3T Cs2 O4W 107.7(2) 3_666 . ?
O5B Cs2 O4W 116.5(2) 3_766 . ?
O4B Cs2 O4W 54.1(2) 4_575 . ?
O57 Cs2 O8W 79.4(3) 3_766 3_666 ?
O1S3 Cs2 O8W 115.9(3) . 3_666 ?
O4A Cs2 O8W 106.6(3) 4_575 3_666 ?
O3T Cs2 O8W 70.2(3) 3_666 3_666 ?
O5B Cs2 O8W 66.9(3) 3_766 3_666 ?
O4B Cs2 O8W 129.4(3) 4_575 3_666 ?
O4W Cs2 O8W 176.5(3) . 3_666 ?
O57 Cs2 O11W 105.2(3) 3_766 3_666 ?
O1S3 Cs2 O11W 132.8(3) . 3_666 ?
O4A Cs2 O11W 50.3(3) 4_575 3_666 ?
O3T Cs2 O11W 69.8(3) 3_666 3_666 ?
O5B Cs2 O11W 56.3(3) 3_766 3_666 ?
O4B Cs2 O11W 82.5(3) 4_575 3_666 ?
O4W Cs2 O11W 125.4(3) . 3_666 ?
O8W Cs2 O11W 56.9(3) 3_666 3_666 ?
O57 Cs2 O3W 164.68(18) 3_766 . ?
O1S3 Cs2 O3W 59.1(2) . . ?
O4A Cs2 O3W 48.63(17) 4_575 . ?
O3T Cs2 O3W 48.65(18) 3_666 . ?
O5B Cs2 O3W 128.61(17) 3_766 . ?
O4B Cs2 O3W 82.79(17) 4_575 . ?
O4W Cs2 O3W 63.7(2) . . ?
O8W Cs2 O3W 115.3(3) 3_666 . ?
O11W Cs2 O3W 81.3(3) 3_666 . ?
O57 Cs2 W5 26.07(13) 3_766 3_766 ?
O1S3 Cs2 W5 145.83(15) . 3_766 ?
O4A Cs2 W5 103.19(12) 4_575 3_766 ?
O3T Cs2 W5 139.54(13) 3_666 3_766 ?
O5B Cs2 W5 25.27(12) 3_766 3_766 ?
O4B Cs2 W5 73.77(12) 4_575 3_766 ?
O4W Cs2 W5 111.74(17) . 3_766 ?
O8W Cs2 W5 70.8(2) 3_666 3_766 ?
O11W Cs2 W5 80.1(2) 3_666 3_766 ?
O3W Cs2 W5 151.71(13) . 3_766 ?
O57 Cs2 Na1 133.19(15) 3_766 . ?
O1S3 Cs2 Na1 37.90(17) . . ?
O4A Cs2 Na1 71.89(14) 4_575 . ?
O3T Cs2 Na1 72.97(14) 3_666 . ?
O5B Cs2 Na1 144.32(14) 3_766 . ?
O4B Cs2 Na1 79.20(13) 4_575 . ?
O4W Cs2 Na1 34.98(18) . . ?
O8W Cs2 Na1 142.5(2) 3_666 . ?
O11W Cs2 Na1 115.5(2) 3_666 . ?
O3W Cs2 Na1 35.43(14) . . ?
W5 Cs2 Na1 146.68(7) 3_766 . ?
O7A Cs3 O6B 177.27(19) 2_656 . ?
O7A Cs3 O4A 117.31(19) 2_656 . ?
O6B Cs3 O4A 64.50(19) . . ?
O7A Cs3 O5A 64.07(19) 2_656 2_656 ?
O6B Cs3 O5A 114.06(18) . 2_656 ?
O4A Cs3 O5A 177.85(17) . 2_656 ?
O7A Cs3 O13 79.93(18) 2_656 2_656 ?
O6B Cs3 O13 98.50(18) . 2_656 ?
O4A Cs3 O13 82.51(17) . 2_656 ?
O5A Cs3 O13 96.26(17) 2_656 2_656 ?
O7A Cs3 O12 102.36(18) 2_656 . ?
O6B Cs3 O12 79.18(18) . . ?
O4A Cs3 O12 97.08(17) . . ?
O5A Cs3 O12 84.08(17) 2_656 . ?
O13 Cs3 O12 177.56(15) 2_656 . ?
O7A Cs3 O146 127.32(18) 2_656 . ?
O6B Cs3 O146 55.36(18) . . ?
O4A Cs3 O146 50.85(16) . . ?
O5A Cs3 O146 129.96(17) 2_656 . ?
O13 Cs3 O146 132.07(16) 2_656 . ?
O12 Cs3 O146 47.06(15) . . ?
O7A Cs3 O157 55.38(18) 2_656 2_656 ?
O6B Cs3 O157 121.94(18) . 2_656 ?
O4A Cs3 O157 128.68(17) . 2_656 ?
O5A Cs3 O157 50.39(16) 2_656 2_656 ?
O13 Cs3 O157 46.84(16) 2_656 2_656 ?
O12 Cs3 O157 133.90(16) . 2_656 ?
O146 Cs3 O157 177.30(15) . 2_656 ?
O7A Cs3 O1T 78.77(18) 2_656 . ?
O6B Cs3 O1T 103.89(18) . . ?
O4A Cs3 O1T 71.36(17) . . ?
O5A Cs3 O1T 110.71(17) 2_656 . ?
O13 Cs3 O1T 133.19(16) 2_656 . ?
O12 Cs3 O1T 48.58(16) . . ?
O146 Cs3 O1T 48.59(16) . . ?
O157 Cs3 O1T 134.12(16) 2_656 . ?
O7A Cs3 O1T 103.84(18) 2_656 2_656 ?
O6B Cs3 O1T 73.50(18) . 2_656 ?
O4A Cs3 O1T 107.48(17) . 2_656 ?
O5A Cs3 O1T 70.43(17) 2_656 2_656 ?
O13 Cs3 O1T 48.31(16) 2_656 2_656 ?
O12 Cs3 O1T 129.83(16) . 2_656 ?
O146 Cs3 O1T 128.82(16) . 2_656 ?
O157 Cs3 O1T 48.47(16) 2_656 2_656 ?
O1T Cs3 O1T 177.37(2) . 2_656 ?
O7A Cs3 O9W 59.3(2) 2_656 . ?
O6B Cs3 O9W 121.1(2) . . ?
O4A Cs3 O9W 135.7(2) . . ?
O5A Cs3 O9W 46.3(2) 2_656 . ?
O13 Cs3 O9W 132.6(2) 2_656 . ?
O12 Cs3 O9W 49.0(2) . . ?
O146 Cs3 O9W 93.7(2) . . ?
O157 Cs3 O9W 88.0(2) 2_656 . ?
O1T Cs3 O9W 64.6(2) . . ?
O1T Cs3 O9W 116.3(2) 2_656 . ?
O7A Cs3 O11W 123.5(3) 2_656 2_656 ?
O6B Cs3 O11W 55.9(3) . 2_656 ?
O4A Cs3 O11W 47.2(3) . 2_656 ?
O5A Cs3 O11W 130.7(3) 2_656 2_656 ?
O13 Cs3 O11W 48.0(2) 2_656 2_656 ?
O12 Cs3 O11W 130.3(2) . 2_656 ?
O146 Cs3 O11W 86.9(2) . 2_656 ?
O157 Cs3 O11W 91.3(2) 2_656 2_656 ?
O1T Cs3 O11W 118.6(2) . 2_656 ?
O1T Cs3 O11W 60.4(2) 2_656 2_656 ?
O9W Cs3 O11W 175.6(3) . 2_656 ?
O3W Cs4 O2W 65.5(2) . . ?
O3W Cs4 O6B 137.9(2) . 3_676 ?
O2W Cs4 O6B 79.81(19) . 3_676 ?
O3W Cs4 O1S1 64.0(2) . . ?
O2W Cs4 O1S1 56.9(2) . . ?
O6B Cs4 O1S1 116.1(2) 3_676 . ?
O3W Cs4 O7A 78.93(19) . 3_666 ?
O2W Cs4 O7A 137.73(19) . 3_666 ?
O6B Cs4 O7A 117.6(2) 3_676 3_666 ?
O1S1 Cs4 O7A 126.1(2) . 3_666 ?
O3W Cs4 O1T 70.23(19) . 4_575 ?
O2W Cs4 O1T 68.60(18) . 4_575 ?
O6B Cs4 O1T 75.47(17) 3_676 4_575 ?
O1S1 Cs4 O1T 118.97(19) . 4_575 ?
O7A Cs4 O1T 78.67(17) 3_666 4_575 ?
O3W Cs4 O7W 101.1(2) . 3_666 ?
O2W Cs4 O7W 128.9(2) . 3_666 ?
O6B Cs4 O7W 119.6(2) 3_676 3_666 ?
O1S1 Cs4 O7W 72.6(2) . 3_666 ?
O7A Cs4 O7W 78.3(2) 3_666 3_666 ?
O1T Cs4 O7W 156.6(2) 4_575 3_666 ?
O3W Cs4 Na1 36.49(16) . . ?
O2W Cs4 Na1 36.45(15) . . ?
O6B Cs4 Na1 116.11(15) 3_676 . ?
O1S1 Cs4 Na1 37.34(16) . . ?
O7A Cs4 Na1 115.20(14) 3_666 . ?
O1T Cs4 Na1 82.33(14) 4_575 . ?
O7W Cs4 Na1 103.85(19) 3_666 . ?
O3W Cs4 W6 147.63(15) . 3_676 ?
O2W Cs4 W6 82.32(14) . 3_676 ?
O6B Cs4 W6 20.92(13) 3_676 3_676 ?
O1S1 Cs4 W6 101.84(16) . 3_676 ?
O7A Cs4 W6 128.19(13) 3_666 3_676 ?
O1T Cs4 W6 95.76(11) 4_575 3_676 ?
O7W Cs4 W6 101.74(19) 3_666 3_676 ?
Na1 Cs4 W6 114.91(6) . 3_676 ?
O3W Cs4 W7 79.53(15) . 3_666 ?
O2W Cs4 W7 144.77(14) . 3_666 ?
O6B Cs4 W7 128.88(13) 3_676 3_666 ?
O1S1 Cs4 W7 111.77(16) . 3_666 ?
O7A Cs4 W7 18.83(13) 3_666 3_666 ?
O1T Cs4 W7 96.59(11) 4_575 3_666 ?
O7W Cs4 W7 60.06(19) 3_666 3_666 ?
Na1 Cs4 W7 112.48(6) . 3_666 ?
W6 Cs4 W7 132.15(2) 3_676 3_666 ?
O3W Cs4 Cs3 53.51(15) . 4_575 ?
O2W Cs4 Cs3 100.63(14) . 4_575 ?
O6B Cs4 Cs3 115.38(13) 3_676 4_575 ?
O1S1 Cs4 Cs3 116.87(15) . 4_575 ?
O7A Cs4 Cs3 37.44(13) 3_666 4_575 ?
O1T Cs4 Cs3 47.62(11) 4_575 4_575 ?
O7W Cs4 Cs3 109.44(19) 3_666 4_575 ?
Na1 Cs4 Cs3 87.56(6) . 4_575 ?
W6 Cs4 Cs3 135.70(2) 3_676 4_575 ?
W7 Cs4 Cs3 51.698(14) 3_666 4_575 ?
O3W Cs4 Cs3 102.32(15) . 3_676 ?
O2W Cs4 Cs3 54.00(14) . 3_676 ?
O6B Cs4 Cs3 35.63(13) 3_676 3_676 ?
O1S1 Cs4 Cs3 107.85(15) . 3_676 ?
O7A Cs4 Cs3 117.63(13) 3_666 3_676 ?
O1T Cs4 Cs3 46.62(11) 4_575 3_676 ?
O7W Cs4 Cs3 153.83(19) 3_666 3_676 ?
Na1 Cs4 Cs3 88.44(6) . 3_676 ?
W6 Cs4 Cs3 52.151(14) 3_676 3_676 ?
W7 Cs4 Cs3 136.21(2) 3_666 3_676 ?
Cs3 Cs4 Cs3 93.864(18) 4_575 3_676 ?
O4W Na1 O2W 106.1(3) . . ?
O4W Na1 O3W 105.1(3) . . ?
O2W Na1 O3W 90.8(3) . . ?
O4W Na1 O1S1 163.8(4) . . ?
O2W Na1 O1S1 79.1(3) . . ?
O3W Na1 O1S1 90.0(3) . . ?
O4W Na1 O1S2 79.3(3) . . ?
O2W Na1 O1S2 96.5(3) . . ?
O3W Na1 O1S2 170.1(3) . . ?
O1S1 Na1 O1S2 84.9(3) . . ?
O4W Na1 O1S3 86.3(3) . . ?
O2W Na1 O1S3 167.7(3) . . ?
O3W Na1 O1S3 85.5(3) . . ?
O1S1 Na1 O1S3 89.2(3) . . ?
O1S2 Na1 O1S3 85.9(3) . . ?
O4W Na1 S1 146.2(3) . . ?
O2W Na1 S1 101.5(2) . . ?
O3W Na1 S1 93.7(2) . . ?
O1S1 Na1 S1 22.8(2) . . ?
O1S2 Na1 S1 78.4(2) . . ?
O1S3 Na1 S1 67.1(2) . . ?
O4W Na1 Cs4 140.0(3) . . ?
O2W Na1 Cs4 51.5(2) . . ?
O3W Na1 Cs4 51.5(2) . . ?
O1S1 Na1 Cs4 55.0(2) . . ?
O1S2 Na1 Cs4 129.8(2) . . ?
O1S3 Na1 Cs4 118.2(2) . . ?
S1 Na1 Cs4 73.41(10) . . ?
O4W Na1 Cs1 61.7(2) . . ?
O2W Na1 Cs1 61.5(2) . . ?
O3W Na1 Cs1 140.2(2) . . ?
O1S1 Na1 Cs1 110.0(2) . . ?
O1S2 Na1 Cs1 49.7(2) . . ?
O1S3 Na1 Cs1 127.2(2) . . ?
S1 Na1 Cs1 118.21(12) . . ?
Cs4 Na1 Cs1 112.77(10) . . ?
O4W Na1 Cs2 58.7(2) . . ?
O2W Na1 Cs2 138.5(2) . . ?
O3W Na1 Cs2 61.6(2) . . ?
O1S1 Na1 Cs2 127.2(3) . . ?
O1S2 Na1 Cs2 115.4(2) . . ?
O1S3 Na1 Cs2 48.3(2) . . ?
S1 Na1 Cs2 110.07(12) . . ?
Cs4 Na1 Cs2 112.97(10) . . ?
Cs1 Na1 Cs2 120.31(11) . . ?
O1S1 S1 C1S1 108.5(5) . . ?
O1S1 S1 C2S1 105.5(5) . . ?
C1S1 S1 C2S1 97.3(6) . . ?
O1S1 S1 Ru1 120.7(4) . . ?
C1S1 S1 Ru1 110.4(4) . . ?
C2S1 S1 Ru1 111.9(4) . . ?
O1S1 S1 Na1 39.8(3) . . ?
C1S1 S1 Na1 148.3(4) . . ?
C2S1 S1 Na1 95.1(4) . . ?
Ru1 S1 Na1 91.60(12) . . ?
O1S2 S2 C2S2 108.1(5) . . ?
O1S2 S2 C1S2 103.8(5) . . ?
C2S2 S2 C1S2 100.2(6) . . ?
O1S2 S2 Ru1 119.7(3) . . ?
C2S2 S2 Ru1 112.0(4) . . ?
C1S2 S2 Ru1 111.2(4) . . ?
O1S3 S3 C1S3 109.5(6) . . ?
O1S3 S3 C2S3 104.5(6) . . ?
C1S3 S3 C2S3 99.7(7) . . ?
O1S3 S3 Ru1 119.6(3) . . ?
C1S3 S3 Ru1 109.9(5) . . ?
C2S3 S3 Ru1 111.7(5) . . ?
P1 O1PR Ru1 129.3(4) . . ?
P1 O1P1 W3 124.8(3) . . ?
P1 O1P1 W2 124.5(3) . . ?
W3 O1P1 W2 90.4(2) . . ?
P1 O1P1 W1 122.3(3) . . ?
W3 O1P1 W1 92.8(2) . . ?
W2 O1P1 W1 92.6(2) . . ?
P1 O2P1 W6 132.9(4) . . ?
P1 O3P1 W7 133.2(4) . . ?
W1 O12 W2 120.9(3) . . ?
W1 O12 Cs3 96.3(2) . . ?
W2 O12 Cs3 124.9(3) . . ?
W1 O13 W3 120.6(3) . . ?
W1 O13 Cs3 96.7(2) . 2_646 ?
W3 O13 Cs3 124.0(3) . 2_646 ?
W1 O146 W4 128.5(3) . . ?
W1 O146 W6 136.5(3) . . ?
W4 O146 W6 93.8(2) . . ?
W1 O146 Cs3 92.0(2) . . ?
W4 O146 Cs3 99.7(2) . . ?
W6 O146 Cs3 90.01(19) . . ?
W1 O157 W5 128.1(3) . . ?
W1 O157 W7 137.5(3) . . ?
W5 O157 W7 93.5(2) . . ?
W1 O157 Cs3 91.6(2) . 2_646 ?
W5 O157 Cs3 99.7(2) . 2_646 ?
W7 O157 Cs3 89.21(19) . 2_646 ?
W1 O1T Cs4 176.3(4) . 4_676 ?
W1 O1T Cs3 89.7(2) . . ?
Cs4 O1T Cs3 89.10(16) 4_676 . ?
W1 O1T Cs3 89.6(2) . 2_646 ?
Cs4 O1T Cs3 91.07(16) 4_676 2_646 ?
Cs3 O1T Cs3 171.1(2) . 2_646 ?
W3 O23 W2 118.5(3) . . ?
W2 O26 W6 150.6(4) . . ?
W2 O2RU Ru1 139.7(4) . . ?
W2 O2T Cs1 149.1(3) . 3_676 ?
W3 O37 W7 151.8(4) . . ?
W3 O3RU Ru1 139.6(4) . . ?
W3 O3T Cs2 142.9(3) . 3_666 ?
W4 O45A W5 114.6(3) . . ?
W5 O45B W4 97.5(3) . . ?
W4 O46 W6 117.1(3) . . ?
W4 O46 Cs1 112.8(3) . 3_776 ?
W6 O46 Cs1 130.1(3) . 3_776 ?
W4 O4A Cs3 121.5(3) . . ?
W4 O4A Cs2 108.2(3) . 4_676 ?
Cs3 O4A Cs2 130.3(2) . 4_676 ?
W4 O4B Cs1 98.5(3) . 3_776 ?
W4 O4B Cs2 98.8(3) . 4_676 ?
Cs1 O4B Cs2 113.9(2) 3_776 4_676 ?
W5 O57 W7 117.4(3) . . ?
W5 O57 Cs2 111.5(3) . 3_766 ?
W7 O57 Cs2 130.9(3) . 3_766 ?
W5 O5A Cs3 122.4(3) . 2_646 ?
W5 O5A Cs1 106.7(3) . 4_676 ?
Cs3 O5A Cs1 130.8(2) 2_646 4_676 ?
W5 O5B Cs2 99.7(3) . 3_766 ?
W5 O5B Cs1 99.8(3) . 4_676 ?
Cs2 O5B Cs1 115.4(2) 3_766 4_676 ?
W6 O6B Cs3 116.4(3) . . ?
W6 O6B Cs4 119.5(3) . 3_676 ?
Cs3 O6B Cs4 106.5(2) . 3_676 ?
W7 O7A Cs3 116.3(3) . 2_646 ?
W7 O7A Cs4 124.1(3) . 3_666 ?
Cs3 O7A Cs4 100.6(2) 2_646 3_666 ?
S1 O1S1 Na1 117.4(5) . . ?
S1 O1S1 Cs4 134.3(5) . . ?
Na1 O1S1 Cs4 87.6(3) . . ?
S2 O1S2 Na1 123.2(5) . . ?
S2 O1S2 Cs1 133.1(4) . . ?
Na1 O1S2 Cs1 93.1(3) . . ?
S3 O1S3 Na1 119.6(5) . . ?
S3 O1S3 Cs2 136.4(4) . . ?
Na1 O1S3 Cs2 93.8(3) . . ?
Na1 O2W Cs4 92.0(3) . . ?
Na1 O2W Cs1 82.7(2) . . ?
Cs4 O2W Cs1 171.9(3) . . ?
Na1 O3W Cs4 92.1(3) . . ?
Na1 O3W Cs2 83.0(2) . . ?
Cs4 O3W Cs2 173.7(3) . . ?
Na1 O4W Cs2 86.4(3) . . ?
Na1 O4W Cs1 83.2(3) . . ?
Cs2 O4W Cs1 169.4(3) . . ?
Cs2 O8W Cs1 161.0(4) 3_666 3_676 ?
Cs1 O9W Cs3 106.4(3) 3_676 . ?
Cs2 O11W Cs3 103.0(3) 3_666 2_646 ?

#====END

data_ruas
_database_code_depnum_ccdc_archive 'CCDC 267782'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'As C6 Cs2 H35 Na4 O39 Ru S3 W7'
_chemical_formula_weight         2648.5

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   14.8022(6)
_cell_length_b                   23.4210(10)
_cell_length_c                   16.4215(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.0370(10)
_cell_angle_gamma                90.00
_cell_volume                     5689.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    8851
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      31.64

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    2.940
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4421
_exptl_absorpt_coefficient_mu    16.012
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1127
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        0
_diffrn_reflns_number            55622
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0503
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.52
_diffrn_reflns_theta_max         32.88
_diffrn_reflns_theta_full        32.88
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measured_fraction_theta_full 0.931
_reflns_number_total             19788
_reflns_number_gt                13528
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker KappaAPEX2'
_computing_cell_refinement       'Bruker KappaAPEX2'
_computing_data_reduction        'Bruker APEX2'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker APEX2'
_computing_publication_material  'Bruker APEX2'

_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.
Most of the heavy atoms (W, Ru, As, S) and two of the five cesium ions
were refined anisotropically, whereas the oxygen, carbon and sodium atoms
were all refined isotropically.
One sodium (Na4) and all cesium counterions were refined with partial
occupancies due to disorder. As a result, Cs3, Cs4 and Cs5 could not be
refined anisotropically.
No hdrogens were included in the refinement.
The remaining electron density is located near a cesium counterion (Cs1)
and the largest hole is located near a tungsten atom (W1).
;

_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^)+(0.1526P)^2^+0.0000P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         19788
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1018
_refine_ls_R_factor_gt           0.0663
_refine_ls_wR_factor_ref         0.2349
_refine_ls_wR_factor_gt          0.1959
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         5.406
_refine_diff_density_min         -4.836
_refine_diff_density_rms         0.995

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
W1 W 0.08130(3) 0.55481(2) 0.68102(3) 0.03177(11) Uani 1 1 d . . .
W2 W 0.19038(3) 0.44128(2) 0.76452(3) 0.03561(12) Uani 1 1 d . . .
W3 W 0.23919(3) 0.48067(2) 0.57691(3) 0.03151(11) Uani 1 1 d . . .
W4 W 0.05496(4) 0.67393(2) 0.83150(3) 0.03990(13) Uani 1 1 d . . .
W5 W 0.09820(3) 0.71369(2) 0.64670(3) 0.03588(12) Uani 1 1 d . . .
W6 W 0.16904(4) 0.56338(2) 0.90484(3) 0.04156(13) Uani 1 1 d . . .
W7 W 0.25152(3) 0.63704(2) 0.55444(3) 0.03294(11) Uani 1 1 d . . .
As As 0.31505(8) 0.57018(5) 0.73951(8) 0.0324(2) Uani 1 1 d . . .
Ru Ru 0.43023(7) 0.44909(4) 0.71782(6) 0.0348(2) Uani 1 1 d . . .
S1 S 0.4426(2) 0.35524(15) 0.6905(2) 0.0431(7) Uani 1 1 d . . .
S2 S 0.5572(2) 0.46893(15) 0.6543(2) 0.0430(7) Uani 1 1 d . . .
S3 S 0.5024(3) 0.44172(17) 0.8385(2) 0.0478(8) Uani 1 1 d . . .
Cs1 Cs 0.83799(14) 0.46617(9) 0.65298(18) 0.0644(6) Uani 0.50 1 d P . .
Cs2 Cs 0.14438(16) 0.34700(10) 0.40268(17) 0.0655(6) Uani 0.50 1 d P . .
Cs3 Cs -0.0239(7) 0.6545(4) 1.0457(6) 0.059(2) Uiso 0.13 1 d P . .
Cs4 Cs -0.0499(7) 0.6740(4) 1.0427(6) 0.0538(18) Uiso 0.13 1 d P . .
Cs5 Cs 0.3860(15) 0.3408(9) 1.1721(13) 0.130(6) Uiso 0.13 1 d P . .
Na1 Na 0.6655(5) 0.3564(3) 0.7589(4) 0.0520(14) Uiso 1 1 d . . .
Na2 Na 0.0299(4) 0.8328(2) 0.9265(4) 0.0436(12) Uiso 1 1 d . . .
Na3 Na 0.6154(6) 0.2668(4) 0.5911(5) 0.072(2) Uiso 1 1 d . . .
Na4 Na 0.6138(8) 0.3350(5) 0.9560(7) 0.042(2) Uiso 0.50 1 d P . .
C1S1 C 0.3969(15) 0.3131(9) 0.7709(13) 0.070(5) Uiso 1 1 d . . .
C2S1 C 0.3689(14) 0.3365(8) 0.6045(12) 0.063(4) Uiso 1 1 d . . .
C1S2 C 0.5486(12) 0.4444(7) 0.5516(11) 0.052(3) Uiso 1 1 d . . .
C2S2 C 0.5710(12) 0.5448(7) 0.6375(11) 0.055(4) Uiso 1 1 d . . .
C1S3 C 0.4271(15) 0.4502(9) 0.9198(13) 0.067(5) Uiso 1 1 d . . .
C2S3 C 0.5747(14) 0.5022(9) 0.8637(13) 0.066(5) Uiso 1 1 d . . .
O7A O 0.1823(7) 0.6431(4) 0.4665(6) 0.0408(19) Uiso 1 1 d . . .
O37 O 0.2683(7) 0.5564(4) 0.5447(6) 0.0389(19) Uiso 1 1 d . . .
O57 O 0.2156(6) 0.7111(4) 0.6009(6) 0.0376(18) Uiso 1 1 d . . .
O6B O 0.2454(10) 0.5636(5) 0.9874(8) 0.062(3) Uiso 1 1 d . . .
O46 O 0.1432(7) 0.6444(4) 0.9090(6) 0.043(2) Uiso 1 1 d . . .
O6A O 0.0690(10) 0.5404(6) 0.9486(8) 0.066(3) Uiso 1 1 d . . .
O2A1 O 0.2830(7) 0.5938(4) 0.8315(6) 0.045(2) Uiso 1 1 d . . .
O2T O 0.1431(8) 0.3791(5) 0.8038(7) 0.052(2) Uiso 1 1 d . . .
O4B O 0.0506(8) 0.7423(5) 0.8692(7) 0.053(3) Uiso 1 1 d . . .
O7B O 0.3557(7) 0.6620(4) 0.5218(6) 0.043(2) Uiso 1 1 d . . .
O13 O 0.1151(6) 0.5137(4) 0.5841(6) 0.0361(17) Uiso 1 1 d . . .
O5A O 0.0290(7) 0.7069(4) 0.5586(6) 0.045(2) Uiso 1 1 d . . .
O3T O 0.2266(7) 0.4478(4) 0.4828(6) 0.044(2) Uiso 1 1 d . . .
O3RU O 0.3530(6) 0.4628(4) 0.6101(6) 0.0357(17) Uiso 1 1 d . . .
O1S1 O 0.5333(8) 0.3323(5) 0.6736(7) 0.049(2) Uiso 1 1 d . . .
O1S3 O 0.5572(8) 0.3896(5) 0.8540(7) 0.053(3) Uiso 1 1 d . . .
O1S2 O 0.6469(8) 0.4477(5) 0.6897(7) 0.051(2) Uiso 1 1 d . . .
O2RU O 0.3108(7) 0.4295(4) 0.7721(6) 0.0401(19) Uiso 1 1 d . . .
O23 O 0.1905(6) 0.4236(4) 0.6476(6) 0.0376(18) Uiso 1 1 d . . .
O12 O 0.0771(6) 0.4815(4) 0.7332(6) 0.0379(18) Uiso 1 1 d . . .
O1T O -0.0327(7) 0.5637(4) 0.6574(6) 0.044(2) Uiso 1 1 d . . .
O5B O 0.0950(8) 0.7866(4) 0.6673(7) 0.049(2) Uiso 1 1 d . . .
O3A1 O 0.3206(7) 0.6260(4) 0.6762(6) 0.046(2) Uiso 1 1 d . . .
O4A O -0.0421(8) 0.6409(5) 0.8656(7) 0.054(3) Uiso 1 1 d . . .
O146 O 0.0998(6) 0.5869(4) 0.7871(6) 0.0379(18) Uiso 1 1 d . . .
O157 O 0.1362(6) 0.6196(3) 0.6328(5) 0.0325(16) Uiso 1 1 d . . .
O45A O 0.0103(6) 0.6856(4) 0.7209(6) 0.0386(18) Uiso 1 1 d . . .
O1A1 O 0.2319(5) 0.5248(3) 0.7022(5) 0.0299(15) Uiso 1 1 d . . .
O26 O 0.1928(7) 0.4913(4) 0.8579(6) 0.045(2) Uiso 1 1 d . . .
O45B O 0.1716(7) 0.6982(4) 0.7614(6) 0.042(2) Uiso 1 1 d . . .
O1AR O 0.4134(7) 0.5365(4) 0.7464(6) 0.043(2) Uiso 1 1 d . . .
O1W O 0.7828(15) 0.3848(9) 0.8507(13) 0.049(5) Uiso 0.50 1 d P . .
O2W O -0.0691(12) 0.5885(7) 1.0324(11) 0.034(3) Uiso 0.50 1 d P . .
O3W O 0.6395(9) 0.2759(6) 0.8352(8) 0.064(3) Uiso 1 1 d . . .
O4W O 0.7467(8) 0.3023(5) 0.6706(7) 0.050(2) Uiso 1 1 d . . .
O5W O 0.7270(9) 0.2137(5) 0.5231(8) 0.062(3) Uiso 1 1 d . . .
O6W O 0.9551(9) 0.3681(5) 0.7123(8) 0.060(3) Uiso 1 1 d . . .
O7W O 0.1286(10) 0.3228(6) 0.5786(9) 0.071(3) Uiso 1 1 d . . .
O8W O 0.9900(8) 0.4283(5) 0.5427(8) 0.056(3) Uiso 1 1 d . . .
O9W O 0.5686(14) 0.3940(8) 1.0601(13) 0.045(4) Uiso 0.50 1 d P . .
O10W O 0.5030(17) 0.2365(10) 0.4925(15) 0.055(5) Uiso 0.50 1 d P . .

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
W1 0.0274(2) 0.0357(2) 0.0324(2) -0.00325(16) 0.00388(17) -0.00262(15)
W2 0.0358(2) 0.0354(2) 0.0361(3) 0.00156(17) 0.00775(19) -0.00171(16)
W3 0.0299(2) 0.0340(2) 0.0307(2) -0.00323(16) 0.00285(16) -0.00076(15)
W4 0.0386(3) 0.0458(3) 0.0356(3) -0.0067(2) 0.0058(2) 0.00433(19)
W5 0.0334(2) 0.0385(2) 0.0358(3) -0.00452(18) 0.00222(19) -0.00009(17)
W6 0.0481(3) 0.0459(3) 0.0311(2) -0.00207(19) 0.0067(2) 0.0021(2)
W7 0.0313(2) 0.0343(2) 0.0335(2) 0.00108(17) 0.00437(17) -0.00120(16)
As 0.0285(5) 0.0350(5) 0.0336(6) -0.0026(4) -0.0006(4) -0.0005(4)
Ru 0.0312(4) 0.0382(4) 0.0353(5) 0.0005(4) 0.0031(4) 0.0036(3)
S1 0.0383(16) 0.0408(15) 0.0503(19) 0.0002(13) 0.0032(14) 0.0033(12)
S2 0.0353(15) 0.0478(17) 0.0462(18) 0.0031(14) 0.0058(13) 0.0015(12)
S3 0.0435(18) 0.059(2) 0.0413(18) 0.0010(15) -0.0010(14) 0.0116(15)
Cs1 0.0431(10) 0.0533(10) 0.0976(18) 0.0067(11) 0.0133(11) -0.0030(8)
Cs2 0.0493(11) 0.0606(12) 0.0857(17) 0.0024(11) -0.0091(11) -0.0035(9)

_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
W1 O1T 1.731(11) . ?
W1 O157 1.907(8) . ?
W1 O146 1.908(9) . ?
W1 O12 1.921(9) . ?
W1 O13 1.940(9) . ?
W1 O1A1 2.352(8) . ?
W1 Cs1 4.168(2) 1_455 ?
W1 Cs2 4.244(2) 3_566 ?
W2 O2T 1.748(12) . ?
W2 O2RU 1.803(10) . ?
W2 O26 1.930(10) . ?
W2 O23 1.964(9) . ?
W2 O12 1.975(9) . ?
W2 O1A1 2.301(8) . ?
W3 O3T 1.731(10) . ?
W3 O3RU 1.801(9) . ?
W3 O37 1.905(9) . ?
W3 O23 1.927(9) . ?
W3 O13 2.001(9) . ?
W3 O1A1 2.308(8) . ?
W3 Cs1 4.099(3) 3_666 ?
W3 Cs2 4.435(3) . ?
W4 O4B 1.718(11) . ?
W4 O4A 1.741(12) . ?
W4 O46 1.920(10) . ?
W4 O45A 1.930(10) . ?
W4 O45B 2.183(10) . ?
W4 O146 2.272(9) . ?
W4 Cs3 3.773(10) . ?
W4 Cs4 3.851(9) . ?
W5 O5A 1.749(11) . ?
W5 O5B 1.741(11) . ?
W5 O57 1.919(9) . ?
W5 O45A 1.930(9) . ?
W5 O45B 2.172(10) . ?
W5 O157 2.287(8) . ?
W5 Cs4 3.791(9) 4_575 ?
W5 Cs3 3.915(10) 4_575 ?
W5 Cs2 3.920(2) 3_566 ?
W6 O6B 1.734(14) . ?
W6 O6A 1.753(14) . ?
W6 O26 1.893(10) . ?
W6 O46 1.938(10) . ?
W6 O146 2.226(9) . ?
W6 O2A1 2.225(10) . ?
W6 Cs3 4.306(11) . ?
W7 O7A 1.747(10) . ?
W7 O7B 1.752(10) . ?
W7 O37 1.912(9) . ?
W7 O57 1.975(9) . ?
W7 O157 2.212(8) . ?
W7 O3A1 2.229(11) . ?
W7 Cs1 4.345(3) 3_666 ?
As O1AR 1.655(10) . ?
As O3A1 1.673(10) . ?
As O2A1 1.692(11) . ?
As O1A1 1.723(8) . ?
Ru O2RU 2.059(10) . ?
Ru O3RU 2.096(9) . ?
Ru O1AR 2.118(10) . ?
Ru S3 2.224(4) . ?
Ru S2 2.231(3) . ?
Ru S1 2.252(4) . ?
S1 O1S1 1.481(12) . ?
S1 C2S1 1.81(2) . ?
S1 C1S1 1.80(2) . ?
S2 O1S2 1.515(12) . ?
S2 C1S2 1.781(18) . ?
S2 C2S2 1.810(18) . ?
S2 Cs1 4.157(4) . ?
S3 O1S3 1.482(12) . ?
S3 C1S3 1.78(2) . ?
S3 C2S3 1.81(2) . ?
Cs1 O1S2 2.945(12) . ?
Cs1 O1T 2.980(10) 1_655 ?
Cs1 O6W 3.018(13) . ?
Cs1 O8W 3.068(13) . ?
Cs1 O3T 3.129(10) 3_666 ?
Cs1 O7A 3.231(10) 3_666 ?
Cs1 O37 3.596(10) 3_666 ?
Cs1 O12 3.750(10) 1_655 ?
Cs1 Na2 3.932(6) 2_646 ?
Cs1 Na1 4.059(7) . ?
Cs1 W3 4.099(3) 3_666 ?
Cs2 O1T 2.821(10) 3_566 ?
Cs2 O7W 2.961(15) . ?
Cs2 O3T 2.945(10) . ?
Cs2 O5A 2.950(11) 3_566 ?
Cs2 O45A 3.101(10) 3_566 ?
Cs2 Na2 3.893(6) 2_546 ?
Cs2 W5 3.920(2) 3_566 ?
Cs2 W1 4.244(2) 3_566 ?
Cs2 Cs4 4.389(10) 2_546 ?
Cs2 Cs1 4.479(3) 3_666 ?
Cs2 Cs3 4.932(11) 2_546 ?
Cs3 Cs4 0.598(11) . ?
Cs3 O2W 1.70(2) . ?
Cs3 O5B 2.957(15) 4_576 ?
Cs3 O4A 2.977(16) . ?
Cs3 O2T 3.186(15) 3_567 ?
Cs3 O5A 3.343(14) 4_576 ?
Cs3 O6A 3.426(17) . ?
Cs3 O46 3.407(14) . ?
Cs3 O4B 3.750(15) . ?
Cs3 W5 3.915(10) 4_576 ?
Cs4 O2W 2.030(19) . ?
Cs4 O4A 3.016(15) . ?
Cs4 O5A 3.031(13) 4_576 ?
Cs4 O5B 3.054(15) 4_576 ?
Cs4 O2T 3.170(15) 3_567 ?
Cs4 O4B 3.632(15) . ?
Cs4 O46 3.732(14) . ?
Cs4 W5 3.791(9) 4_576 ?
Cs4 Na2 4.363(11) . ?
Cs4 Cs2 4.389(10) 2_556 ?
Cs5 O9W 3.55(3) . ?
Cs5 C2S3 3.77(3) 3_667 ?
Cs5 Na3 4.47(2) 4_566 ?
Cs5 Na4 4.98(2) . ?
Cs5 Cs2 5.30(2) 1_556 ?
Na1 O4W 2.298(13) . ?
Na1 O3W 2.303(15) . ?
Na1 O1W 2.35(2) . ?
Na1 O1S3 2.405(14) . ?
Na1 O1S1 2.432(13) . ?
Na1 O1S2 2.432(13) . ?
Na1 Na4 3.388(13) . ?
Na1 Na3 3.524(11) . ?
Na2 O8W 2.314(13) 2_656 ?
Na2 O4B 2.344(13) . ?
Na2 O7W 2.357(17) 2_556 ?
Na2 O5A 2.362(12) 4_576 ?
Na2 O7A 2.394(12) 4_576 ?
Na2 O6W 2.442(14) 2_656 ?
Na2 Cs2 3.893(6) 2_556 ?
Na2 Cs1 3.932(6) 2_656 ?
Na3 O5W 2.377(16) . ?
Na3 O1S1 2.406(14) . ?
Na3 O10W 2.39(3) . ?
Na3 O4W 2.449(15) . ?
Na3 O7B 2.540(13) 3_666 ?
Na3 Na4 3.255(14) 4_565 ?
Na3 Cs5 4.47(2) 4_565 ?
Na4 O1S3 2.247(16) . ?
Na4 O5W 2.278(18) 4_566 ?
Na4 O9W 2.32(2) . ?
Na4 O10W 2.43(3) 4_566 ?
Na4 O3W 2.458(18) . ?
Na4 Na3 3.255(14) 4_566 ?
C2S3 Cs5 3.77(3) 3_667 ?
O7A Na2 2.394(12) 4_575 ?
O7A Cs1 3.231(10) 3_666 ?
O37 Cs1 3.596(10) 3_666 ?
O2T Cs4 3.170(15) 3_567 ?
O2T Cs3 3.186(15) 3_567 ?
O7B Na3 2.540(13) 3_666 ?
O5A Na2 2.362(12) 4_575 ?
O5A Cs2 2.950(11) 3_566 ?
O5A Cs4 3.031(13) 4_575 ?
O5A Cs3 3.343(14) 4_575 ?
O3T Cs1 3.129(10) 3_666 ?
O12 Cs1 3.750(10) 1_455 ?
O1T Cs2 2.821(10) 3_566 ?
O1T Cs1 2.980(10) 1_455 ?
O5B Cs3 2.957(15) 4_575 ?
O5B Cs4 3.054(14) 4_575 ?
O45A Cs2 3.101(10) 3_566 ?
O5W Na4 2.278(18) 4_565 ?
O6W Na2 2.442(14) 2_646 ?
O7W Na2 2.357(16) 2_546 ?
O8W Na2 2.314(13) 2_646 ?
O10W Na4 2.43(3) 4_565 ?

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
O1T W1 O157 103.7(4) . . ?
O1T W1 O146 105.3(4) . . ?
O157 W1 O146 90.9(4) . . ?
O1T W1 O12 99.3(4) . . ?
O157 W1 O12 156.6(4) . . ?
O146 W1 O12 87.1(4) . . ?
O1T W1 O13 98.8(4) . . ?
O157 W1 O13 85.9(4) . . ?
O146 W1 O13 155.7(4) . . ?
O12 W1 O13 86.3(4) . . ?
O1T W1 O1A1 168.8(4) . . ?
O157 W1 O1A1 83.3(3) . . ?
O146 W1 O1A1 83.0(3) . . ?
O12 W1 O1A1 73.3(3) . . ?
O13 W1 O1A1 72.7(3) . . ?
O1T W1 Cs1 37.2(3) . 1_455 ?
O157 W1 Cs1 136.9(3) . 1_455 ?
O146 W1 Cs1 113.1(3) . 1_455 ?
O12 W1 Cs1 64.1(3) . 1_455 ?
O13 W1 Cs1 84.8(3) . 1_455 ?
O1A1 W1 Cs1 132.70(19) . 1_455 ?
O1T W1 Cs2 27.4(3) . 3_566 ?
O157 W1 Cs2 77.1(3) . 3_566 ?
O146 W1 Cs2 99.7(3) . 3_566 ?
O12 W1 Cs2 126.2(3) . 3_566 ?
O13 W1 Cs2 103.1(3) . 3_566 ?
O1A1 W1 Cs2 160.24(19) . 3_566 ?
Cs1 W1 Cs2 64.34(5) 1_455 3_566 ?
O2T W2 O2RU 104.8(5) . . ?
O2T W2 O26 102.0(5) . . ?
O2RU W2 O26 92.7(4) . . ?
O2T W2 O23 101.5(5) . . ?
O2RU W2 O23 90.0(4) . . ?
O26 W2 O23 154.7(4) . . ?
O2T W2 O12 98.4(5) . . ?
O2RU W2 O12 156.7(4) . . ?
O26 W2 O12 84.7(4) . . ?
O23 W2 O12 82.9(4) . . ?
O2T W2 O1A1 171.3(4) . . ?
O2RU W2 O1A1 83.2(4) . . ?
O26 W2 O1A1 80.8(4) . . ?
O23 W2 O1A1 74.6(3) . . ?
O12 W2 O1A1 73.5(3) . . ?
O3T W3 O3RU 103.7(4) . . ?
O3T W3 O37 100.6(4) . . ?
O3RU W3 O37 94.7(4) . . ?
O3T W3 O23 101.5(4) . . ?
O3RU W3 O23 91.3(4) . . ?
O37 W3 O23 155.0(4) . . ?
O3T W3 O13 98.9(4) . . ?
O3RU W3 O13 157.3(4) . . ?
O37 W3 O13 82.7(4) . . ?
O23 W3 O13 82.4(4) . . ?
O3T W3 O1A1 171.2(4) . . ?
O3RU W3 O1A1 84.7(3) . . ?
O37 W3 O1A1 81.3(3) . . ?
O23 W3 O1A1 75.1(3) . . ?
O13 W3 O1A1 72.7(3) . . ?
O3T W3 Cs1 45.2(3) . 3_666 ?
O3RU W3 Cs1 125.2(3) . 3_666 ?
O37 W3 Cs1 61.3(3) . 3_666 ?
O23 W3 Cs1 131.9(3) . 3_666 ?
O13 W3 Cs1 73.2(3) . 3_666 ?
O1A1 W3 Cs1 131.7(2) . 3_666 ?
O3T W3 Cs2 24.3(3) . . ?
O3RU W3 Cs2 107.6(3) . . ?
O37 W3 Cs2 123.2(3) . . ?
O23 W3 Cs2 77.4(3) . . ?
O13 W3 Cs2 92.3(3) . . ?
O1A1 W3 Cs2 150.1(2) . . ?
Cs1 W3 Cs2 63.18(5) 3_666 . ?
O4B W4 O4A 104.8(5) . . ?
O4B W4 O46 97.5(5) . . ?
O4A W4 O46 100.2(5) . . ?
O4B W4 O45A 101.0(5) . . ?
O4A W4 O45A 96.1(5) . . ?
O46 W4 O45A 151.3(4) . . ?
O4B W4 O45B 89.3(5) . . ?
O4A W4 O45B 164.1(5) . . ?
O46 W4 O45B 84.9(4) . . ?
O45A W4 O45B 73.6(4) . . ?
O4B W4 O146 165.2(5) . . ?
O4A W4 O146 87.7(4) . . ?
O46 W4 O146 72.0(4) . . ?
O45A W4 O146 85.4(4) . . ?
O45B W4 O146 79.6(3) . . ?
O4B W4 Cs3 76.1(4) . . ?
O4A W4 Cs3 50.2(4) . . ?
O46 W4 Cs3 64.2(3) . . ?
O45A W4 Cs3 141.9(3) . . ?
O45B W4 Cs3 143.1(3) . . ?
O146 W4 Cs3 107.2(3) . . ?
O4B W4 Cs4 69.7(4) . . ?
O4A W4 Cs4 49.2(4) . . ?
O46 W4 Cs4 71.9(3) . . ?
O45A W4 Cs4 135.4(3) . . ?
O45B W4 Cs4 145.7(3) . . ?
O146 W4 Cs4 114.9(3) . . ?
Cs3 W4 Cs4 8.92(17) . . ?
O5A W5 O5B 103.3(5) . . ?
O5A W5 O57 100.6(4) . . ?
O5B W5 O57 98.0(5) . . ?
O5A W5 O45A 95.9(4) . . ?
O5B W5 O45A 100.8(5) . . ?
O57 W5 O45A 151.3(4) . . ?
O5A W5 O45B 164.2(4) . . ?
O5B W5 O45B 90.6(4) . . ?
O57 W5 O45B 84.4(4) . . ?
O45A W5 O45B 73.9(4) . . ?
O5A W5 O157 88.2(4) . . ?
O5B W5 O157 166.4(4) . . ?
O57 W5 O157 72.6(3) . . ?
O45A W5 O157 84.8(3) . . ?
O45B W5 O157 78.9(3) . . ?
O5A W5 Cs4 51.6(4) . 4_575 ?
O5B W5 Cs4 52.3(4) . 4_575 ?
O57 W5 Cs4 111.3(3) . 4_575 ?
O45A W5 Cs4 97.4(3) . 4_575 ?
O45B W5 Cs4 140.4(3) . 4_575 ?
O157 W5 Cs4 139.8(3) . 4_575 ?
O5A W5 Cs3 58.2(4) . 4_575 ?
O5B W5 Cs3 45.1(4) . 4_575 ?
O57 W5 Cs3 105.7(3) . 4_575 ?
O45A W5 Cs3 103.0(3) . 4_575 ?
O45B W5 Cs3 135.1(3) . 4_575 ?
O157 W5 Cs3 145.9(3) . 4_575 ?
Cs4 W5 Cs3 8.70(17) 4_575 4_575 ?
O5A W5 Cs2 44.9(3) . 3_566 ?
O5B W5 Cs2 111.4(4) . 3_566 ?
O57 W5 Cs2 138.0(3) . 3_566 ?
O45A W5 Cs2 51.2(3) . 3_566 ?
O45B W5 Cs2 123.0(3) . 3_566 ?
O157 W5 Cs2 81.8(2) . 3_566 ?
Cs4 W5 Cs2 69.36(16) 4_575 3_566 ?
Cs3 W5 Cs2 78.02(17) 4_575 3_566 ?
O6B W6 O6A 102.5(6) . . ?
O6B W6 O26 101.3(5) . . ?
O6A W6 O26 93.7(5) . . ?
O6B W6 O46 95.4(5) . . ?
O6A W6 O46 96.6(5) . . ?
O26 W6 O46 158.0(4) . . ?
O6B W6 O146 161.1(5) . . ?
O6A W6 O146 93.6(5) . . ?
O26 W6 O146 87.3(4) . . ?
O46 W6 O146 72.7(4) . . ?
O6B W6 O2A1 86.4(5) . . ?
O6A W6 O2A1 171.1(5) . . ?
O26 W6 O2A1 84.8(4) . . ?
O46 W6 O2A1 82.0(4) . . ?
O146 W6 O2A1 77.6(4) . . ?
O6B W6 Cs3 90.3(5) . . ?
O6A W6 Cs3 49.1(5) . . ?
O26 W6 Cs3 142.8(3) . . ?
O46 W6 Cs3 50.2(3) . . ?
O146 W6 Cs3 92.9(3) . . ?
O2A1 W6 Cs3 131.5(3) . . ?
O7A W7 O7B 102.5(5) . . ?
O7A W7 O37 94.9(4) . . ?
O7B W7 O37 100.7(4) . . ?
O7A W7 O57 95.2(4) . . ?
O7B W7 O57 94.4(4) . . ?
O37 W7 O57 159.6(4) . . ?
O7A W7 O157 93.1(4) . . ?
O7B W7 O157 161.1(4) . . ?
O37 W7 O157 88.4(4) . . ?
O57 W7 O157 73.3(3) . . ?
O7A W7 O3A1 171.3(4) . . ?
O7B W7 O3A1 86.2(4) . . ?
O37 W7 O3A1 84.5(4) . . ?
O57 W7 O3A1 82.9(4) . . ?
O157 W7 O3A1 78.2(3) . . ?
O7A W7 Cs1 40.8(3) . 3_666 ?
O7B W7 Cs1 101.1(3) . 3_666 ?
O37 W7 Cs1 54.7(3) . 3_666 ?
O57 W7 Cs1 135.4(3) . 3_666 ?
O157 W7 Cs1 97.7(2) . 3_666 ?
O3A1 W7 Cs1 139.1(3) . 3_666 ?
O1AR As O3A1 110.6(5) . . ?
O1AR As O2A1 111.6(5) . . ?
O3A1 As O2A1 108.7(5) . . ?
O1AR As O1A1 110.2(4) . . ?
O3A1 As O1A1 108.1(5) . . ?
O2A1 As O1A1 107.5(4) . . ?
O2RU Ru O3RU 87.0(4) . . ?
O2RU Ru O1AR 90.5(4) . . ?
O3RU Ru O1AR 88.5(4) . . ?
O2RU Ru S3 89.4(3) . . ?
O3RU Ru S3 173.6(3) . . ?
O1AR Ru S3 86.2(3) . . ?
O2RU Ru S2 177.7(3) . . ?
O3RU Ru S2 91.0(3) . . ?
O1AR Ru S2 90.6(3) . . ?
S3 Ru S2 92.71(15) . . ?
O2RU Ru S1 86.9(3) . . ?
O3RU Ru S1 91.5(3) . . ?
O1AR Ru S1 177.5(3) . . ?
S3 Ru S1 93.55(15) . . ?
S2 Ru S1 91.95(13) . . ?
O1S1 S1 C2S1 106.9(8) . . ?
O1S1 S1 C1S1 107.8(9) . . ?
C2S1 S1 C1S1 102.0(10) . . ?
O1S1 S1 Ru 118.1(5) . . ?
C2S1 S1 Ru 110.0(6) . . ?
C1S1 S1 Ru 110.7(7) . . ?
O1S2 S2 C1S2 106.9(7) . . ?
O1S2 S2 C2S2 106.2(7) . . ?
C1S2 S2 C2S2 100.2(8) . . ?
O1S2 S2 Ru 119.6(5) . . ?
C1S2 S2 Ru 110.0(6) . . ?
C2S2 S2 Ru 112.1(6) . . ?
O1S2 S2 Cs1 30.0(4) . . ?
C1S2 S2 Cs1 91.6(6) . . ?
C2S2 S2 Cs1 84.1(6) . . ?
Ru S2 Cs1 149.11(15) . . ?
O1S3 S3 C1S3 108.5(9) . . ?
O1S3 S3 C2S3 106.8(9) . . ?
C1S3 S3 C2S3 97.0(10) . . ?
O1S3 S3 Ru 117.3(5) . . ?
C1S3 S3 Ru 111.5(7) . . ?
C2S3 S3 Ru 113.7(7) . . ?
O1S2 Cs1 O1T 136.8(3) . 1_655 ?
O1S2 Cs1 O6W 111.5(3) . . ?
O1T Cs1 O6W 102.4(3) 1_655 . ?
O1S2 Cs1 O8W 143.9(3) . . ?
O1T Cs1 O8W 75.7(3) 1_655 . ?
O6W Cs1 O8W 63.0(3) . . ?
O1S2 Cs1 O3T 88.2(3) . 3_666 ?
O1T Cs1 O3T 72.8(3) 1_655 3_666 ?
O6W Cs1 O3T 151.3(3) . 3_666 ?
O8W Cs1 O3T 88.7(3) . 3_666 ?
O1S2 Cs1 O7A 86.5(3) . 3_666 ?
O1T Cs1 O7A 131.9(3) 1_655 3_666 ?
O6W Cs1 O7A 68.5(3) . 3_666 ?
O8W Cs1 O7A 57.8(3) . 3_666 ?
O3T Cs1 O7A 93.3(3) 3_666 3_666 ?
O1S2 Cs1 O37 76.7(3) . 3_666 ?
O1T Cs1 O37 113.3(3) 1_655 3_666 ?
O6W Cs1 O37 114.0(3) . 3_666 ?
O8W Cs1 O37 74.4(3) . 3_666 ?
O3T Cs1 O37 48.6(2) 3_666 3_666 ?
O7A Cs1 O37 46.2(2) 3_666 3_666 ?
O1S2 Cs1 O12 147.5(3) . 1_655 ?
O1T Cs1 O12 47.2(2) 1_655 1_655 ?
O6W Cs1 O12 55.6(3) . 1_655 ?
O8W Cs1 O12 62.1(3) . 1_655 ?
O3T Cs1 O12 116.7(2) 3_666 1_655 ?
O7A Cs1 O12 110.8(2) 3_666 1_655 ?
O37 Cs1 O12 135.1(2) 3_666 1_655 ?
O1S2 Cs1 Na2 116.3(2) . 2_646 ?
O1T Cs1 Na2 106.9(2) 1_655 2_646 ?
O6W Cs1 Na2 38.4(3) . 2_646 ?
O8W Cs1 Na2 36.0(2) . 2_646 ?
O3T Cs1 Na2 114.7(2) 3_666 2_646 ?
O7A Cs1 Na2 37.5(2) 3_666 2_646 ?
O37 Cs1 Na2 77.90(17) 3_666 2_646 ?
O12 Cs1 Na2 73.65(16) 1_655 2_646 ?
O1S2 Cs1 Na1 36.4(2) . . ?
O1T Cs1 Na1 152.7(2) 1_655 . ?
O6W Cs1 Na1 75.1(3) . . ?
O8W Cs1 Na1 123.7(3) . . ?
O3T Cs1 Na1 122.1(2) 3_666 . ?
O7A Cs1 Na1 73.3(2) 3_666 . ?
O37 Cs1 Na1 91.83(19) 3_666 . ?
O12 Cs1 Na1 120.69(18) 1_655 . ?
Na2 Cs1 Na1 88.11(13) 2_646 . ?
O1S2 Cs1 W3 89.7(2) . 3_666 ?
O1T Cs1 W3 87.0(2) 1_655 3_666 ?
O6W Cs1 W3 131.8(3) . 3_666 ?
O8W Cs1 W3 74.4(2) . 3_666 ?
O3T Cs1 W3 23.10(19) 3_666 3_666 ?
O7A Cs1 W3 70.40(18) 3_666 3_666 ?
O37 Cs1 W3 27.70(14) 3_666 3_666 ?
O12 Cs1 W3 121.56(15) 1_655 3_666 ?
Na2 Cs1 W3 93.51(10) 2_646 3_666 ?
Na1 Cs1 W3 115.36(11) . 3_666 ?
O1S2 Cs1 S2 14.9(2) . . ?
O1T Cs1 S2 129.0(2) 1_655 . ?
O6W Cs1 S2 125.0(3) . . ?
O8W Cs1 S2 139.6(3) . . ?
O3T Cs1 S2 73.3(2) 3_666 . ?
O7A Cs1 S2 86.80(19) 3_666 . ?
O37 Cs1 S2 66.50(17) 3_666 . ?
O12 Cs1 S2 158.12(17) 1_655 . ?
Na2 Cs1 S2 121.53(12) 2_646 . ?
Na1 Cs1 S2 50.45(11) . . ?
W3 Cs1 S2 75.76(7) 3_666 . ?
O1T Cs2 O7W 114.7(4) 3_566 . ?
O1T Cs2 O3T 77.9(3) 3_566 . ?
O7W Cs2 O3T 76.3(3) . . ?
O1T Cs2 O5A 83.6(3) 3_566 3_566 ?
O7W Cs2 O5A 67.0(4) . 3_566 ?
O3T Cs2 O5A 126.6(3) . 3_566 ?
O1T Cs2 O45A 62.9(3) 3_566 3_566 ?
O7W Cs2 O45A 120.6(3) . 3_566 ?
O3T Cs2 O45A 140.7(3) . 3_566 ?
O5A Cs2 O45A 53.7(3) 3_566 3_566 ?
O1T Cs2 Na2 85.4(2) 3_566 2_546 ?
O7W Cs2 Na2 37.2(3) . 2_546 ?
O3T Cs2 Na2 91.2(2) . 2_546 ?
O5A Cs2 Na2 37.3(2) 3_566 2_546 ?
O45A Cs2 Na2 87.6(2) 3_566 2_546 ?
O1T Cs2 W5 71.1(2) 3_566 3_566 ?
O7W Cs2 W5 91.7(3) . 3_566 ?
O3T Cs2 W5 138.1(2) . 3_566 ?
O5A Cs2 W5 24.7(2) 3_566 3_566 ?
O45A Cs2 W5 29.03(17) 3_566 3_566 ?
Na2 Cs2 W5 59.50(9) 2_546 3_566 ?
O1T Cs2 W1 16.4(2) 3_566 3_566 ?
O7W Cs2 W1 109.4(3) . 3_566 ?
O3T Cs2 W1 91.1(2) . 3_566 ?
O5A Cs2 W1 67.7(2) 3_566 3_566 ?
O45A Cs2 W1 50.75(17) 3_566 3_566 ?
Na2 Cs2 W1 75.25(10) 2_546 3_566 ?
W5 Cs2 W1 54.89(3) 3_566 3_566 ?
O1T Cs2 Cs4 124.6(3) 3_566 2_546 ?
O7W Cs2 Cs4 65.6(3) . 2_546 ?
O3T Cs2 Cs4 141.1(3) . 2_546 ?
O5A Cs2 Cs4 43.5(2) 3_566 2_546 ?
O45A Cs2 Cs4 70.9(2) 3_566 2_546 ?
Na2 Cs2 Cs4 63.25(15) 2_546 2_546 ?
W5 Cs2 Cs4 53.94(13) 3_566 2_546 ?
W1 Cs2 Cs4 108.28(13) 3_566 2_546 ?
O1T Cs2 W3 82.6(2) 3_566 . ?
O7W Cs2 W3 62.6(3) . . ?
O3T Cs2 W3 14.0(2) . . ?
O5A Cs2 W3 114.9(2) 3_566 . ?
O45A Cs2 W3 143.67(18) 3_566 . ?
Na2 Cs2 W3 78.34(10) 2_546 . ?
W5 Cs2 W3 130.99(7) 3_566 . ?
W1 Cs2 W3 93.08(5) 3_566 . ?
Cs4 Cs2 W3 128.00(14) 2_546 . ?
O1T Cs2 Cs1 40.8(2) 3_566 3_666 ?
O7W Cs2 Cs1 113.2(3) . 3_666 ?
O3T Cs2 Cs1 44.1(2) . 3_666 ?
O5A Cs2 Cs1 121.3(2) 3_566 3_666 ?
O45A Cs2 Cs1 98.87(18) 3_566 3_666 ?
Na2 Cs2 Cs1 105.99(11) 2_546 3_666 ?
W5 Cs2 Cs1 111.82(6) 3_566 3_666 ?
W1 Cs2 Cs1 57.01(4) 3_566 3_666 ?
Cs4 Cs2 Cs1 164.73(14) 2_546 3_666 ?
W3 Cs2 Cs1 54.74(5) . 3_666 ?
O1T Cs2 Cs3 121.8(3) 3_566 2_546 ?
O7W Cs2 Cs3 67.4(3) . 2_546 ?
O3T Cs2 Cs3 143.3(2) . 2_546 ?
O5A Cs2 Cs3 41.3(2) 3_566 2_546 ?
O45A Cs2 Cs3 67.9(2) 3_566 2_546 ?
Na2 Cs2 Cs3 62.94(15) 2_546 2_546 ?
W5 Cs2 Cs3 50.95(12) 3_566 2_546 ?
W1 Cs2 Cs3 105.41(13) 3_566 2_546 ?
Cs4 Cs2 Cs3 3.07(19) 2_546 2_546 ?
W3 Cs2 Cs3 129.96(14) . 2_546 ?
Cs1 Cs2 Cs3 162.16(14) 3_666 2_546 ?
Cs4 Cs3 O2W 115.9(17) . . ?
Cs4 Cs3 O5B 93.7(15) . 4_576 ?
O2W Cs3 O5B 137.3(8) . 4_576 ?
Cs4 Cs3 O4A 88.1(15) . . ?
O2W Cs3 O4A 75.7(7) . . ?
O5B Cs3 O4A 138.7(5) 4_576 . ?
Cs4 Cs3 O2T 83.0(15) . 3_567 ?
O2W Cs3 O2T 69.4(7) . 3_567 ?
O5B Cs3 O2T 85.7(4) 4_576 3_567 ?
O4A Cs3 O2T 135.3(5) . 3_567 ?
Cs4 Cs3 O5A 54.1(14) . 4_576 ?
O2W Cs3 O5A 169.7(8) . 4_576 ?
O5B Cs3 O5A 51.1(3) 4_576 4_576 ?
O4A Cs3 O5A 100.4(4) . 4_576 ?
O2T Cs3 O5A 109.0(4) 3_567 4_576 ?
Cs4 Cs3 O6A 145.7(16) . . ?
O2W Cs3 O6A 52.5(7) . . ?
O5B Cs3 O6A 116.0(5) 4_576 . ?
O4A Cs3 O6A 58.5(4) . . ?
O2T Cs3 O6A 114.2(4) 3_567 . ?
O5A Cs3 O6A 133.6(4) 4_576 . ?
Cs4 Cs3 O46 118.7(15) . . ?
O2W Cs3 O46 98.3(7) . . ?
O5B Cs3 O46 92.8(4) 4_576 . ?
O4A Cs3 O46 51.7(3) . . ?
O2T Cs3 O46 158.2(5) 3_567 . ?
O5A Cs3 O46 86.3(3) 4_576 . ?
O6A Cs3 O46 47.6(3) . . ?
Cs4 Cs3 O4B 74.1(14) . . ?
O2W Cs3 O4B 121.7(8) . . ?
O5B Cs3 O4B 94.7(4) 4_576 . ?
O4A Cs3 O4B 46.3(3) . . ?
O2T Cs3 O4B 157.1(5) 3_567 . ?
O5A Cs3 O4B 56.1(3) 4_576 . ?
O6A Cs3 O4B 86.2(4) . . ?
O46 Cs3 O4B 44.7(3) . . ?
Cs4 Cs3 W4 93.0(15) . . ?
O2W Cs3 W4 97.1(7) . . ?
O5B Cs3 W4 112.1(4) 4_576 . ?
O4A Cs3 W4 26.7(2) . . ?
O2T Cs3 W4 162.0(4) 3_567 . ?
O5A Cs3 W4 82.1(3) 4_576 . ?
O6A Cs3 W4 61.1(3) . . ?
O46 Cs3 W4 30.47(19) . . ?
O4B Cs3 W4 26.41(19) . . ?
Cs4 Cs3 W5 73.7(15) . 4_576 ?
O2W Cs3 W5 161.3(8) . 4_576 ?
O5B Cs3 W5 24.7(2) 4_576 4_576 ?
O4A Cs3 W5 122.0(4) . 4_576 ?
O2T Cs3 W5 97.3(3) 3_567 4_576 ?
O5A Cs3 W5 26.4(2) 4_576 4_576 ?
O6A Cs3 W5 128.7(4) . 4_576 ?
O46 Cs3 W5 89.9(3) . 4_576 ?
O4B Cs3 W5 75.6(3) . 4_576 ?
W4 Cs3 W5 98.4(2) . 4_576 ?
Cs4 Cs3 W6 140.6(15) . . ?
O2W Cs3 W6 75.2(7) . . ?
O5B Cs3 W6 101.7(4) 4_576 . ?
O4A Cs3 W6 56.7(3) . . ?
O2T Cs3 W6 133.6(4) 3_567 . ?
O5A Cs3 W6 110.9(3) 4_576 . ?
O6A Cs3 W6 22.8(2) . . ?
O46 Cs3 W6 25.92(18) . . ?
O4B Cs3 W6 68.8(2) . . ?
W4 Cs3 W6 47.59(12) . . ?
W5 Cs3 W6 108.3(2) 4_576 . ?
Cs3 Cs4 O2W 48.8(14) . . ?
Cs3 Cs4 O4A 80.5(15) . . ?
O2W Cs4 O4A 71.1(6) . . ?
Cs3 Cs4 O5A 116.7(16) . 4_576 ?
O2W Cs4 O5A 165.3(7) . 4_576 ?
O4A Cs4 O5A 106.9(4) . 4_576 ?
Cs3 Cs4 O5B 75.0(15) . 4_576 ?
O2W Cs4 O5B 116.5(7) . 4_576 ?
O4A Cs4 O5B 132.3(5) . 4_576 ?
O5A Cs4 O5B 53.5(3) 4_576 4_576 ?
Cs3 Cs4 O2T 86.2(15) . 3_567 ?
O2W Cs4 O2T 67.4(6) . 3_567 ?
O4A Cs4 O2T 134.3(4) . 3_567 ?
O5A Cs4 O2T 118.0(4) 4_576 3_567 ?
O5B Cs4 O2T 84.4(4) 4_576 3_567 ?
Cs3 Cs4 O4B 96.8(15) . . ?
O2W Cs4 O4B 115.4(6) . . ?
O4A Cs4 O4B 47.6(3) . . ?
O5A Cs4 O4B 59.7(3) 4_576 . ?
O5B Cs4 O4B 95.4(4) 4_576 . ?
O2T Cs4 O4B 176.8(4) 3_567 . ?
Cs3 Cs4 O46 53.2(14) . . ?
O2W Cs4 O46 82.8(6) . . ?
O4A Cs4 O46 47.8(3) . . ?
O5A Cs4 O46 85.4(3) 4_576 . ?
O5B Cs4 O46 85.1(3) 4_576 . ?
O2T Cs4 O46 139.4(4) 3_567 . ?
O4B Cs4 O46 43.6(3) . . ?
Cs3 Cs4 W5 97.6(15) . 4_576 ?
O2W Cs4 W5 143.0(7) . 4_576 ?
O4A Cs4 W5 124.8(4) . 4_576 ?
O5A Cs4 W5 26.9(2) 4_576 4_576 ?
O5B Cs4 W5 26.8(2) 4_576 4_576 ?
O2T Cs4 W5 100.1(3) 3_567 4_576 ?
O4B Cs4 W5 78.6(3) . 4_576 ?
O46 Cs4 W5 87.2(2) . 4_576 ?
Cs3 Cs4 W4 78.1(14) . . ?
O2W Cs4 W4 89.1(6) . . ?
O4A Cs4 W4 25.9(2) . . ?
O5A Cs4 W4 84.9(3) 4_576 . ?
O5B Cs4 W4 107.9(3) 4_576 . ?
O2T Cs4 W4 156.4(4) 3_567 . ?
O4B Cs4 W4 26.35(19) . . ?
O46 Cs4 W4 29.28(17) . . ?
W5 Cs4 W4 99.3(2) 4_576 . ?
Cs3 Cs4 Na2 120.1(15) . . ?
O2W Cs4 Na2 147.6(6) . . ?
O4A Cs4 Na2 77.1(3) . . ?
O5A Cs4 Na2 31.1(2) 4_576 . ?
O5B Cs4 Na2 80.8(3) 4_576 . ?
O2T Cs4 Na2 144.6(4) 3_567 . ?
O4B Cs4 Na2 32.5(2) . . ?
O46 Cs4 Na2 71.1(2) . . ?
W5 Cs4 Na2 56.25(14) 4_576 . ?
W4 Cs4 Na2 58.80(14) . . ?
Cs3 Cs4 Cs2 153.8(16) . 2_556 ?
O2W Cs4 Cs2 152.1(6) . 2_556 ?
O4A Cs4 Cs2 117.2(4) . 2_556 ?
O5A Cs4 Cs2 42.1(2) 4_576 2_556 ?
O5B Cs4 Cs2 78.8(3) 4_576 2_556 ?
O2T Cs4 Cs2 92.8(3) 3_567 2_556 ?
O4B Cs4 Cs2 84.0(3) . 2_556 ?
O46 Cs4 Cs2 123.2(3) . 2_556 ?
W5 Cs4 Cs2 56.70(13) 4_576 2_556 ?
W4 Cs4 Cs2 109.0(2) . 2_556 ?
Na2 Cs4 Cs2 52.82(14) . 2_556 ?
O9W Cs5 C2S3 56.8(6) . 3_667 ?
O9W Cs5 Na3 56.1(5) . 4_566 ?
C2S3 Cs5 Na3 112.3(6) 3_667 4_566 ?
O9W Cs5 Na4 25.0(4) . . ?
C2S3 Cs5 Na4 78.7(5) 3_667 . ?
Na3 Cs5 Na4 39.8(3) 4_566 . ?
O9W Cs5 Cs2 155.0(7) . 1_556 ?
C2S3 Cs5 Cs2 101.3(5) 3_667 1_556 ?
Na3 Cs5 Cs2 140.1(5) 4_566 1_556 ?
Na4 Cs5 Cs2 179.8(5) . 1_556 ?
O4W Na1 O3W 89.6(5) . . ?
O4W Na1 O1W 99.7(7) . . ?
O3W Na1 O1W 91.0(7) . . ?
O4W Na1 O1S3 164.5(5) . . ?
O3W Na1 O1S3 77.5(5) . . ?
O1W Na1 O1S3 89.3(6) . . ?
O4W Na1 O1S1 86.3(4) . . ?
O3W Na1 O1S1 88.7(5) . . ?
O1W Na1 O1S1 173.9(7) . . ?
O1S3 Na1 O1S1 84.7(4) . . ?
O4W Na1 O1S2 104.0(5) . . ?
O3W Na1 O1S2 162.8(5) . . ?
O1W Na1 O1S2 96.9(6) . . ?
O1S3 Na1 O1S2 87.3(4) . . ?
O1S1 Na1 O1S2 81.9(4) . . ?
O4W Na1 Na4 131.5(4) . . ?
O3W Na1 Na4 46.5(4) . . ?
O1W Na1 Na4 67.5(6) . . ?
O1S3 Na1 Na4 41.4(4) . . ?
O1S1 Na1 Na4 108.2(4) . . ?
O1S2 Na1 Na4 123.5(4) . . ?
O4W Na1 Na3 43.7(3) . . ?
O3W Na1 Na3 84.4(4) . . ?
O1W Na1 Na3 143.0(6) . . ?
O1S3 Na1 Na3 125.0(4) . . ?
O1S1 Na1 Na3 43.0(3) . . ?
O1S2 Na1 Na3 98.1(4) . . ?
Na4 Na1 Na3 127.6(3) . . ?
O4W Na1 Cs1 74.2(3) . . ?
O3W Na1 Cs1 150.6(4) . . ?
O1W Na1 Cs1 68.5(6) . . ?
O1S3 Na1 Cs1 121.2(3) . . ?
O1S1 Na1 Cs1 113.9(3) . . ?
O1S2 Na1 Cs1 46.0(3) . . ?
Na4 Na1 Cs1 132.1(3) . . ?
Na3 Na1 Cs1 99.2(2) . . ?
O8W Na2 O4B 168.9(5) 2_656 . ?
O8W Na2 O7W 88.3(5) 2_656 2_556 ?
O4B Na2 O7W 92.3(5) . 2_556 ?
O8W Na2 O5A 100.1(4) 2_656 4_576 ?
O4B Na2 O5A 91.0(4) . 4_576 ?
O7W Na2 O5A 87.4(5) 2_556 4_576 ?
O8W Na2 O7A 80.7(4) 2_656 4_576 ?
O4B Na2 O7A 100.9(4) . 4_576 ?
O7W Na2 O7A 163.8(5) 2_556 4_576 ?
O5A Na2 O7A 82.9(4) 4_576 4_576 ?
O8W Na2 O6W 83.9(5) 2_656 2_656 ?
O4B Na2 O6W 85.1(4) . 2_656 ?
O7W Na2 O6W 97.1(5) 2_556 2_656 ?
O5A Na2 O6W 174.1(5) 4_576 2_656 ?
O7A Na2 O6W 93.5(4) 4_576 2_656 ?
O8W Na2 Cs2 70.6(3) 2_656 2_556 ?
O4B Na2 Cs2 117.7(3) . 2_556 ?
O7W Na2 Cs2 49.4(4) 2_556 2_556 ?
O5A Na2 Cs2 49.1(3) 4_576 2_556 ?
O7A Na2 Cs2 115.1(3) 4_576 2_556 ?
O6W Na2 Cs2 136.7(4) 2_656 2_556 ?
O8W Na2 Cs1 51.2(3) 2_656 2_656 ?
O4B Na2 Cs1 120.8(4) . 2_656 ?
O7W Na2 Cs1 125.0(4) 2_556 2_656 ?
O5A Na2 Cs1 129.6(3) 4_576 2_656 ?
O7A Na2 Cs1 55.2(3) 4_576 2_656 ?
O6W Na2 Cs1 50.1(3) 2_656 2_656 ?
Cs2 Na2 Cs1 121.43(15) 2_556 2_656 ?
O8W Na2 Cs4 133.6(4) 2_656 . ?
O4B Na2 Cs4 56.3(3) . . ?
O7W Na2 Cs4 69.2(4) 2_556 . ?
O5A Na2 Cs4 41.5(3) 4_576 . ?
O7A Na2 Cs4 110.4(3) 4_576 . ?
O6W Na2 Cs4 137.1(4) 2_656 . ?
Cs2 Na2 Cs4 63.93(16) 2_556 . ?
Cs1 Na2 Cs4 165.5(2) 2_656 . ?
O8W Na2 Cs3 138.1(4) 2_656 . ?
O4B Na2 Cs3 52.3(3) . . ?
O7W Na2 Cs3 75.1(4) 2_556 . ?
O5A Na2 Cs3 42.2(3) 4_576 . ?
O7A Na2 Cs3 105.5(3) 4_576 . ?
O6W Na2 Cs3 135.5(4) 2_656 . ?
Cs2 Na2 Cs3 69.42(16) 2_556 . ?
Cs1 Na2 Cs3 159.9(2) 2_656 . ?
Cs4 Na2 Cs3 6.32(16) . . ?
O5W Na3 O1S1 166.3(6) . . ?
O5W Na3 O10W 90.3(7) . . ?
O1S1 Na3 O10W 102.6(7) . . ?
O5W Na3 O4W 82.9(5) . . ?
O1S1 Na3 O4W 83.6(5) . . ?
O10W Na3 O4W 169.6(8) . . ?
O5W Na3 O7B 82.1(5) . 3_666 ?
O1S1 Na3 O7B 95.3(4) . 3_666 ?
O10W Na3 O7B 80.3(7) . 3_666 ?
O4W Na3 O7B 90.8(4) . 3_666 ?
O5W Na3 Na4 44.4(4) . 4_565 ?
O1S1 Na3 Na4 149.3(5) . 4_565 ?
O10W Na3 Na4 48.1(6) . 4_565 ?
O4W Na3 Na4 126.8(5) . 4_565 ?
O7B Na3 Na4 88.9(4) 3_666 4_565 ?
O5W Na3 Na1 123.3(5) . . ?
O1S1 Na3 Na1 43.5(3) . . ?
O10W Na3 Na1 146.1(7) . . ?
O4W Na3 Na1 40.4(3) . . ?
O7B Na3 Na1 98.2(4) 3_666 . ?
Na4 Na3 Na1 165.0(4) 4_565 . ?
O5W Na3 Cs5 113.2(5) . 4_565 ?
O1S1 Na3 Cs5 77.8(4) . 4_565 ?
O10W Na3 Cs5 61.0(7) . 4_565 ?
O4W Na3 Cs5 129.0(5) . 4_565 ?
O7B Na3 Cs5 137.5(5) 3_666 4_565 ?
Na4 Na3 Cs5 78.7(4) 4_565 4_565 ?
Na1 Na3 Cs5 104.1(4) . 4_565 ?
O1S3 Na4 O5W 153.5(7) . 4_566 ?
O1S3 Na4 O9W 95.8(7) . . ?
O5W Na4 O9W 99.7(8) 4_566 . ?
O1S3 Na4 O10W 109.8(8) . 4_566 ?
O5W Na4 O10W 91.5(8) 4_566 4_566 ?
O9W Na4 O10W 90.7(9) . 4_566 ?
O1S3 Na4 O3W 77.5(6) . . ?
O5W Na4 O3W 88.7(6) 4_566 . ?
O9W Na4 O3W 171.2(8) . . ?
O10W Na4 O3W 86.4(7) 4_566 . ?
O1S3 Na4 Na3 156.7(6) . 4_566 ?
O5W Na4 Na3 46.9(4) 4_566 4_566 ?
O9W Na4 Na3 85.9(6) . 4_566 ?
O10W Na4 Na3 46.9(6) 4_566 4_566 ?
O3W Na4 Na3 98.1(5) . 4_566 ?
O1S3 Na4 Na1 45.1(4) . . ?
O5W Na4 Na1 110.5(5) 4_566 . ?
O9W Na4 Na1 134.2(7) . . ?
O10W Na4 Na1 121.0(7) 4_566 . ?
O3W Na4 Na1 42.8(4) . . ?
Na3 Na4 Na1 139.7(4) 4_566 . ?
O1S3 Na4 Cs5 105.7(5) . . ?
O5W Na4 Cs5 100.0(5) 4_566 . ?
O9W Na4 Cs5 40.3(6) . . ?
O10W Na4 Cs5 50.5(6) 4_566 . ?
O3W Na4 Cs5 135.9(6) . . ?
Na3 Na4 Cs5 61.5(3) 4_566 . ?
Na1 Na4 Cs5 149.0(4) . . ?
S3 C2S3 Cs5 145.0(10) . 3_667 ?
W7 O7A Na2 139.9(5) . 4_575 ?
W7 O7A Cs1 118.5(4) . 3_666 ?
Na2 O7A Cs1 87.4(3) 4_575 3_666 ?
W3 O37 W7 149.9(6) . . ?
W3 O37 Cs1 91.0(3) . 3_666 ?
W7 O37 Cs1 99.6(4) . 3_666 ?
W5 O57 W7 116.1(4) . . ?
W4 O46 W6 117.3(5) . . ?
W4 O46 Cs3 85.3(4) . . ?
W6 O46 Cs3 103.9(4) . . ?
W4 O46 Cs4 78.8(4) . . ?
W6 O46 Cs4 111.0(4) . . ?
Cs3 O46 Cs4 8.1(2) . . ?
W6 O6A Cs3 108.1(6) . . ?
As O2A1 W6 128.4(6) . . ?
W2 O2T Cs4 144.2(6) . 3_567 ?
W2 O2T Cs3 137.1(6) . 3_567 ?
Cs4 O2T Cs3 10.8(2) 3_567 3_567 ?
W4 O4B Na2 173.9(7) . . ?
W4 O4B Cs4 83.9(4) . . ?
Na2 O4B Cs4 91.2(4) . . ?
W4 O4B Cs3 77.5(4) . . ?
Na2 O4B Cs3 98.0(4) . . ?
Cs4 O4B Cs3 9.10(17) . . ?
W7 O7B Na3 128.0(5) . 3_666 ?
W1 O13 W3 120.3(5) . . ?
W5 O5A Na2 140.6(6) . 4_575 ?
W5 O5A Cs2 110.4(5) . 3_566 ?
Na2 O5A Cs2 93.6(4) 4_575 3_566 ?
W5 O5A Cs4 101.6(4) . 4_575 ?
Na2 O5A Cs4 107.3(4) 4_575 4_575 ?
Cs2 O5A Cs4 94.4(4) 3_566 4_575 ?
W5 O5A Cs3 95.4(4) . 4_575 ?
Na2 O5A Cs3 109.4(4) 4_575 4_575 ?
Cs2 O5A Cs3 103.0(4) 3_566 4_575 ?
Cs4 O5A Cs3 9.2(2) 4_575 4_575 ?
W3 O3T Cs2 141.7(5) . . ?
W3 O3T Cs1 111.7(4) . 3_666 ?
Cs2 O3T Cs1 95.0(3) . 3_666 ?
W3 O3RU Ru 140.1(5) . . ?
S1 O1S1 Na3 144.7(7) . . ?
S1 O1S1 Na1 121.6(6) . . ?
Na3 O1S1 Na1 93.5(5) . . ?
S3 O1S3 Na4 141.6(8) . . ?
S3 O1S3 Na1 121.9(7) . . ?
Na4 O1S3 Na1 93.4(5) . . ?
S2 O1S2 Na1 123.5(7) . . ?
S2 O1S2 Cs1 135.1(6) . . ?
Na1 O1S2 Cs1 97.6(4) . . ?
W2 O2RU Ru 142.9(6) . . ?
W3 O23 W2 117.2(5) . . ?
W1 O12 W2 120.1(5) . . ?
W1 O12 Cs1 88.5(3) . 1_455 ?
W2 O12 Cs1 145.8(4) . 1_455 ?
W1 O1T Cs2 136.3(5) . 3_566 ?
W1 O1T Cs1 122.2(4) . 1_455 ?
Cs2 O1T Cs1 101.1(3) 3_566 1_455 ?
W5 O5B Cs3 110.2(5) . 4_575 ?
W5 O5B Cs4 100.9(5) . 4_575 ?
Cs3 O5B Cs4 11.3(2) 4_575 4_575 ?
As O3A1 W7 128.1(6) . . ?
W4 O4A Cs3 103.0(5) . . ?
W4 O4A Cs4 104.9(5) . . ?
Cs3 O4A Cs4 11.4(2) . . ?
W1 O146 W6 138.0(5) . . ?
W1 O146 W4 127.8(5) . . ?
W6 O146 W4 94.2(3) . . ?
W1 O157 W7 137.5(4) . . ?
W1 O157 W5 128.0(4) . . ?
W7 O157 W5 94.5(3) . . ?
W5 O45A W4 115.2(5) . . ?
W5 O45A Cs2 99.7(4) . 3_566 ?
W4 O45A Cs2 143.3(4) . 3_566 ?
As O1A1 W2 124.4(4) . . ?
As O1A1 W3 122.6(4) . . ?
W2 O1A1 W3 92.2(3) . . ?
As O1A1 W1 122.0(4) . . ?
W2 O1A1 W1 93.0(3) . . ?
W3 O1A1 W1 94.4(3) . . ?
W6 O26 W2 150.1(6) . . ?
W5 O45B W4 96.9(4) . . ?
As O1AR Ru 123.8(5) . . ?
Cs3 O2W Cs4 15.4(4) . . ?
Na1 O3W Na4 90.7(5) . . ?
Na1 O4W Na3 95.8(5) . . ?
Na4 O5W Na3 88.7(6) 4_565 . ?
Na2 O6W Cs1 91.5(4) 2_646 . ?
Na2 O7W Cs2 93.4(5) 2_546 . ?
Na2 O8W Cs1 92.8(4) 2_646 . ?
Na4 O9W Cs5 114.8(8) . . ?
Na3 O10W Na4 84.9(9) . 4_565 ?