# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_dy_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2019292'
loop_
_audit_author_name
_audit_author_address
'Natalya Izarova'
;Institute of Inorganic Chemistry, RWTH Aachen University
Germany
;
_audit_update_record             
;
2020-11-02 deposited with the CCDC.	2020-11-04 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT201_dy_a_sq             
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         87 Report
RESPONSE: Only heavy atoms (W, Dy, P, Cs and K) were refined anisotropically
which is a common practice in polyoxotungstates crystallography.
;
_vrf_PLAT973_dy_a_sq             
;
PROBLEM: Check Calcd Positive Resid. Density on        W3       4.09 eA-3  
RESPONSE: The hole in the electron density can be attributed to inaccuracies 
in absorption correction. Nevertheless, chemical sense does not allow to 
place any other element in this position.
;
_vrf_PLAT306_dy_a_sq             
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O2W Check 
RESPONSE: Hydrogen atoms of the co-crystallized solvent molecules were not
located.
;
_vrf_PLAT342_dy_a_sq             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.03167 Ang.  
RESPONSE: The issue with the low C-C bond precision most likely arises 
from the rotational disorder in the phenyl rings. 
;
_vrf_PLAT430_dy_a_sq             
;
PROBLEM: Short Inter D...A Contact  O2W      ..O21D     .       2.76 Ang.  
RESPONSE: This relatively short distance between O atoms indicates formation 
of a hydrogen bond either between two water molecules or between a water molecule
and a terminal O atom of the polyanion (O9T, O14T). We refrained from locating 
positions of H atoms for water molecules as it could not be trustworthy done
in the presence of heavy elements, such as W and Cs.
;
_vrf_PLAT910_dy_a_sq             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note  
RESPONSE: Missing reflections are in diffractometer restricted areas
like beamstop. Nevertheless, the total amount of collected reflections 
well exceeds that required for statistically relevant refinement to assure 
true results.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H132 Cs7.50 Dy4 K0.50 O180 P8 W32'
_chemical_formula_weight         11098.62

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'
K K 0.2009 0.2494 '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'
Dy Dy -0.1892 4.4098 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.757(3)
_cell_length_b                   14.616(3)
_cell_length_c                   24.915(5)
_cell_angle_alpha                73.84(3)
_cell_angle_beta                 86.54(3)
_cell_angle_gamma                79.70(3)
_cell_volume                     4389.8(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7429
_cell_measurement_theta_min      1.72
_cell_measurement_theta_max      24.95

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    4.198
_exptl_crystal_F_000             4890
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    24.287
_shelx_estimated_absorpt_T_min   0.219
_shelx_estimated_absorpt_T_max   0.529
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.1377
_exptl_absorpt_correction_T_max  0.5079
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration.
Afterwards scaling of reflection intensities was performed 
within STOE LANA.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix Mo'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            89602
_diffrn_reflns_av_unetI/netI     0.1099
_diffrn_reflns_av_R_equivalents  0.1472
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.330
_diffrn_reflns_theta_max         25.350
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             16066
_reflns_number_gt                9318
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
 
  All heavy atoms (W, Dy, Cs and K) were refined in full-
matrix anisotropic approximation. ISOR restrictions had to be 
applied for some disordered Cs and K positions. 

 Hydrogen atoms of water molecules were not located. Hydrogen atoms
of the phenyl rings were placed in geometrically calculated positions.  

 One of the two phenyl rings in the asymmetric unit (half of the 
molecule) exhibits rotational disorder. One of the possible positions 
for this phenyl ring has been located with s. o. f. of about 0.68, 
while the other orientations could not be found from the electron 
density map. 

 The relative s. o. f. for the disordered positions of O atoms of water 
molecules (from the co-crystallized solvent and those coordinated to Dy2), 
cesium and potassium counterions were first refined in an isotropic approximation 
with Uiso = 0.05 and then fixed at the obtained values and refined without 
restrictions of the thermal parameters. Some disordered Cs+ countercations 
were refined using a combination of PART and EADP commands.

 Due to severe disorder we were not able to locate part of solvent H2O 
molecules, which is a typical problem in the polyoxotungstate crystallography. 
After we assign all electron density peaks we could we a SQUEEZE procedure 
was applied to to treat diffused electron density in the voids.

The final formula used in the cif file and in the manusctript was
that determined by a combination of single crystal X-Ray (polyanion
part), elemental and thermogravimetrical (exact number of cations 
and solvent molecules) analyses. 

The relatively high residual electron density peaks in the structure 
(4.7 -- 5.4 eÅ--3) are located in the proximity of the W centers and 
should correspond to some residual absorption artefacts. 

Rather high Rint factor (0.14) reflects possible twinning issues (as 
the crystals are thin plates).

Final results were tested with CHECKCIF routine and all A and B-warnings 
were addressed on the very top of this file.
;

_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.131.0 (STOE, 2017)
;
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_reduction        
;
X-Area Integrate 1.71.0.0 (STOE, 2016)
X-Area X-Red32 1.63.2.0 (STOE, 2017) 
;
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond Version 3.2k'
_computing_publication_material  'Diamond Version 3.2k'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1508P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16066
_refine_ls_number_parameters     634
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.1357
_refine_ls_R_factor_gt           0.0870
_refine_ls_wR_factor_ref         0.2469
_refine_ls_wR_factor_gt          0.2206
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.39514(14) -0.30094(9) 1.52886(5) 0.0310(4) Uani 1 1 d . . . . .
Dy2 Dy 0.66130(17) -0.57597(11) 1.08697(6) 0.0475(5) Uani 1 1 d . . . . .
W1 W 0.10430(12) -0.23955(9) 1.48609(5) 0.0327(3) Uani 1 1 d . . . . .
W2 W 0.24633(12) -0.06282(8) 1.43955(5) 0.0326(3) Uani 1 1 d . . . . .
W3 W 0.37447(12) -0.46631(8) 1.42630(5) 0.0278(3) Uani 1 1 d . . . . .
W4 W 0.11075(12) -0.42353(8) 1.40706(5) 0.0312(3) Uani 1 1 d . . . . .
W5 W -0.02215(12) -0.17840(9) 1.34508(5) 0.0330(3) Uani 1 1 d . . . . .
W6 W 0.12145(12) -0.00306(8) 1.29785(5) 0.0312(3) Uani 1 1 d . . . . .
W7 W 0.40978(12) -0.05447(8) 1.30908(5) 0.0301(3) Uani 1 1 d . . . . .
W8 W 0.52952(12) -0.27684(8) 1.37715(5) 0.0285(3) Uani 1 1 d . . . . .
W9 W 0.40557(12) -0.52715(8) 1.28345(5) 0.0298(3) Uani 1 1 d . . . . .
W10 W 0.14258(12) -0.48300(8) 1.26881(5) 0.0318(3) Uani 1 1 d . . . . .
W11 W 0.00751(13) -0.23268(9) 1.20455(5) 0.0343(3) Uani 1 1 d . . . . .
W12 W 0.14985(12) -0.05598(8) 1.15734(5) 0.0327(3) Uani 1 1 d . . . . .
W13 W 0.44282(12) -0.10615(8) 1.16890(5) 0.0307(3) Uani 1 1 d . . . . .
W14 W 0.56404(12) -0.32860(8) 1.23227(5) 0.0297(3) Uani 1 1 d . . . . .
W15 W 0.17158(14) -0.37409(9) 1.11777(5) 0.0392(4) Uani 1 1 d . . . . .
W16 W 0.31648(13) -0.19805(9) 1.07079(5) 0.0356(4) Uani 1 1 d . . . . .
P1 P 0.2541(7) -0.2320(5) 1.3645(3) 0.0268(18) Uani 1 1 d . . . . .
P2 P 0.2857(8) -0.2927(5) 1.2103(3) 0.031(2) Uani 1 1 d . . . . .
P3 P 0.3862(9) -0.5449(6) 1.1454(3) 0.044(3) Uani 1 1 d . . . . .
P4 P 0.5564(8) -0.3302(6) 1.0922(3) 0.035(2) Uani 1 1 d . . . . .
C31 C 0.324(2) -0.6523(16) 1.1592(11) 0.038(8) Uiso 1 1 d G . . A 1
C32 C 0.215(2) -0.6519(16) 1.1671(13) 0.074(19) Uiso 0.685(6) 1 d G . P A 1
H32A H 0.168639 -0.594027 1.168461 0.088 Uiso 0.685(6) 1 calc R U P A 1
C33 C 0.1741(18) -0.736(2) 1.1729(13) 0.048(13) Uiso 0.685(6) 1 d G . P A 1
H33A H 0.099710 -0.735889 1.178291 0.057 Uiso 0.685(6) 1 calc R U P A 1
C34 C 0.242(2) -0.8209(15) 1.1708(11) 0.045(9) Uiso 1 1 d G . . A 1
H34A H 0.214046 -0.878475 1.174833 0.053 Uiso 1 1 calc R U . A 1
C35 C 0.351(2) -0.8213(17) 1.1629(14) 0.072(18) Uiso 0.685(6) 1 d G . P A 1
H35A H 0.397312 -0.879200 1.161546 0.087 Uiso 0.685(6) 1 calc R U P A 1
C36 C 0.3918(18) -0.737(2) 1.1571(14) 0.08(2) Uiso 0.685(6) 1 d G . P A 1
H36A H 0.466244 -0.737339 1.151716 0.099 Uiso 0.685(6) 1 calc R U P A 1
Cs5B Cs 0.8870(13) -0.4476(10) 1.1686(6) 0.058(2) Uani 0.1711(16) 1 d . U P A 1
Cs5A Cs 0.0390(7) -0.6364(6) 1.1673(3) 0.058(2) Uani 0.315(6) 1 d . U P A 2
C41 C 0.6253(17) -0.2279(14) 1.0639(9) 0.037(8) Uiso 1 1 d G . . . .
C42 C 0.7144(18) -0.2203(14) 1.0908(7) 0.038(8) Uiso 1 1 d G . . . .
H42A H 0.733335 -0.263066 1.126475 0.046 Uiso 1 1 calc R U . A 1
C43 C 0.7758(16) -0.1501(16) 1.0655(10) 0.051(9) Uiso 1 1 d G . . . .
H43A H 0.836647 -0.144830 1.083835 0.061 Uiso 1 1 calc R U . . .
C44 C 0.748(2) -0.0875(15) 1.0132(10) 0.075(13) Uiso 1 1 d G . . . .
H44A H 0.789993 -0.039465 0.995921 0.090 Uiso 1 1 calc R U . . .
C45 C 0.659(2) -0.0951(15) 0.9863(8) 0.069(12) Uiso 1 1 d G . . . .
H45A H 0.640026 -0.052336 0.950646 0.083 Uiso 1 1 calc R U . . .
C46 C 0.5976(17) -0.1653(16) 1.0117(9) 0.052(10) Uiso 1 1 d G . . . .
H46A H 0.536712 -0.170571 0.993286 0.062 Uiso 1 1 calc R U . . .
O11D O 0.3507(19) -0.4388(15) 1.6035(9) 0.043(6) Uiso 1 1 d . . . . .
O12D O 0.538(2) -0.2231(18) 1.5425(11) 0.063(7) Uiso 1 1 d . . . . .
O13D O 0.352(2) -0.2521(16) 1.6141(9) 0.050(6) Uiso 1 1 d . . . . .
O21D O 0.6682(19) -0.7348(15) 1.1473(9) 0.041(5) Uiso 1 1 d . . . . .
O22D O 0.781(2) -0.6899(16) 1.0463(9) 0.046(6) Uiso 1 1 d . . . . .
O23D O 0.666(2) -0.5644(16) 1.1835(9) 0.048(6) Uiso 1 1 d . . . . .
O24D O 0.683(3) -0.481(2) 0.9899(13) 0.054(9) Uiso 0.75 1 d . . P A .
O25D O 0.547(3) -0.617(2) 1.0234(12) 0.047(8) Uiso 0.75 1 d . . P A .
O26D O 0.827(4) -0.550(3) 1.0942(18) 0.042(11) Uiso 0.5 1 d . . P A .
O1T O -0.0065(18) -0.2454(14) 1.5297(9) 0.038(5) Uiso 1 1 d . . . . .
O2T O 0.2256(19) 0.0509(15) 1.4533(9) 0.045(6) Uiso 1 1 d . . . . .
O3T O 0.4482(18) -0.5735(14) 1.4590(8) 0.035(5) Uiso 1 1 d . . . . .
O4T O 0.0238(17) -0.4920(13) 1.4365(8) 0.030(5) Uiso 1 1 d . . . . .
O5T O -0.1582(18) -0.1717(14) 1.3525(8) 0.038(5) Uiso 1 1 d . . . . .
O6T O 0.0755(18) 0.1184(14) 1.2733(8) 0.035(5) Uiso 1 1 d . . . . .
O7T O 0.4601(19) 0.0490(15) 1.2966(9) 0.039(5) Uiso 1 1 d . . . . .
O8T O 0.6602(18) -0.3144(14) 1.3903(8) 0.035(5) Uiso 1 1 d . . . . .
O9T O 0.4899(18) -0.6345(14) 1.2993(8) 0.034(5) Uiso 1 1 d . . . . .
O10T O 0.0542(18) -0.5613(14) 1.2745(8) 0.037(5) Uiso 1 1 d . . . . .
O1P1 O 0.2368(16) -0.2089(12) 1.4214(7) 0.025(4) Uiso 1 1 d . . . . .
O11T O -0.1165(18) -0.2365(14) 1.1872(8) 0.037(5) Uiso 1 1 d . . . . .
O1D1 O 0.2094(17) -0.2891(13) 1.5336(8) 0.029(5) Uiso 1 1 d . . . . .
O1P2 O 0.2786(16) -0.3890(12) 1.2540(7) 0.025(4) Uiso 1 1 d . . . . .
O12T O 0.1141(17) 0.0522(13) 1.1123(8) 0.031(5) Uiso 1 1 d . . . . .
O12 O 0.1205(17) -0.1067(13) 1.4770(8) 0.028(5) Uiso 1 1 d . . . . .
O1P3 O 0.4033(16) -0.5206(12) 1.2001(7) 0.023(4) Uiso 1 1 d . . . . .
O13T O 0.4989(18) -0.0101(14) 1.1317(8) 0.034(5) Uiso 1 1 d . . . . .
O1P4 O 0.5429(17) -0.3494(13) 1.1550(8) 0.029(5) Uiso 1 1 d . . . . .
O14T O 0.6955(18) -0.3731(14) 1.2332(8) 0.033(5) Uiso 1 1 d . . . . .
O14 O 0.1073(17) -0.3568(13) 1.4616(8) 0.030(5) Uiso 1 1 d . . . . .
O15T O 0.098(2) -0.4176(16) 1.0808(10) 0.050(6) Uiso 1 1 d . . . . .
O15 O 0.0125(19) -0.1824(15) 1.4147(9) 0.040(5) Uiso 1 1 d . . . . .
O16T O 0.3271(19) -0.1308(15) 1.0032(9) 0.041(5) Uiso 1 1 d . . . . .
O2D1 O 0.3340(18) -0.1350(14) 1.4940(8) 0.035(5) Uiso 1 1 d . . . . .
O2P1 O 0.2509(17) -0.3400(13) 1.3757(8) 0.029(5) Uiso 1 1 d . . . . .
O2P2 O 0.1854(19) -0.2193(14) 1.2130(8) 0.039(5) Uiso 1 1 d . . . . .
O2P3 O 0.3067(18) -0.4664(14) 1.1087(8) 0.036(5) Uiso 1 1 d . . . . .
O2P4 O 0.4457(18) -0.3027(14) 1.0657(8) 0.037(5) Uiso 1 1 d . . . . .
O26 O 0.1487(17) -0.0157(13) 1.3707(8) 0.031(5) Uiso 1 1 d . . . . .
O27 O 0.3515(17) -0.0510(13) 1.3827(8) 0.031(5) Uiso 1 1 d . . . . .
O3D1 O 0.3588(17) -0.4096(13) 1.4784(8) 0.028(5) Uiso 1 1 d . . . . .
O3P1 O 0.1605(17) -0.1721(13) 1.3264(8) 0.029(5) Uiso 1 1 d . . . . .
O3P2 O 0.3889(15) -0.2543(12) 1.2185(7) 0.021(4) Uiso 1 1 d . . . . .
O3P3 O 0.486(2) -0.5582(16) 1.1119(10) 0.049(6) Uiso 1 1 d . . . . .
O34 O 0.2375(16) -0.5095(13) 1.4370(8) 0.027(4) Uiso 1 1 d . . . . .
O3P4 O 0.6160(18) -0.4130(14) 1.0729(8) 0.035(5) Uiso 1 1 d . . . . .
O38 O 0.4753(16) -0.3969(12) 1.3860(7) 0.024(4) Uiso 1 1 d . . . . .
O39 O 0.3758(17) -0.5083(13) 1.3505(8) 0.030(5) Uiso 1 1 d . . . . .
O4P1 O 0.3630(17) -0.2078(13) 1.3392(8) 0.027(4) Uiso 1 1 d . . . . .
O4P2 O 0.2930(15) -0.3090(12) 1.1518(7) 0.020(4) Uiso 1 1 d . . . . .
O45 O 0.0277(19) -0.3165(15) 1.3611(9) 0.044(6) Uiso 1 1 d . . . . .
O56 O -0.0127(18) -0.0470(14) 1.3141(8) 0.036(5) Uiso 1 1 d . . . . .
O67 O 0.2699(18) -0.0131(14) 1.2820(8) 0.036(5) Uiso 1 1 d . . . . .
O78 O 0.5259(18) -0.1418(14) 1.3409(8) 0.037(5) Uiso 1 1 d . . . . .
O8D1 O 0.4777(17) -0.2644(13) 1.4410(8) 0.030(5) Uiso 1 1 d . . . . .
O101 O 0.052(2) -0.3616(16) 1.2481(9) 0.047(6) Uiso 1 1 d . . . . .
O105 O 0.1667(17) -0.4601(13) 1.1887(8) 0.031(5) Uiso 1 1 d . . . . .
O112 O 0.025(2) -0.1127(16) 1.1543(9) 0.045(6) Uiso 1 1 d . . . . .
O115 O 0.0720(18) -0.2847(14) 1.1399(8) 0.033(5) Uiso 1 1 d . . . . .
O123 O 0.2945(16) -0.0548(12) 1.1663(7) 0.023(4) Uiso 1 1 d . . . . .
O126 O 0.2102(17) -0.1244(13) 1.0976(8) 0.032(5) Uiso 1 1 d . . . . .
O134 O 0.5696(18) -0.1981(14) 1.1856(8) 0.034(5) Uiso 1 1 d . . . . .
O136 O 0.4107(19) -0.1546(14) 1.1072(9) 0.040(5) Uiso 1 1 d . . . . .
O156 O 0.227(2) -0.2835(16) 1.0561(9) 0.048(6) Uiso 1 1 d . . . . .
O410 O 0.1375(18) -0.4697(14) 1.3419(8) 0.036(5) Uiso 1 1 d . . . . .
O511 O -0.0180(17) -0.1871(13) 1.2654(8) 0.030(5) Uiso 1 1 d . . . . .
O612 O 0.1132(18) -0.0278(14) 1.2228(9) 0.038(5) Uiso 1 1 d . . . . .
O713 O 0.4484(18) -0.0897(14) 1.2436(8) 0.036(5) Uiso 1 1 d . . . . .
O814 O 0.5564(17) -0.2910(13) 1.2957(8) 0.030(5) Uiso 1 1 d . . . . .
O910 O 0.2717(18) -0.5710(14) 1.2819(8) 0.035(5) Uiso 1 1 d . . . . .
O914 O 0.5030(16) -0.4423(13) 1.2603(8) 0.027(4) Uiso 1 1 d . . . . .
Cs1 Cs -0.2868(2) -0.11230(19) 1.24787(11) 0.0582(7) Uani 1 1 d . . . . .
Cs2A Cs 0.0755(6) 0.2186(3) 1.36336(16) 0.0636(13) Uani 0.765(11) 1 d . . P B 1
Cs2B Cs 0.1344(19) 0.2270(10) 1.3607(6) 0.0636(13) Uani 0.235(11) 1 d . U P B 2
Cs3A Cs 0.1719(4) -0.6749(3) 1.52688(14) 0.0670(12) Uani 0.821(7) 1 d . . P C 1
Cs3B Cs 0.2180(17) -0.7228(14) 1.5166(7) 0.0670(12) Uani 0.179(7) 1 d . U P C 2
Cs4 Cs 0.5481(9) -0.0090(7) 1.4488(4) 0.057(2) Uani 0.25 1 d . U P B .
K1 K 0.670(3) -0.904(2) 1.1175(13) 0.046(7) Uani 0.25 1 d . U P . .
O1W O 0.197(2) -0.5137(16) 1.5623(9) 0.047(6) Uiso 1 1 d . . . . .
O2W O 0.576(2) -0.7831(16) 1.2523(9) 0.048(6) Uiso 1 1 d . . . . .
O3W O -0.067(2) 0.0471(17) 1.4271(10) 0.057(7) Uiso 1 1 d . . . . .
O4W O 0.049(2) 0.2505(19) 1.0177(11) 0.050(7) Uiso 0.85 1 d . . P . .
O5W O 0.263(2) 0.308(2) 1.4072(11) 0.047(8) Uiso 0.8 1 d . . P . .
O6W O 0.297(3) 0.217(2) 1.3131(14) 0.051(9) Uiso 0.7 1 d . . P . .
O7W O 0.158(4) -0.612(3) 1.6830(17) 0.057(11) Uiso 0.6 1 d . . P . .
O8W O 0.500000 0.000000 1.000000 0.040(8) Uiso 1 2 d S . P . .
O9W O -0.232(3) 0.074(3) 1.2752(16) 0.052(11) Uiso 0.6 1 d . . P . .
O10W O 0.836(4) -0.964(3) 1.169(2) 0.056(13) Uiso 0.5 1 d . . P . .
O11W O 0.731(3) 0.064(3) 1.3847(15) 0.056(10) Uiso 0.65 1 d . . P . .
O12W O -0.141(4) 0.330(3) 1.349(2) 0.057(13) Uiso 0.5 1 d . . P . .
O13W O -0.032(4) 0.096(3) 0.981(2) 0.053(13) Uiso 0.5 1 d . . P . .
O14W O -0.094(4) -0.802(3) 1.2105(18) 0.046(12) Uiso 0.5 1 d . . P . .
O15W O 0.873(5) -0.957(4) 1.090(3) 0.057(17) Uiso 0.4 1 d . . P . .
O16W O 0.307(5) -0.887(4) 1.541(2) 0.041(14) Uiso 0.4 1 d . . P . .


_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
Dy1 O8D1 2.336(19) . ?
Dy1 O2D1 2.34(2) . ?
Dy1 O1D1 2.34(2) . ?
Dy1 O12D 2.40(3) . ?
Dy1 O3D1 2.401(18) . ?
Dy1 O13D 2.43(2) . ?
Dy1 O3T 2.43(2) 2_648 ?
Dy1 O11D 2.46(2) . ?
Dy2 O26D 2.25(5) . ?
Dy2 O3P3 2.27(3) . ?
Dy2 O3P4 2.280(19) . ?
Dy2 O21D 2.38(2) . ?
Dy2 O22D 2.45(2) . ?
Dy2 O24D 2.46(3) . ?
Dy2 O23D 2.46(2) . ?
Dy2 O25D 2.47(3) . ?
W1 O1T 1.73(2) . ?
W1 O1D1 1.76(2) . ?
W1 O12 1.938(18) . ?
W1 O14 1.967(18) . ?
W1 O15 2.08(2) . ?
W1 O1P1 2.279(19) . ?
W2 O2T 1.76(2) . ?
W2 O2D1 1.78(2) . ?
W2 O27 1.88(2) . ?
W2 O12 1.93(2) . ?
W2 O26 2.07(2) . ?
W2 O1P1 2.327(17) . ?
W3 O3T 1.69(2) . ?
W3 O3D1 1.709(17) . ?
W3 O38 1.853(19) . ?
W3 O34 1.94(2) . ?
W3 O39 2.142(18) . ?
W3 O2P1 2.32(2) . ?
W4 O4T 1.63(2) . ?
W4 O45 1.85(2) . ?
W4 O14 1.874(18) . ?
W4 O34 1.91(2) . ?
W4 O410 1.916(19) . ?
W4 O2P1 2.32(2) . ?
W5 O5T 1.72(2) . ?
W5 O15 1.80(2) . ?
W5 O56 1.88(2) . ?
W5 O45 1.94(2) . ?
W5 O511 2.022(18) . ?
W5 O3P1 2.36(2) . ?
W6 O6T 1.71(2) . ?
W6 O26 1.820(19) . ?
W6 O67 1.90(2) . ?
W6 O56 1.92(2) . ?
W6 O612 2.01(2) . ?
W6 O3P1 2.342(19) . ?
W7 O7T 1.69(2) . ?
W7 O78 1.83(2) . ?
W7 O713 1.856(19) . ?
W7 O67 1.88(2) . ?
W7 O27 1.948(19) . ?
W7 O4P1 2.330(18) . ?
W8 O8T 1.68(2) . ?
W8 O8D1 1.731(18) . ?
W8 O78 1.92(2) . ?
W8 O38 1.951(17) . ?
W8 O814 2.099(18) . ?
W8 O4P1 2.32(2) . ?
W9 O9T 1.70(2) . ?
W9 O39 1.774(18) . ?
W9 O914 1.866(19) . ?
W9 O910 1.93(2) . ?
W9 O1P3 2.053(17) . ?
W9 O1P2 2.322(19) . ?
W10 O10T 1.72(2) . ?
W10 O410 1.880(19) . ?
W10 O910 1.88(2) . ?
W10 O101 1.89(2) . ?
W10 O105 1.945(19) . ?
W10 O1P2 2.351(19) . ?
W11 O11T 1.68(2) . ?
W11 O511 1.809(18) . ?
W11 O112 1.89(2) . ?
W11 O101 1.90(2) . ?
W11 O115 2.035(19) . ?
W11 O2P2 2.34(2) . ?
W12 O12T 1.669(19) . ?
W12 O612 1.81(2) . ?
W12 O123 1.88(2) . ?
W12 O112 1.94(2) . ?
W12 O126 2.055(19) . ?
W12 O2P2 2.38(2) . ?
W13 O13T 1.70(2) . ?
W13 O134 1.89(2) . ?
W13 O123 1.90(2) . ?
W13 O713 1.950(19) . ?
W13 O136 1.95(2) . ?
W13 O3P2 2.372(17) . ?
W14 O14T 1.69(2) . ?
W14 O814 1.803(18) . ?
W14 O914 1.899(18) . ?
W14 O134 1.95(2) . ?
W14 O1P4 2.071(18) . ?
W14 O3P2 2.303(19) . ?
W15 O15T 1.66(2) . ?
W15 O115 1.83(2) . ?
W15 O105 1.867(19) . ?
W15 O156 1.92(2) . ?
W15 O2P3 2.03(2) . ?
W15 O4P2 2.271(18) . ?
W16 O16T 1.71(2) . ?
W16 O126 1.79(2) . ?
W16 O136 1.84(2) . ?
W16 O156 1.95(2) . ?
W16 O2P4 2.06(2) . ?
W16 O4P2 2.252(17) . ?
P1 O2P1 1.532(19) . ?
P1 O1P1 1.543(18) . ?
P1 O3P1 1.55(2) . ?
P1 O4P1 1.55(2) . ?
P2 O2P2 1.53(2) . ?
P2 O4P2 1.534(17) . ?
P2 O1P2 1.535(19) . ?
P2 O3P2 1.57(2) . ?
P3 O3P3 1.50(3) . ?
P3 O2P3 1.51(2) . ?
P3 O1P3 1.539(18) . ?
P3 C31 1.83(2) . ?
P4 O3P4 1.49(2) . ?
P4 O1P4 1.52(2) . ?
P4 O2P4 1.53(2) . ?
P4 C41 1.820(18) . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
Cs5B O26D 2.89(4) . ?
Cs5B O14T 3.05(3) . ?
Cs5B O11T 3.24(2) 1_655 ?
Cs5B O10T 3.35(3) 1_655 ?
Cs5B O15T 3.38(3) 1_655 ?
Cs5B O23D 3.50(3) . ?
Cs5B O115 3.55(3) 1_655 ?
Cs5B O101 3.58(3) 1_655 ?
Cs5B O105 3.60(3) 1_655 ?
Cs5A O14W 3.11(5) . ?
Cs5A O10T 3.19(2) . ?
Cs5A O26D 3.21(5) 1_455 ?
Cs5A O105 3.46(2) . ?
Cs5A O15T 3.50(2) . ?
Cs5A O6T 3.78(2) 1_545 ?
C41 C42 1.3900 . ?
C41 C46 1.3900 . ?
C42 C43 1.3900 . ?
C43 C44 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
O12D Cs4 3.36(3) . ?
O12D Cs3B 3.42(4) 2_648 ?
O12D Cs4 3.43(3) 2_658 ?
O21D K1 2.76(4) . ?
O1T Cs2A 2.87(2) 2_558 ?
O1T Cs2B 3.15(3) 2_558 ?
O1T Cs3A 3.15(2) 2_548 ?
O1T Cs3B 3.15(3) 2_548 ?
O2T Cs2B 3.04(3) . ?
O2T Cs2A 3.24(2) . ?
O2T Cs4 3.75(3) 2_658 ?
O4T Cs3A 3.34(2) . ?
O4T Cs3A 3.44(2) 2_548 ?
O5T Cs1 3.00(2) . ?
O5T Cs3A 3.23(2) 2_548 ?
O5T Cs3B 3.30(3) 2_548 ?
O6T Cs2A 3.002(19) . ?
O6T Cs2B 3.22(2) . ?
O8T Cs3A 3.02(2) 2_648 ?
O8T Cs3B 3.09(3) 2_648 ?
O10T Cs2B 3.27(2) 1_545 ?
O10T Cs2A 3.33(2) 1_545 ?
O11T Cs1 3.17(2) . ?
O13T K1 2.86(4) 1_565 ?
O14 Cs3A 3.51(2) 2_548 ?
O15 Cs3A 3.41(2) 2_548 ?
O15 Cs3B 3.61(3) 2_548 ?
O16T K1 2.91(4) 2_647 ?
O2D1 Cs4 3.43(2) 2_658 ?
O2D1 Cs4 3.52(2) . ?
O26 Cs2A 3.341(19) . ?
O26 Cs2B 3.46(2) . ?
O27 Cs4 3.32(2) . ?
O34 Cs3A 3.007(19) . ?
O34 Cs3B 3.24(2) . ?
O45 Cs3A 3.65(2) 2_548 ?
O78 Cs1 3.23(2) 1_655 ?
O78 Cs4 3.78(2) . ?
O134 Cs1 3.09(2) 1_655 ?
O511 Cs1 3.42(2) . ?
O713 Cs1 3.34(2) 1_655 ?
O814 Cs1 3.477(19) 1_655 ?
O910 Cs2B 3.72(3) 1_545 ?
Cs1 O10W 3.08(5) 1_465 ?
Cs1 O9W 3.18(4) . ?
Cs2A O12W 2.94(5) . ?
Cs2A O6W 3.02(4) . ?
Cs2A O5W 3.29(3) . ?
Cs2A O3W 3.34(3) . ?
Cs2B O6W 2.33(4) . ?
Cs2B O5W 2.67(3) . ?
Cs2B O12W 3.57(6) . ?
Cs3A O1W 2.81(2) . ?
Cs3A O5W 3.19(3) 1_545 ?
Cs3A O16W 3.21(5) . ?
Cs3B O5W 2.68(3) 1_545 ?
Cs3B O1W 3.51(3) . ?
Cs4 O16W 2.15(6) 2_648 ?
Cs4 O11W 2.94(4) . ?
K1 O10W 2.42(6) . ?
K1 O15W 2.67(8) . ?

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
O8D1 Dy1 O2D1 77.4(7) . . ?
O8D1 Dy1 O1D1 118.7(7) . . ?
O2D1 Dy1 O1D1 76.6(7) . . ?
O8D1 Dy1 O12D 76.5(8) . . ?
O2D1 Dy1 O12D 74.3(8) . . ?
O1D1 Dy1 O12D 142.9(8) . . ?
O8D1 Dy1 O3D1 70.9(6) . . ?
O2D1 Dy1 O3D1 119.4(7) . . ?
O1D1 Dy1 O3D1 75.6(7) . . ?
O12D Dy1 O3D1 139.6(8) . . ?
O8D1 Dy1 O13D 145.6(7) . . ?
O2D1 Dy1 O13D 78.1(7) . . ?
O1D1 Dy1 O13D 78.1(8) . . ?
O12D Dy1 O13D 73.9(9) . . ?
O3D1 Dy1 O13D 143.1(7) . . ?
O8D1 Dy1 O3T 77.5(7) . 2_648 ?
O2D1 Dy1 O3T 144.3(7) . 2_648 ?
O1D1 Dy1 O3T 138.3(7) . 2_648 ?
O12D Dy1 O3T 75.5(8) . 2_648 ?
O3D1 Dy1 O3T 74.7(7) . 2_648 ?
O13D Dy1 O3T 110.9(8) . 2_648 ?
O8D1 Dy1 O11D 141.3(7) . . ?
O2D1 Dy1 O11D 139.0(7) . . ?
O1D1 Dy1 O11D 71.7(7) . . ?
O12D Dy1 O11D 119.2(8) . . ?
O3D1 Dy1 O11D 77.0(7) . . ?
O13D Dy1 O11D 70.5(7) . . ?
O3T Dy1 O11D 73.6(7) 2_648 . ?
O26D Dy2 O3P3 150.5(12) . . ?
O26D Dy2 O3P4 84.2(12) . . ?
O3P3 Dy2 O3P4 77.5(8) . . ?
O26D Dy2 O21D 101.5(12) . . ?
O3P3 Dy2 O21D 83.9(8) . . ?
O3P4 Dy2 O21D 149.3(7) . . ?
O26D Dy2 O22D 73.2(12) . . ?
O3P3 Dy2 O22D 134.8(8) . . ?
O3P4 Dy2 O22D 138.5(8) . . ?
O21D Dy2 O22D 70.9(7) . . ?
O26D Dy2 O24D 82.5(14) . . ?
O3P3 Dy2 O24D 109.8(10) . . ?
O3P4 Dy2 O24D 65.6(9) . . ?
O21D Dy2 O24D 144.8(9) . . ?
O22D Dy2 O24D 77.1(9) . . ?
O26D Dy2 O23D 76.7(12) . . ?
O3P3 Dy2 O23D 77.4(8) . . ?
O3P4 Dy2 O23D 79.5(7) . . ?
O21D Dy2 O23D 72.7(7) . . ?
O22D Dy2 O23D 126.0(8) . . ?
O24D Dy2 O23D 140.9(9) . . ?
O26D Dy2 O25D 141.5(13) . . ?
O3P3 Dy2 O25D 66.7(9) . . ?
O3P4 Dy2 O25D 105.4(9) . . ?
O21D Dy2 O25D 88.9(9) . . ?
O22D Dy2 O25D 75.7(9) . . ?
O24D Dy2 O25D 68.9(10) . . ?
O23D Dy2 O25D 141.2(9) . . ?
O1T W1 O1D1 102.2(10) . . ?
O1T W1 O12 99.9(9) . . ?
O1D1 W1 O12 94.6(8) . . ?
O1T W1 O14 99.9(9) . . ?
O1D1 W1 O14 95.6(8) . . ?
O12 W1 O14 155.2(8) . . ?
O1T W1 O15 92.7(9) . . ?
O1D1 W1 O15 164.9(9) . . ?
O12 W1 O15 84.5(8) . . ?
O14 W1 O15 79.8(8) . . ?
O1T W1 O1P1 171.1(8) . . ?
O1D1 W1 O1P1 84.5(8) . . ?
O12 W1 O1P1 73.6(7) . . ?
O14 W1 O1P1 85.0(7) . . ?
O15 W1 O1P1 80.8(8) . . ?
O2T W2 O2D1 102.4(10) . . ?
O2T W2 O27 103.1(9) . . ?
O2D1 W2 O27 95.6(9) . . ?
O2T W2 O12 97.6(9) . . ?
O2D1 W2 O12 94.4(9) . . ?
O27 W2 O12 154.5(8) . . ?
O2T W2 O26 93.8(9) . . ?
O2D1 W2 O26 163.7(8) . . ?
O27 W2 O26 80.8(8) . . ?
O12 W2 O26 83.0(8) . . ?
O2T W2 O1P1 168.6(10) . . ?
O2D1 W2 O1P1 84.6(8) . . ?
O27 W2 O1P1 85.0(7) . . ?
O12 W2 O1P1 72.7(7) . . ?
O26 W2 O1P1 79.3(7) . . ?
O3T W3 O3D1 100.9(9) . . ?
O3T W3 O38 103.2(9) . . ?
O3D1 W3 O38 95.8(8) . . ?
O3T W3 O34 96.7(9) . . ?
O3D1 W3 O34 96.4(9) . . ?
O38 W3 O34 154.2(8) . . ?
O3T W3 O39 91.4(8) . . ?
O3D1 W3 O39 167.6(8) . . ?
O38 W3 O39 80.6(8) . . ?
O34 W3 O39 82.7(8) . . ?
O3T W3 O2P1 167.5(8) . . ?
O3D1 W3 O2P1 87.4(8) . . ?
O38 W3 O2P1 85.0(8) . . ?
O34 W3 O2P1 73.0(7) . . ?
O39 W3 O2P1 80.5(7) . . ?
O4T W4 O45 103.1(10) . . ?
O4T W4 O14 97.3(9) . . ?
O45 W4 O14 89.7(9) . . ?
O4T W4 O34 98.7(9) . . ?
O45 W4 O34 157.7(9) . . ?
O14 W4 O34 92.2(8) . . ?
O4T W4 O410 97.1(9) . . ?
O45 W4 O410 85.9(9) . . ?
O14 W4 O410 165.6(9) . . ?
O34 W4 O410 86.8(8) . . ?
O4T W4 O2P1 171.6(9) . . ?
O45 W4 O2P1 85.0(9) . . ?
O14 W4 O2P1 80.0(8) . . ?
O34 W4 O2P1 73.5(8) . . ?
O410 W4 O2P1 85.9(8) . . ?
O5T W5 O15 100.4(10) . . ?
O5T W5 O56 100.6(10) . . ?
O15 W5 O56 95.3(9) . . ?
O5T W5 O45 102.4(10) . . ?
O15 W5 O45 89.6(9) . . ?
O56 W5 O45 155.1(10) . . ?
O5T W5 O511 94.7(9) . . ?
O15 W5 O511 164.3(10) . . ?
O56 W5 O511 86.1(8) . . ?
O45 W5 O511 82.8(8) . . ?
O5T W5 O3P1 173.6(8) . . ?
O15 W5 O3P1 83.5(9) . . ?
O56 W5 O3P1 73.8(8) . . ?
O45 W5 O3P1 82.6(9) . . ?
O511 W5 O3P1 81.9(7) . . ?
O6T W6 O26 102.3(9) . . ?
O6T W6 O67 103.1(10) . . ?
O26 W6 O67 89.3(9) . . ?
O6T W6 O56 98.8(10) . . ?
O26 W6 O56 94.1(9) . . ?
O67 W6 O56 156.5(8) . . ?
O6T W6 O612 93.7(9) . . ?
O26 W6 O612 163.8(8) . . ?
O67 W6 O612 84.4(9) . . ?
O56 W6 O612 86.1(9) . . ?
O6T W6 O3P1 171.4(9) . . ?
O26 W6 O3P1 82.8(7) . . ?
O67 W6 O3P1 83.7(8) . . ?
O56 W6 O3P1 73.7(8) . . ?
O612 W6 O3P1 81.7(7) . . ?
O7T W7 O78 99.8(10) . . ?
O7T W7 O713 100.9(9) . . ?
O78 W7 O713 86.8(9) . . ?
O7T W7 O67 103.9(10) . . ?
O78 W7 O67 156.3(9) . . ?
O713 W7 O67 88.3(9) . . ?
O7T W7 O27 95.5(9) . . ?
O78 W7 O27 90.7(9) . . ?
O713 W7 O27 163.6(8) . . ?
O67 W7 O27 87.6(9) . . ?
O7T W7 O4P1 169.6(9) . . ?
O78 W7 O4P1 71.0(8) . . ?
O713 W7 O4P1 83.6(8) . . ?
O67 W7 O4P1 85.5(8) . . ?
O27 W7 O4P1 80.3(7) . . ?
O8T W8 O8D1 102.7(10) . . ?
O8T W8 O78 101.4(10) . . ?
O8D1 W8 O78 97.3(8) . . ?
O8T W8 O38 103.4(9) . . ?
O8D1 W8 O38 92.8(8) . . ?
O78 W8 O38 150.4(9) . . ?
O8T W8 O814 89.7(9) . . ?
O8D1 W8 O814 167.1(9) . . ?
O78 W8 O814 83.5(8) . . ?
O38 W8 O814 80.6(7) . . ?
O8T W8 O4P1 167.0(8) . . ?
O8D1 W8 O4P1 88.2(8) . . ?
O78 W8 O4P1 69.9(8) . . ?
O38 W8 O4P1 82.8(7) . . ?
O814 W8 O4P1 79.9(7) . . ?
O9T W9 O39 101.9(9) . . ?
O9T W9 O914 100.3(9) . . ?
O39 W9 O914 97.7(8) . . ?
O9T W9 O910 100.4(9) . . ?
O39 W9 O910 91.7(9) . . ?
O914 W9 O910 155.0(8) . . ?
O9T W9 O1P3 93.1(8) . . ?
O39 W9 O1P3 164.3(9) . . ?
O914 W9 O1P3 83.9(7) . . ?
O910 W9 O1P3 81.0(8) . . ?
O9T W9 O1P2 172.2(8) . . ?
O39 W9 O1P2 83.5(8) . . ?
O914 W9 O1P2 84.3(8) . . ?
O910 W9 O1P2 73.7(8) . . ?
O1P3 W9 O1P2 81.1(7) . . ?
O10T W10 O410 101.0(9) . . ?
O10T W10 O910 100.3(10) . . ?
O410 W10 O910 92.3(9) . . ?
O10T W10 O101 101.8(10) . . ?
O410 W10 O101 87.3(9) . . ?
O910 W10 O101 157.5(10) . . ?
O10T W10 O105 96.1(9) . . ?
O410 W10 O105 162.1(8) . . ?
O910 W10 O105 89.9(9) . . ?
O101 W10 O105 83.9(9) . . ?
O10T W10 O1P2 172.1(8) . . ?
O410 W10 O1P2 84.9(8) . . ?
O910 W10 O1P2 73.9(8) . . ?
O101 W10 O1P2 83.7(9) . . ?
O105 W10 O1P2 78.7(7) . . ?
O11T W11 O511 101.5(10) . . ?
O11T W11 O112 98.8(10) . . ?
O511 W11 O112 95.4(9) . . ?
O11T W11 O101 101.7(10) . . ?
O511 W11 O101 93.0(9) . . ?
O112 W11 O101 155.8(11) . . ?
O11T W11 O115 91.8(9) . . ?
O511 W11 O115 166.7(9) . . ?
O112 W11 O115 82.7(9) . . ?
O101 W11 O115 83.9(9) . . ?
O11T W11 O2P2 170.7(8) . . ?
O511 W11 O2P2 86.0(8) . . ?
O112 W11 O2P2 74.7(9) . . ?
O101 W11 O2P2 83.4(9) . . ?
O115 W11 O2P2 80.9(8) . . ?
O12T W12 O612 100.7(9) . . ?
O12T W12 O123 100.7(9) . . ?
O612 W12 O123 92.5(9) . . ?
O12T W12 O112 99.7(10) . . ?
O612 W12 O112 95.0(10) . . ?
O123 W12 O112 156.5(9) . . ?
O12T W12 O126 95.3(8) . . ?
O612 W12 O126 163.9(9) . . ?
O123 W12 O126 82.3(8) . . ?
O112 W12 O126 84.4(9) . . ?
O12T W12 O2P2 171.3(8) . . ?
O612 W12 O2P2 84.9(8) . . ?
O123 W12 O2P2 85.6(8) . . ?
O112 W12 O2P2 72.9(9) . . ?
O126 W12 O2P2 79.6(7) . . ?
O13T W13 O134 97.9(10) . . ?
O13T W13 O123 103.1(9) . . ?
O134 W13 O123 158.9(8) . . ?
O13T W13 O713 99.5(9) . . ?
O134 W13 O713 87.9(9) . . ?
O123 W13 O713 89.6(8) . . ?
O13T W13 O136 98.9(9) . . ?
O134 W13 O136 91.9(9) . . ?
O123 W13 O136 83.9(8) . . ?
O713 W13 O136 161.4(9) . . ?
O13T W13 O3P2 171.5(9) . . ?
O134 W13 O3P2 74.0(8) . . ?
O123 W13 O3P2 85.0(7) . . ?
O713 W13 O3P2 83.1(7) . . ?
O136 W13 O3P2 79.1(7) . . ?
O14T W14 O814 98.2(9) . . ?
O14T W14 O914 102.3(9) . . ?
O814 W14 O914 98.1(8) . . ?
O14T W14 O134 98.4(9) . . ?
O814 W14 O134 92.4(8) . . ?
O914 W14 O134 155.1(9) . . ?
O14T W14 O1P4 93.4(9) . . ?
O814 W14 O1P4 167.4(9) . . ?
O914 W14 O1P4 84.1(7) . . ?
O134 W14 O1P4 81.0(8) . . ?
O14T W14 O3P2 171.8(8) . . ?
O814 W14 O3P2 86.6(8) . . ?
O914 W14 O3P2 83.4(8) . . ?
O134 W14 O3P2 74.7(8) . . ?
O1P4 W14 O3P2 81.4(7) . . ?
O15T W15 O115 101.8(11) . . ?
O15T W15 O105 101.9(10) . . ?
O115 W15 O105 90.1(9) . . ?
O15T W15 O156 97.3(11) . . ?
O115 W15 O156 96.0(9) . . ?
O105 W15 O156 158.2(10) . . ?
O15T W15 O2P3 93.6(10) . . ?
O115 W15 O2P3 164.4(9) . . ?
O105 W15 O2P3 83.7(8) . . ?
O156 W15 O2P3 85.0(9) . . ?
O15T W15 O4P2 168.0(9) . . ?
O115 W15 O4P2 85.4(8) . . ?
O105 W15 O4P2 87.6(8) . . ?
O156 W15 O4P2 72.1(8) . . ?
O2P3 W15 O4P2 80.0(7) . . ?
O16T W16 O126 102.1(10) . . ?
O16T W16 O136 102.4(10) . . ?
O126 W16 O136 88.2(9) . . ?
O16T W16 O156 96.9(10) . . ?
O126 W16 O156 95.2(10) . . ?
O136 W16 O156 159.2(9) . . ?
O16T W16 O2P4 94.9(10) . . ?
O126 W16 O2P4 162.4(8) . . ?
O136 W16 O2P4 83.6(9) . . ?
O156 W16 O2P4 87.3(9) . . ?
O16T W16 O4P2 168.2(8) . . ?
O126 W16 O4P2 83.3(8) . . ?
O136 W16 O4P2 88.1(8) . . ?
O156 W16 O4P2 72.0(8) . . ?
O2P4 W16 O4P2 80.9(7) . . ?
O2P1 P1 O1P1 106.5(10) . . ?
O2P1 P1 O3P1 109.8(11) . . ?
O1P1 P1 O3P1 107.8(11) . . ?
O2P1 P1 O4P1 111.2(11) . . ?
O1P1 P1 O4P1 109.6(11) . . ?
O3P1 P1 O4P1 111.8(11) . . ?
O2P2 P2 O4P2 108.1(12) . . ?
O2P2 P2 O1P2 109.9(12) . . ?
O4P2 P2 O1P2 109.1(10) . . ?
O2P2 P2 O3P2 111.6(11) . . ?
O4P2 P2 O3P2 107.2(11) . . ?
O1P2 P2 O3P2 110.8(11) . . ?
O3P3 P3 O2P3 107.9(13) . . ?
O3P3 P3 O1P3 113.4(14) . . ?
O2P3 P3 O1P3 110.9(11) . . ?
O3P3 P3 C31 109.6(13) . . ?
O2P3 P3 C31 103.7(14) . . ?
O1P3 P3 C31 110.8(12) . . ?
O3P4 P4 O1P4 115.1(12) . . ?
O3P4 P4 O2P4 107.9(12) . . ?
O1P4 P4 O2P4 108.7(12) . . ?
O3P4 P4 C41 107.3(12) . . ?
O1P4 P4 C41 110.5(11) . . ?
O2P4 P4 C41 107.0(11) . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P3 124.2(17) . . ?
C36 C31 P3 115.6(17) . . ?
C33 C32 C31 120.0 . . ?
C32 C33 C34 120.0 . . ?
C35 C34 C33 120.0 . . ?
C34 C35 C36 120.0 . . ?
C35 C36 C31 120.0 . . ?
O26D Cs5B O14T 111.8(12) . . ?
O26D Cs5B O11T 144.7(11) . 1_655 ?
O14T Cs5B O11T 64.1(6) . 1_655 ?
O26D Cs5B O10T 120.9(10) . 1_655 ?
O14T Cs5B O10T 100.0(7) . 1_655 ?
O11T Cs5B O10T 93.8(6) 1_655 1_655 ?
O26D Cs5B O15T 83.8(11) . 1_655 ?
O14T Cs5B O15T 153.0(7) . 1_655 ?
O11T Cs5B O15T 90.2(7) 1_655 1_655 ?
O10T Cs5B O15T 89.5(7) 1_655 1_655 ?
O26D Cs5B O23D 53.5(10) . . ?
O14T Cs5B O23D 63.0(6) . . ?
O11T Cs5B O23D 125.0(7) 1_655 . ?
O10T Cs5B O23D 109.1(7) 1_655 . ?
O15T Cs5B O23D 137.2(7) 1_655 . ?
O26D Cs5B O115 126.7(11) . 1_655 ?
O14T Cs5B O115 110.1(6) . 1_655 ?
O11T Cs5B O115 46.2(5) 1_655 1_655 ?
O10T Cs5B O115 81.5(6) 1_655 1_655 ?
O15T Cs5B O115 46.0(5) 1_655 1_655 ?
O23D Cs5B O115 167.8(7) . 1_655 ?
O26D Cs5B O101 159.5(12) . 1_655 ?
O14T Cs5B O101 88.2(6) . 1_655 ?
O11T Cs5B O101 47.8(6) 1_655 1_655 ?
O10T Cs5B O101 47.6(5) 1_655 1_655 ?
O15T Cs5B O101 79.6(6) 1_655 1_655 ?
O23D Cs5B O101 141.1(7) . 1_655 ?
O115 Cs5B O101 43.3(5) 1_655 1_655 ?
O26D Cs5B O105 117.6(11) . 1_655 ?
O14T Cs5B O105 129.7(6) . 1_655 ?
O11T Cs5B O105 80.2(6) 1_655 1_655 ?
O10T Cs5B O105 46.0(5) 1_655 1_655 ?
O15T Cs5B O105 46.2(5) 1_655 1_655 ?
O23D Cs5B O105 149.2(7) . 1_655 ?
O115 Cs5B O105 42.9(5) 1_655 1_655 ?
O101 Cs5B O105 41.9(5) 1_655 1_655 ?
O14W Cs5A O10T 103.1(9) . . ?
O14W Cs5A O26D 78.7(12) . 1_455 ?
O10T Cs5A O26D 116.5(9) . 1_455 ?
O14W Cs5A O105 151.4(9) . . ?
O10T Cs5A O105 48.3(5) . . ?
O26D Cs5A O105 113.2(8) 1_455 . ?
O14W Cs5A O15T 155.9(10) . . ?
O10T Cs5A O15T 90.1(5) . . ?
O26D Cs5A O15T 77.4(9) 1_455 . ?
O105 Cs5A O15T 46.4(5) . . ?
O14W Cs5A O6T 43.7(9) . 1_545 ?
O10T Cs5A O6T 83.2(5) . 1_545 ?
O26D Cs5A O6T 122.4(9) 1_455 1_545 ?
O105 Cs5A O6T 118.6(5) . 1_545 ?
O15T Cs5A O6T 160.0(6) . 1_545 ?
C42 C41 C46 120.0 . . ?
C42 C41 P4 119.8(13) . . ?
C46 C41 P4 119.6(13) . . ?
C43 C42 C41 120.0 . . ?
C42 C43 C44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C46 C45 C44 120.0 . . ?
C45 C46 C41 120.0 . . ?
Dy1 O12D Cs4 114.6(10) . . ?
Dy1 O12D Cs3B 119.2(9) . 2_648 ?
Cs4 O12D Cs3B 80.6(7) . 2_648 ?
Dy1 O12D Cs4 113.0(10) . 2_658 ?
Cs4 O12D Cs4 49.0(5) . 2_658 ?
Dy2 O21D K1 127.6(11) . . ?
Dy2 O23D Cs5B 98.0(8) . . ?
Dy2 O26D Cs5B 124.2(18) . . ?
Dy2 O26D Cs5A 141.7(17) . 1_655 ?
Cs5B O26D Cs5A 60.5(9) . 1_655 ?
W1 O1T Cs2A 139.9(11) . 2_558 ?
W1 O1T Cs2B 153.7(11) . 2_558 ?
Cs2A O1T Cs2B 13.9(3) 2_558 2_558 ?
W1 O1T Cs3A 106.4(8) . 2_548 ?
Cs2A O1T Cs3A 113.5(7) 2_558 2_548 ?
W1 O1T Cs3B 118.1(10) . 2_548 ?
Cs2A O1T Cs3B 101.7(8) 2_558 2_548 ?
Cs3A O1T Cs3B 16.7(4) 2_548 2_548 ?
W2 O2T Cs2B 118.0(10) . . ?
W2 O2T Cs2A 114.0(10) . . ?
W2 O2T Cs4 99.0(9) . 2_658 ?
Cs2A O2T Cs4 142.7(7) . 2_658 ?
W3 O3T Dy1 154.3(12) . 2_648 ?
W4 O4T Cs3A 102.6(9) . . ?
W4 O4T Cs3A 100.6(8) . 2_548 ?
Cs3A O4T Cs3A 124.9(6) . 2_548 ?
W5 O5T Cs1 117.4(9) . . ?
W5 O5T Cs3A 100.2(9) . 2_548 ?
Cs1 O5T Cs3A 134.5(7) . 2_548 ?
W5 O5T Cs3B 109.5(10) . 2_548 ?
Cs1 O5T Cs3B 131.4(8) . 2_548 ?
Cs3A O5T Cs3B 16.0(4) 2_548 2_548 ?
W6 O6T Cs2A 111.1(9) . . ?
W6 O6T Cs2B 109.2(9) . . ?
W6 O6T Cs5A 156.0(10) . 1_565 ?
Cs2A O6T Cs5A 88.5(5) . 1_565 ?
W8 O8T Cs3A 142.0(10) . 2_648 ?
W8 O8T Cs3B 125.6(10) . 2_648 ?
Cs3A O8T Cs3B 17.2(4) 2_648 2_648 ?
W10 O10T Cs5A 115.4(9) . . ?
W10 O10T Cs2B 112.7(10) . 1_545 ?
W10 O10T Cs2A 125.2(10) . 1_545 ?
W10 O10T Cs5B 103.0(9) . 1_455 ?
Cs2A O10T Cs5B 131.4(7) 1_545 1_455 ?
P1 O1P1 W1 129.4(11) . . ?
P1 O1P1 W2 126.8(10) . . ?
W1 O1P1 W2 92.4(6) . . ?
W11 O11T Cs1 110.5(8) . . ?
W11 O11T Cs5B 107.1(9) . 1_455 ?
Cs1 O11T Cs5B 130.5(8) . 1_455 ?
W1 O1D1 Dy1 135.5(10) . . ?
P2 O1P2 W9 130.6(12) . . ?
P2 O1P2 W10 129.1(11) . . ?
W9 O1P2 W10 90.7(6) . . ?
W2 O12 W1 118.7(10) . . ?
P3 O1P3 W9 161.8(12) . . ?
W13 O13T K1 148.6(13) . 1_565 ?
P4 O1P4 W14 155.0(12) . . ?
W14 O14T Cs5B 146.5(10) . . ?
W4 O14 W1 153.2(11) . . ?
W4 O14 Cs3A 92.9(7) . 2_548 ?
W1 O14 Cs3A 89.2(7) . 2_548 ?
W15 O15T Cs5B 99.3(10) . 1_455 ?
W15 O15T Cs5A 107.3(10) . . ?
W5 O15 W1 152.5(12) . . ?
W5 O15 Cs3A 92.2(8) . 2_548 ?
W1 O15 Cs3A 90.2(7) . 2_548 ?
W5 O15 Cs3B 96.3(9) . 2_548 ?
W1 O15 Cs3B 92.8(7) . 2_548 ?
Cs3A O15 Cs3B 14.6(3) 2_548 2_548 ?
W16 O16T K1 154.8(12) . 2_647 ?
W2 O2D1 Dy1 134.7(10) . . ?
W2 O2D1 Cs4 110.4(8) . 2_658 ?
Dy1 O2D1 Cs4 114.7(8) . 2_658 ?
W2 O2D1 Cs4 95.6(8) . . ?
Dy1 O2D1 Cs4 110.9(8) . . ?
Cs4 O2D1 Cs4 47.8(4) 2_658 . ?
P1 O2P1 W4 129.5(12) . . ?
P1 O2P1 W3 126.2(12) . . ?
W4 O2P1 W3 92.4(7) . . ?
P2 O2P2 W11 128.6(11) . . ?
P2 O2P2 W12 126.2(12) . . ?
W11 O2P2 W12 89.7(8) . . ?
P3 O2P3 W15 138.4(13) . . ?
P4 O2P4 W16 132.6(12) . . ?
W6 O26 W2 152.3(12) . . ?
W6 O26 Cs2A 95.6(7) . . ?
W2 O26 Cs2A 101.7(6) . . ?
W6 O26 Cs2B 97.6(8) . . ?
W2 O26 Cs2B 94.7(7) . . ?
W2 O27 W7 154.6(12) . . ?
W2 O27 Cs4 100.3(7) . . ?
W7 O27 Cs4 105.0(8) . . ?
W3 O3D1 Dy1 156.1(11) . . ?
P1 O3P1 W6 125.1(11) . . ?
P1 O3P1 W5 126.1(11) . . ?
W6 O3P1 W5 89.9(7) . . ?
P2 O3P2 W14 132.1(10) . . ?
P2 O3P2 W13 128.0(10) . . ?
W14 O3P2 W13 90.8(7) . . ?
P3 O3P3 Dy2 161.4(15) . . ?
W4 O34 W3 120.8(9) . . ?
W4 O34 Cs3A 107.6(8) . . ?
W3 O34 Cs3A 128.3(9) . . ?
W4 O34 Cs3B 118.9(9) . . ?
W3 O34 Cs3B 120.0(9) . . ?
P4 O3P4 Dy2 148.6(13) . . ?
W3 O38 W8 140.9(10) . . ?
W9 O39 W3 165.1(12) . . ?
P1 O4P1 W8 126.8(11) . . ?
P1 O4P1 W7 126.3(11) . . ?
W8 O4P1 W7 92.4(7) . . ?
P2 O4P2 W16 126.1(9) . . ?
P2 O4P2 W15 123.9(11) . . ?
W16 O4P2 W15 95.3(6) . . ?
W4 O45 W5 146.0(12) . . ?
W4 O45 Cs3A 88.9(8) . 2_548 ?
W5 O45 Cs3A 82.9(7) . 2_548 ?
W5 O56 W6 122.1(12) . . ?
W7 O67 W6 147.9(12) . . ?
W7 O78 W8 126.6(12) . . ?
W7 O78 Cs1 105.2(8) . 1_655 ?
W8 O78 Cs1 110.5(8) . 1_655 ?
W7 O78 Cs4 92.1(7) . . ?
W8 O78 Cs4 109.6(8) . . ?
Cs1 O78 Cs4 111.4(6) 1_655 . ?
W8 O8D1 Dy1 159.9(10) . . ?
W10 O101 W11 155.9(14) . . ?
W10 O101 Cs5B 91.8(8) . 1_455 ?
W11 O101 Cs5B 90.4(8) . 1_455 ?
W15 O105 W10 149.8(11) . . ?
W15 O105 Cs5A 103.8(7) . . ?
W10 O105 Cs5A 98.8(7) . . ?
W15 O105 Cs5B 88.3(8) . 1_455 ?
W10 O105 Cs5B 90.3(7) . 1_455 ?
W11 O112 W12 120.8(12) . . ?
W15 O115 W11 146.7(12) . . ?
W15 O115 Cs5B 90.3(7) . 1_455 ?
W11 O115 Cs5B 89.0(7) . 1_455 ?
W12 O123 W13 155.0(10) . . ?
W16 O126 W12 150.4(12) . . ?
W13 O134 W14 120.1(11) . . ?
W13 O134 Cs1 105.9(7) . 1_655 ?
W14 O134 Cs1 105.9(8) . 1_655 ?
W16 O136 W13 150.0(13) . . ?
W15 O156 W16 119.4(11) . . ?
W10 O410 W4 164.8(12) . . ?
W11 O511 W5 161.9(11) . . ?
W11 O511 Cs1 97.3(8) . . ?
W5 O511 Cs1 93.8(7) . . ?
W12 O612 W6 162.3(14) . . ?
W7 O713 W13 161.8(13) . . ?
W7 O713 Cs1 100.5(8) . 1_655 ?
W13 O713 Cs1 96.3(8) . 1_655 ?
W14 O814 W8 166.0(11) . . ?
W14 O814 Cs1 96.2(7) . 1_655 ?
W8 O814 Cs1 97.6(6) . 1_655 ?
W10 O910 W9 121.1(10) . . ?
W10 O910 Cs2B 92.3(8) . 1_545 ?
W9 O910 Cs2B 138.5(9) . 1_545 ?
W9 O914 W14 162.9(12) . . ?
O5T Cs1 O10W 102.3(10) . 1_465 ?
O5T Cs1 O134 139.1(5) . 1_455 ?
O10W Cs1 O134 113.2(10) 1_465 1_455 ?
O5T Cs1 O11T 92.6(6) . . ?
O10W Cs1 O11T 75.4(10) 1_465 . ?
O134 Cs1 O11T 78.1(6) 1_455 . ?
O5T Cs1 O9W 70.1(8) . . ?
O10W Cs1 O9W 55.4(11) 1_465 . ?
O134 Cs1 O9W 148.0(9) 1_455 . ?
O11T Cs1 O9W 120.3(9) . . ?
O5T Cs1 O78 79.8(6) . 1_455 ?
O10W Cs1 O78 145.1(10) 1_465 1_455 ?
O134 Cs1 O78 82.3(5) 1_455 1_455 ?
O11T Cs1 O78 139.6(5) . 1_455 ?
O9W Cs1 O78 94.5(8) . 1_455 ?
O5T Cs1 O713 125.1(6) . 1_455 ?
O10W Cs1 O713 121.8(10) 1_465 1_455 ?
O134 Cs1 O713 48.8(5) 1_455 1_455 ?
O11T Cs1 O713 126.9(5) . 1_455 ?
O9W Cs1 O713 108.1(9) . 1_455 ?
O78 Cs1 O713 45.4(5) 1_455 1_455 ?
O5T Cs1 O511 50.4(5) . . ?
O10W Cs1 O511 69.8(10) 1_465 . ?
O134 Cs1 O511 124.8(5) 1_455 . ?
O11T Cs1 O511 48.2(5) . . ?
O9W Cs1 O511 81.9(8) . . ?
O78 Cs1 O511 128.3(5) 1_455 . ?
O713 Cs1 O511 167.6(5) 1_455 . ?
O5T Cs1 O814 94.1(5) . 1_455 ?
O10W Cs1 O814 161.1(9) 1_465 1_455 ?
O134 Cs1 O814 48.3(5) 1_455 1_455 ?
O11T Cs1 O814 94.9(5) . 1_455 ?
O9W Cs1 O814 141.2(8) . 1_455 ?
O78 Cs1 O814 47.0(5) 1_455 1_455 ?
O713 Cs1 O814 51.8(5) 1_455 1_455 ?
O511 Cs1 O814 115.8(5) . 1_455 ?
O1T Cs2A O12W 73.4(10) 2_558 . ?
O1T Cs2A O6T 151.2(6) 2_558 . ?
O12W Cs2A O6T 98.8(10) . . ?
O1T Cs2A O6W 127.5(8) 2_558 . ?
O12W Cs2A O6W 142.0(12) . . ?
O6T Cs2A O6W 75.6(7) . . ?
O1T Cs2A O2T 74.6(6) 2_558 . ?
O12W Cs2A O2T 142.0(11) . . ?
O6T Cs2A O2T 99.4(6) . . ?
O6W Cs2A O2T 75.2(8) . . ?
O1T Cs2A O5W 73.4(7) 2_558 . ?
O12W Cs2A O5W 119.1(11) . . ?
O6T Cs2A O5W 131.6(7) . . ?
O6W Cs2A O5W 56.1(8) . . ?
O2T Cs2A O5W 69.4(6) . . ?
O1T Cs2A O10T 106.5(5) 2_558 1_565 ?
O12W Cs2A O10T 64.7(10) . 1_565 ?
O6T Cs2A O10T 94.3(5) . 1_565 ?
O6W Cs2A O10T 78.1(8) . 1_565 ?
O2T Cs2A O10T 145.7(6) . 1_565 ?
O5W Cs2A O10T 78.1(6) . 1_565 ?
O1T Cs2A O3W 71.4(6) 2_558 . ?
O12W Cs2A O3W 79.4(11) . . ?
O6T Cs2A O3W 80.0(6) . . ?
O6W Cs2A O3W 134.2(8) . . ?
O2T Cs2A O3W 71.4(6) . . ?
O5W Cs2A O3W 132.6(7) . . ?
O10T Cs2A O3W 142.4(7) 1_565 . ?
O1T Cs2A O26 111.2(5) 2_558 . ?
O12W Cs2A O26 127.0(10) . . ?
O6T Cs2A O26 51.1(5) . . ?
O6W Cs2A O26 79.0(7) . . ?
O2T Cs2A O26 50.4(5) . . ?
O5W Cs2A O26 112.2(6) . . ?
O10T Cs2A O26 142.4(5) 1_565 . ?
O3W Cs2A O26 55.6(6) . . ?
O6W Cs2B O5W 72.8(12) . . ?
O6W Cs2B O2T 89.7(11) . . ?
O5W Cs2B O2T 80.9(9) . . ?
O6W Cs2B O1T 148.7(12) . 2_558 ?
O5W Cs2B O1T 78.4(8) . 2_558 ?
O2T Cs2B O1T 73.6(7) . 2_558 ?
O6W Cs2B O6T 81.6(10) . . ?
O5W Cs2B O6T 154.4(11) . . ?
O2T Cs2B O6T 98.9(7) . . ?
O1T Cs2B O6T 126.3(9) 2_558 . ?
O6W Cs2B O10T 90.0(10) . 1_565 ?
O5W Cs2B O10T 88.8(8) . 1_565 ?
O2T Cs2B O10T 169.3(8) . 1_565 ?
O1T Cs2B O10T 101.7(7) 2_558 1_565 ?
O6T Cs2B O10T 91.6(6) . 1_565 ?
O6W Cs2B O26 86.6(10) . . ?
O5W Cs2B O26 127.5(9) . . ?
O2T Cs2B O26 50.6(6) . . ?
O1T Cs2B O26 101.7(7) 2_558 . ?
O6T Cs2B O26 48.5(5) . . ?
O10T Cs2B O26 140.0(7) 1_565 . ?
O6W Cs2B O12W 144.9(13) . . ?
O5W Cs2B O12W 118.4(11) . . ?
O2T Cs2B O12W 123.9(11) . . ?
O1T Cs2B O12W 61.8(10) 2_558 . ?
O6T Cs2B O12W 83.2(10) . . ?
O10T Cs2B O12W 59.0(9) 1_565 . ?
O26 Cs2B O12W 106.3(10) . . ?
O6W Cs2B O910 52.3(9) . 1_565 ?
O5W Cs2B O910 56.0(8) . 1_565 ?
O2T Cs2B O910 127.4(9) . 1_565 ?
O1T Cs2B O910 118.6(6) 2_558 1_565 ?
O6T Cs2B O910 107.9(6) . 1_565 ?
O10T Cs2B O910 46.1(6) 1_565 1_565 ?
O26 Cs2B O910 137.7(7) . 1_565 ?
O12W Cs2B O910 103.9(9) . 1_565 ?
O1W Cs3A O34 64.7(6) . . ?
O1W Cs3A O8T 57.9(6) . 2_648 ?
O34 Cs3A O8T 96.3(5) . 2_648 ?
O1W Cs3A O1T 141.9(7) . 2_548 ?
O34 Cs3A O1T 105.4(5) . 2_548 ?
O8T Cs3A O1T 155.9(5) 2_648 2_548 ?
O1W Cs3A O5W 119.3(7) . 1_545 ?
O34 Cs3A O5W 56.2(6) . 1_545 ?
O8T Cs3A O5W 114.6(7) 2_648 1_545 ?
O1T Cs3A O5W 71.2(7) 2_548 1_545 ?
O1W Cs3A O16W 134.7(11) . . ?
O34 Cs3A O16W 118.5(11) . . ?
O8T Cs3A O16W 77.4(10) 2_648 . ?
O1T Cs3A O16W 83.1(11) 2_548 . ?
O5W Cs3A O16W 71.2(11) 1_545 . ?
O1W Cs3A O5T 99.0(6) . 2_548 ?
O34 Cs3A O5T 159.9(5) . 2_548 ?
O8T Cs3A O5T 64.0(6) 2_648 2_548 ?
O1T Cs3A O5T 94.7(5) 2_548 2_548 ?
O5W Cs3A O5T 134.0(6) 1_545 2_548 ?
O16W Cs3A O5T 63.6(10) . 2_548 ?
O1W Cs3A O4T 77.1(6) . . ?
O34 Cs3A O4T 49.9(5) . . ?
O8T Cs3A O4T 133.4(5) 2_648 . ?
O1T Cs3A O4T 70.2(5) 2_548 . ?
O5W Cs3A O4T 75.9(6) 1_545 . ?
O16W Cs3A O4T 142.8(10) . . ?
O5T Cs3A O4T 141.5(6) 2_548 . ?
O1W Cs3A O15 122.5(6) . 2_548 ?
O34 Cs3A O15 150.4(6) . 2_548 ?
O8T Cs3A O15 111.7(5) 2_648 2_548 ?
O1T Cs3A O15 49.6(5) 2_548 2_548 ?
O5W Cs3A O15 115.6(6) 1_545 2_548 ?
O16W Cs3A O15 78.2(11) . 2_548 ?
O5T Cs3A O15 48.0(5) 2_548 2_548 ?
O4T Cs3A O15 101.6(5) . 2_548 ?
O1W Cs3A O4T 52.3(6) . 2_548 ?
O34 Cs3A O4T 87.1(5) . 2_548 ?
O8T Cs3A O4T 99.3(5) 2_648 2_548 ?
O1T Cs3A O4T 92.2(5) 2_548 2_548 ?
O5W Cs3A O4T 131.0(6) 1_545 2_548 ?
O16W Cs3A O4T 154.3(10) . 2_548 ?
O5T Cs3A O4T 91.9(5) 2_548 2_548 ?
O4T Cs3A O4T 55.1(6) . 2_548 ?
O15 Cs3A O4T 79.5(5) 2_548 2_548 ?
O1W Cs3A O14 96.8(6) . 2_548 ?
O34 Cs3A O14 109.8(5) . 2_548 ?
O8T Cs3A O14 131.2(5) 2_648 2_548 ?
O1T Cs3A O14 49.9(5) 2_548 2_548 ?
O5W Cs3A O14 114.2(6) 1_545 2_548 ?
O16W Cs3A O14 119.8(11) . 2_548 ?
O5T Cs3A O14 82.8(5) 2_548 2_548 ?
O4T Cs3A O14 60.1(5) . 2_548 ?
O15 Cs3A O14 44.0(5) 2_548 2_548 ?
O4T Cs3A O14 44.6(4) 2_548 2_548 ?
O1W Cs3A O45 78.9(6) . 2_548 ?
O34 Cs3A O45 132.1(5) . 2_548 ?
O8T Cs3A O45 89.0(5) 2_648 2_548 ?
O1T Cs3A O45 84.2(5) 2_548 2_548 ?
O5W Cs3A O45 155.2(7) 1_545 2_548 ?
O16W Cs3A O45 109.1(10) . 2_548 ?
O5T Cs3A O45 48.6(5) 2_548 2_548 ?
O4T Cs3A O45 93.7(5) . 2_548 ?
O15 Cs3A O45 43.6(5) 2_548 2_548 ?
O4T Cs3A O45 45.2(5) 2_548 2_548 ?
O14 Cs3A O45 43.0(5) 2_548 2_548 ?
O5W Cs3B O8T 130.0(10) 1_545 2_648 ?
O5W Cs3B O1T 78.1(9) 1_545 2_548 ?
O8T Cs3B O1T 150.4(9) 2_648 2_548 ?
O5W Cs3B O34 58.4(7) 1_545 . ?
O8T Cs3B O34 90.4(7) 2_648 . ?
O1T Cs3B O34 100.1(7) 2_548 . ?
O5W Cs3B O5T 161.9(10) 1_545 2_548 ?
O8T Cs3B O5T 62.3(6) 2_648 2_548 ?
O1T Cs3B O5T 93.2(7) 2_548 2_548 ?
O34 Cs3B O5T 139.5(8) . 2_548 ?
O5W Cs3B O12D 53.4(9) 1_545 2_648 ?
O8T Cs3B O12D 86.5(8) 2_648 2_648 ?
O1T Cs3B O12D 122.2(8) 2_548 2_648 ?
O34 Cs3B O12D 81.2(7) . 2_648 ?
O5T Cs3B O12D 122.7(9) 2_548 2_648 ?
O5W Cs3B O1W 113.2(9) 1_545 . ?
O8T Cs3B O1W 50.2(6) 2_648 . ?
O1T Cs3B O1W 115.5(9) 2_548 . ?
O34 Cs3B O1W 54.9(6) . . ?
O5T Cs3B O1W 84.9(7) 2_548 . ?
O12D Cs3B O1W 111.7(8) 2_648 . ?
O5W Cs3B O15 124.9(9) 1_545 2_548 ?
O8T Cs3B O15 105.1(7) 2_648 2_548 ?
O1T Cs3B O15 47.7(6) 2_548 2_548 ?
O34 Cs3B O15 130.0(9) . 2_548 ?
O5T Cs3B O15 45.8(6) 2_548 2_548 ?
O12D Cs3B O15 145.4(8) 2_648 2_548 ?
O1W Cs3B O15 100.3(8) . 2_548 ?
O16W Cs4 O11W 65.6(17) 2_648 . ?
Cs4 Cs4 O11W 133.1(9) 2_658 . ?
O16W Cs4 O27 117.0(15) 2_648 . ?
Cs4 Cs4 O27 102.9(6) 2_658 . ?
O11W Cs4 O27 119.7(9) . . ?
O16W Cs4 O12D 64.2(16) 2_648 . ?
Cs4 Cs4 O12D 66.8(6) 2_658 . ?
O11W Cs4 O12D 129.5(10) . . ?
O27 Cs4 O12D 87.3(6) . . ?
O16W Cs4 O2D1 90.1(15) 2_648 2_658 ?
Cs4 Cs4 O2D1 67.8(5) 2_658 2_658 ?
O11W Cs4 O2D1 65.4(8) . 2_658 ?
O27 Cs4 O2D1 152.5(6) . 2_658 ?
O12D Cs4 O2D1 110.4(6) . 2_658 ?
O16W Cs4 O12D 138.5(15) 2_648 2_658 ?
Cs4 Cs4 O12D 64.1(6) 2_658 2_658 ?
O11W Cs4 O12D 86.4(9) . 2_658 ?
O27 Cs4 O12D 103.2(6) . 2_658 ?
O12D Cs4 O12D 131.0(5) . 2_658 ?
O2D1 Cs4 O12D 49.3(6) 2_658 2_658 ?
O16W Cs4 O2D1 108.2(15) 2_648 . ?
Cs4 Cs4 O2D1 64.4(5) 2_658 . ?
O11W Cs4 O2D1 162.4(8) . . ?
O27 Cs4 O2D1 46.7(5) . . ?
O12D Cs4 O2D1 49.1(6) . . ?
O2D1 Cs4 O2D1 132.2(4) 2_658 . ?
O12D Cs4 O2D1 106.7(7) 2_658 . ?
O16W Cs4 O2T 50.2(14) 2_648 2_658 ?
Cs4 Cs4 O2T 74.7(5) 2_658 2_658 ?
O11W Cs4 O2T 71.2(9) . 2_658 ?
O27 Cs4 O2T 160.6(6) . 2_658 ?
O12D Cs4 O2T 73.9(6) . 2_658 ?
O2D1 Cs4 O2T 45.0(5) 2_658 2_658 ?
O12D Cs4 O2T 93.1(6) 2_658 2_658 ?
O2D1 Cs4 O2T 118.6(6) . 2_658 ?
O16W Cs4 O78 76.9(14) 2_648 . ?
Cs4 Cs4 O78 138.8(6) 2_658 . ?
O11W Cs4 O78 88.0(8) . . ?
O27 Cs4 O78 43.9(5) . . ?
O12D Cs4 O78 85.0(6) . . ?
O2D1 Cs4 O78 153.3(6) 2_658 . ?
O12D Cs4 O78 134.7(6) 2_658 . ?
O2D1 Cs4 O78 74.5(5) . . ?
O2T Cs4 O78 127.0(6) 2_658 . ?
O10W K1 O15W 45.0(18) . . ?
O10W K1 O21D 86.3(15) . . ?
O15W K1 O21D 104.7(17) . . ?
O10W K1 O13T 123.3(17) . 1_545 ?
O15W K1 O13T 128.4(17) . 1_545 ?
O21D K1 O13T 126.1(14) . 1_545 ?
O10W K1 O16T 119.6(18) . 2_647 ?
O15W K1 O16T 74.6(16) . 2_647 ?
O21D K1 O16T 111.4(12) . 2_647 ?
O13T K1 O16T 92.5(11) 1_545 2_647 ?
Cs3A O5W Cs2A 101.9(8) 1_565 . ?
K1 O10W Cs1 85.6(17) . 1_645 ?
Cs4 O16W Cs3A 154(2) 2_648 . ?

_refine_diff_density_max         4.717
_refine_diff_density_min         -5.408
_refine_diff_density_rms         0.720



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_y_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2019293'
loop_
_audit_author_name
_audit_author_address
'Natalya Izarova'
;Institute of Inorganic Chemistry, RWTH Aachen University
Germany
;
_audit_update_record             
;
2020-11-02 deposited with the CCDC.	2020-11-04 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT201_y_a_sq              
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......         87 Report
RESPONSE: Only heavy atoms (W, Y, P, Cs and K) were refined anisotropically
which is a common practice in polyoxotungstates crystallography.
;
_vrf_PLAT973_y_a_sq              
;
PROBLEM: Check Calcd Positive Resid. Density on       W14       2.64 eA-3  
RESPONSE: The hole in the electron density can be attributed to inaccuracies 
in absorption correction. Nevertheless, chemical sense does not allow to 
place any other element in this position.
;
_vrf_PLAT342_y_a_sq              
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............       0.03 Ang.  
RESPONSE: The issue with the low C-C bond precision most likely arises 
from the rotational disorder in the phenyl rings. 
;
_vrf_PLAT430_y_a_sq              
;
PROBLEM: Short Inter D...A Contact  O5W      ..O5W      .       2.84 Ang.  
RESPONSE: This relatively short distance between O atoms indicates formation 
of a hydrogen bonds between two water molecules. We refrained from locating 
positions of H atoms for water molecules as it could not be trustworthy done
in the presence of heavy elements, such as W and Cs.
;
_vrf_PLAT910_y_a_sq              
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note  
RESPONSE: Missing reflections are in diffractometer restricted areas
like beamstop. Nevertheless, the total amount of collected reflections 
well exceeds that required for statistically relevant refinement to assure 
true results.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H128 Cs7.50 K0.50 O178 P8 W32 Y4'
_chemical_formula_weight         10768.23

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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.902(3)
_cell_length_b                   14.649(3)
_cell_length_c                   24.956(5)
_cell_angle_alpha                73.56(3)
_cell_angle_beta                 86.69(3)
_cell_angle_gamma                79.61(3)
_cell_volume                     4449.3(17)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5323
_cell_measurement_theta_min      1.60
_cell_measurement_theta_max      24.95

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    4.019
_exptl_crystal_F_000             4762
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    23.592
_shelx_estimated_absorpt_T_min   0.088
_shelx_estimated_absorpt_T_max   0.538
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.0898
_exptl_absorpt_correction_T_max  0.4149
_exptl_absorpt_process_details   
;
STOE X-Red32, absorption correction by Gaussian integration.
Afterwards scaling of reflection intensities was performed 
within STOE LANA.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Genix Mo'
_diffrn_measurement_device_type  'STOE STADIVARI'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            90921
_diffrn_reflns_av_unetI/netI     0.1250
_diffrn_reflns_av_R_equivalents  0.1635
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.317
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             15715
_reflns_number_gt                8347
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
   
   All heavy atoms (W, Y, Cs and K) were refined in full-
matrix anisotropic approximation. ISOR restrictions had to be 
applied for some disordered Cs and K positions. 

 Hydrogen atoms of water molecules were not located. Hydrogen atoms
of the phenyl rings were placed in geometrically calculated positions.

 One of the two phenyl rings in the asymmetric unit (half of the 
molecule) exhibits rotational disorder. One of the possible positions 
for this phenyl ring has been located with s. o. f. of about 0.57, 
while the other orientations could not be found from the electron 
density map. 

 The relative s. o. f. for the disordered positions of O atoms of water 
molecules (from the co-crystallized solvent and those coordinated to Y2), 
cesium and potassium counterions were either refined using a combination 
of PART / EADP commands or first refined in an isotropic approximation 
with Uiso = 0.05 and then fixed at the obtained values and refined without 
restrictions of the thermal parameters. 

 Due to severe disorder we were not able to locate part of solvent H2O 
molecules and even some Cs+ positions (only 7.0 instead of expected 7.5 
Cs+ counterions were found), which is a typical problem in the 
polyoxotungstate crystallography. After we assign all electron density 
peaks we could we a SQUEEZE procedure was applied to to treat diffused 
electron density in the voids.

The final formula used in the cif file and in the manusctript was
that determined by a combination of single crystal X-Ray (polyanion
part), elemental and thermogravimetrical (exact number of cations 
and solvent molecules) analyses. 

The relatively high residual electron density peaks in the structure 
(3.1 -- 3.7 eÅ--3) are located in the proximity of the W centers and 
should correspond to some residual absorption artefacts. 

Rather high Rint factor (0.16) reflects possible twinning issues (as 
the crystals are thin plates).

Final results were tested with CHECKCIF routine and all A and B-warnings 
were addressed on the very top of this file.
;

_computing_data_collection       
;
X-Area Pilatus3_SV 1.31.131.0 (STOE, 2017)
;
_computing_cell_refinement       
;
X-Area Recipe 1.33.0.0 (STOE, 2015)
;
_computing_data_reduction        
;
X-Area Integrate 1.71.0.0 (STOE, 2016)
X-Area X-Red32 1.63.2.0 (STOE, 2017) 
;
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond Version 3.2k'
_computing_publication_material  'Diamond Version 3.2k'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1093P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15715
_refine_ls_number_parameters     655
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1434
_refine_ls_R_factor_gt           0.0815
_refine_ls_wR_factor_ref         0.2201
_refine_ls_wR_factor_gt          0.1959
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y -0.6053(3) -0.8027(2) 0.52768(11) 0.0388(8) Uani 1 1 d . . . . .
Y2 Y -0.3441(3) -1.0770(2) 0.08702(12) 0.0533(11) Uani 1 1 d . . . . .
W1 W -0.75362(12) -0.56501(9) 0.43772(5) 0.0393(4) Uani 1 1 d . . . . .
W2 W -0.89318(12) -0.74087(9) 0.48498(5) 0.0397(4) Uani 1 1 d . . . . .
W3 W -0.47380(12) -0.77730(9) 0.37624(5) 0.0349(3) Uani 1 1 d . . . . .
W4 W -0.59373(12) -0.55494(9) 0.30729(5) 0.0361(3) Uani 1 1 d . . . . .
W5 W -0.87862(12) -0.50449(9) 0.29634(5) 0.0388(4) Uani 1 1 d . . . . .
W6 W -1.01902(12) -0.68058(10) 0.34383(5) 0.0410(4) Uani 1 1 d . . . . .
W7 W -0.88567(12) -0.92505(9) 0.40691(5) 0.0383(4) Uani 1 1 d . . . . .
W8 W -0.62483(12) -0.96715(9) 0.42610(5) 0.0343(3) Uani 1 1 d . . . . .
W9 W -0.43881(12) -0.83038(9) 0.23230(5) 0.0345(3) Uani 1 1 d . . . . .
W10 W -0.55933(12) -0.60786(8) 0.16801(5) 0.0342(3) Uani 1 1 d . . . . .
W11 W -0.84851(12) -0.55776(9) 0.15612(5) 0.0371(3) Uani 1 1 d . . . . .
W12 W -0.98933(12) -0.73416(10) 0.20366(5) 0.0408(4) Uani 1 1 d . . . . .
W13 W -0.85440(13) -0.98442(9) 0.26921(5) 0.0397(4) Uani 1 1 d . . . . .
W14 W -0.59404(12) -1.02886(9) 0.28396(5) 0.0374(4) Uani 1 1 d . . . . .
W15 W -0.68368(12) -0.69975(9) 0.07037(5) 0.0389(4) Uani 1 1 d . . . . .
W16 W -0.82584(13) -0.87594(10) 0.11820(5) 0.0449(4) Uani 1 1 d . . . . .
P1 P -0.7455(7) -0.7330(5) 0.3632(3) 0.0303(19) Uani 1 1 d . . . . .
P2 P -0.7117(7) -0.7943(5) 0.2101(3) 0.031(2) Uani 1 1 d . . . . .
P3 P -0.4467(8) -0.8318(6) 0.0931(3) 0.043(2) Uani 1 1 d . . . . .
P4 P -0.6123(9) -1.0480(6) 0.1465(3) 0.045(3) Uani 1 1 d . . . . .
C31 C -0.3738(17) -0.7301(14) 0.0652(8) 0.037(7) Uiso 1 1 d G . . . .
C32 C -0.2847(19) -0.7234(14) 0.0916(7) 0.051(9) Uiso 1 1 d G . . . .
H32A H -0.264007 -0.767882 0.126676 0.062 Uiso 1 1 calc R U . A 1
C33 C -0.2259(16) -0.6515(17) 0.0668(9) 0.075(12) Uiso 1 1 d G . . . .
H33A H -0.165050 -0.646851 0.084939 0.089 Uiso 1 1 calc R U . . .
C34 C -0.256(2) -0.5863(15) 0.0156(9) 0.067(11) Uiso 1 1 d G . . . .
H34A H -0.216031 -0.537175 -0.001362 0.080 Uiso 1 1 calc R U . . .
C35 C -0.345(2) -0.5931(15) -0.0109(7) 0.067(11) Uiso 1 1 d G . . . .
H35A H -0.365970 -0.548530 -0.045928 0.081 Uiso 1 1 calc R U . . .
C36 C -0.4041(17) -0.6650(17) 0.0139(9) 0.073(12) Uiso 1 1 d G . . . .
H36A H -0.464928 -0.669560 -0.004192 0.088 Uiso 1 1 calc R U . . .
C41 C -0.675(2) -1.1536(16) 0.1597(10) 0.045(8) Uiso 1 1 d G . . B 1
C43 C -0.6084(18) -1.237(2) 0.1560(13) 0.058(17) Uiso 0.574(8) 1 d G . P B 1
H43A H -0.535224 -1.237033 0.149452 0.070 Uiso 0.574(8) 1 calc R U P B 1
C42 C -0.649(2) -1.3216(17) 0.1619(13) 0.08(2) Uiso 0.574(8) 1 d G . P B 1
H42A H -0.602908 -1.378816 0.159375 0.095 Uiso 0.574(8) 1 calc R U P B 1
C44 C -0.756(2) -1.3221(15) 0.1715(9) 0.046(8) Uiso 1 1 d G . . B 1
H44A H -0.783248 -1.379631 0.175559 0.055 Uiso 0.574(8) 1 calc R U P B 1
C45 C -0.8227(18) -1.2383(19) 0.1753(11) 0.023(10) Uiso 0.574(8) 1 d G . P B 1
H45A H -0.895905 -1.238663 0.181821 0.027 Uiso 0.574(8) 1 calc R U P B 1
C46 C -0.782(2) -1.1541(15) 0.1694(12) 0.063(18) Uiso 0.574(8) 1 d G . P B 1
H46A H -0.828222 -1.096879 0.171898 0.076 Uiso 0.574(8) 1 calc R U P B 1
Cs4 Cs -0.1103(9) -0.9529(7) 0.1737(4) 0.054(2) Uani 0.230(3) 1 d . U P B 1
Cs4A Cs -0.9593(12) -1.1368(10) 0.1691(5) 0.054(2) Uani 0.170(3) 1 d . U P B 2
Cs7 Cs -0.431(2) -1.2889(17) 0.2529(9) 0.044(6) Uani 0.0851(16) 1 d . U P B 2
O11Y O -0.4627(19) -0.7306(15) 0.5438(8) 0.051(6) Uiso 1 1 d . . . . .
O12Y O -0.6445(18) -0.9397(14) 0.5989(8) 0.044(5) Uiso 1 1 d . . . . .
O13Y O -0.648(2) -0.7547(15) 0.6113(8) 0.054(6) Uiso 1 1 d . . . . .
O21Y O -0.3383(19) -1.2351(15) 0.1476(8) 0.051(6) Uiso 1 1 d . . . . .
O22Y O -0.345(2) -1.0657(17) 0.1825(9) 0.067(7) Uiso 1 1 d . . . . .
O23Y O -0.229(2) -1.1933(16) 0.0479(9) 0.059(6) Uiso 1 1 d . . . . .
O24Y O -0.181(3) -1.050(3) 0.1010(13) 0.047(8) Uiso 0.69(4) 1 d . . P B 1
O24L O -0.145(6) -1.115(5) 0.122(3) 0.047(8) Uiso 0.31(4) 1 d . . P B 2
O25Y O -0.453(3) -1.123(2) 0.0269(11) 0.042(7) Uiso 0.69(3) 1 d . . P B 1
O26Y O -0.319(3) -0.984(2) -0.0053(11) 0.043(9) Uiso 0.69(3) 1 d . . P B 1
O25L O -0.399(6) -1.069(5) 0.001(3) 0.042(7) Uiso 0.31(3) 1 d . . P B 1
O1T O -0.7697(19) -0.4529(15) 0.4509(8) 0.048(6) Uiso 1 1 d . . . . .
O2T O -0.9982(18) -0.7503(14) 0.5289(8) 0.042(5) Uiso 1 1 d . . . . .
O3T O -0.344(2) -0.8152(15) 0.3910(8) 0.052(6) Uiso 1 1 d . . . . .
O4T O -0.5422(17) -0.4549(13) 0.2929(7) 0.035(5) Uiso 1 1 d . . . . .
O5T O -0.9276(17) -0.3850(13) 0.2729(7) 0.038(5) Uiso 1 1 d . . . . .
O6T O -1.1479(19) -0.6725(14) 0.3509(8) 0.045(5) Uiso 1 1 d . . . . .
O7T O -0.9696(18) -0.9973(14) 0.4390(8) 0.040(5) Uiso 1 1 d . . . . .
O8T O -0.5482(17) -1.0730(13) 0.4573(7) 0.036(5) Uiso 1 1 d . . . . .
O9T O -0.3134(19) -0.8768(15) 0.2339(8) 0.048(6) Uiso 1 1 d . . . . .
O10T O -0.5047(18) -0.5145(14) 0.1302(7) 0.040(5) Uiso 1 1 d . . . . .
O1P1 O -0.7619(18) -0.7095(14) 0.4192(8) 0.044(5) Uiso 1 1 d . . . . .
O1Y1 O -0.6697(17) -0.6359(13) 0.4905(7) 0.038(5) Uiso 1 1 d . . . . .
O11T O -0.8864(17) -0.4496(14) 0.1103(7) 0.039(5) Uiso 1 1 d . . . . .
O1P2 O -0.6113(17) -0.7578(13) 0.2165(7) 0.036(5) Uiso 1 1 d . . . . .
O12T O -1.1123(18) -0.7367(14) 0.1883(7) 0.040(5) Uiso 1 1 d . . . . .
O12 O -0.880(2) -0.6063(16) 0.4768(8) 0.056(6) Uiso 1 1 d . . . . .
O13T O -0.9381(18) -1.0645(14) 0.2755(8) 0.041(5) Uiso 1 1 d . . . . .
O1P3 O -0.4606(19) -0.8529(15) 0.1565(8) 0.049(6) Uiso 1 1 d . . . . .
O14 O -0.6504(17) -0.5523(13) 0.3795(7) 0.034(5) Uiso 1 1 d . . . . .
O1P4 O -0.5944(17) -1.0223(14) 0.2014(7) 0.040(5) Uiso 1 1 d . . . . .
O14T O -0.5137(18) -1.1341(14) 0.3015(7) 0.041(5) Uiso 1 1 d . . . . .
O15T O -0.6770(17) -0.6344(14) 0.0038(7) 0.039(5) Uiso 1 1 d . . . . .
O15 O -0.855(2) -0.5178(16) 0.3700(8) 0.054(6) Uiso 1 1 d . . . . .
O16T O -0.896(2) -0.9203(16) 0.0810(9) 0.060(7) Uiso 1 1 d . . . . .
O2P1 O -0.6420(16) -0.7060(12) 0.3374(7) 0.030(4) Uiso 1 1 d . . . . .
O2Y1 O -0.7875(17) -0.7874(13) 0.5314(7) 0.039(5) Uiso 1 1 d . . . . .
O2P2 O -0.8117(18) -0.7200(14) 0.2120(8) 0.043(5) Uiso 1 1 d . . . . .
O2P3 O -0.5546(18) -0.8030(14) 0.0669(8) 0.039(5) Uiso 1 1 d . . . . .
O2P4 O -0.6890(18) -0.9683(14) 0.1085(8) 0.040(5) Uiso 1 1 d . . . . .
O26 O -0.9873(18) -0.6829(14) 0.4128(8) 0.045(5) Uiso 1 1 d . . . . .
O27 O -0.8897(18) -0.8526(14) 0.4599(8) 0.045(5) Uiso 1 1 d . . . . .
O3P1 O -0.8393(17) -0.6745(13) 0.3260(7) 0.033(5) Uiso 1 1 d . . . . .
O3Y1 O -0.5266(16) -0.7632(13) 0.4392(7) 0.032(5) Uiso 1 1 d . . . . .
O3P2 O -0.7188(16) -0.8882(13) 0.2529(7) 0.033(5) Uiso 1 1 d . . . . .
O3P3 O -0.3869(19) -0.9152(15) 0.0755(8) 0.045(5) Uiso 1 1 d . . . . .
O34 O -0.4735(18) -0.6446(14) 0.3408(7) 0.040(5) Uiso 1 1 d . . . . .
O3P4 O -0.5174(19) -1.0601(15) 0.1143(8) 0.049(6) Uiso 1 1 d . . . . .
O38 O -0.5282(18) -0.8946(14) 0.3855(8) 0.044(5) Uiso 1 1 d . . . . .
O39 O -0.4506(18) -0.7924(14) 0.2931(7) 0.040(5) Uiso 1 1 d . . . . .
O4P1 O -0.7481(17) -0.8398(13) 0.3745(7) 0.037(5) Uiso 1 1 d . . . . .
O4P2 O -0.7046(17) -0.8117(13) 0.1509(7) 0.037(5) Uiso 1 1 d . . . . .
O45 O -0.7332(18) -0.5151(14) 0.2799(7) 0.041(5) Uiso 1 1 d . . . . .
O56 O -1.0107(18) -0.5449(14) 0.3099(8) 0.043(5) Uiso 1 1 d . . . . .
O67 O -0.9680(18) -0.8164(14) 0.3630(8) 0.044(5) Uiso 1 1 d . . . . .
O78 O -0.7624(18) -1.0093(14) 0.4363(8) 0.045(5) Uiso 1 1 d . . . . .
O8Y1 O -0.6378(18) -0.9094(14) 0.4782(7) 0.039(5) Uiso 1 1 d . . . . .
O101 O -0.7034(18) -0.5575(14) 0.1660(8) 0.040(5) Uiso 1 1 d . . . . .
O105 O -0.5898(18) -0.6568(14) 0.1075(8) 0.043(5) Uiso 1 1 d . . . . .
O112 O -0.9675(19) -0.6125(15) 0.1536(8) 0.047(6) Uiso 1 1 d . . . . .
O115 O -0.7872(18) -0.6278(14) 0.0974(8) 0.042(5) Uiso 1 1 d . . . . .
O123 O -0.946(2) -0.8607(15) 0.2472(8) 0.052(6) Uiso 1 1 d . . . . .
O126 O -0.9210(18) -0.7894(14) 0.1409(8) 0.041(5) Uiso 1 1 d . . . . .
O134 O -0.7266(19) -1.0707(15) 0.2831(8) 0.048(6) Uiso 1 1 d . . . . .
O136 O -0.8316(18) -0.9608(14) 0.1897(8) 0.043(5) Uiso 1 1 d . . . . .
O156 O -0.772(2) -0.7860(16) 0.0560(9) 0.058(6) Uiso 1 1 d . . . . .
O410 O -0.557(2) -0.5886(15) 0.2410(8) 0.053(6) Uiso 1 1 d . . . . .
O511 O -0.8861(19) -0.5317(14) 0.2223(8) 0.046(6) Uiso 1 1 d . . . . .
O612 O -1.0115(17) -0.6882(14) 0.2622(7) 0.039(5) Uiso 1 1 d . . . . .
O713 O -0.8598(19) -0.9726(15) 0.3428(8) 0.047(6) Uiso 1 1 d . . . . .
O814 O -0.6206(17) -1.0093(13) 0.3488(7) 0.038(5) Uiso 1 1 d . . . . .
O910 O -0.4364(17) -0.7020(13) 0.1869(7) 0.037(5) Uiso 1 1 d . . . . .
O914 O -0.5018(18) -0.9443(14) 0.2604(8) 0.044(5) Uiso 1 1 d . . . . .
Cs1 Cs -0.9219(3) -0.28143(18) 0.36313(9) 0.0575(9) Uani 0.877(4) 1 d . . P C 1
Cs1A Cs -0.9388(18) -0.5502(13) 0.5735(7) 0.0575(9) Uani 0.123(4) 1 d . . P C 2
Cs2 Cs -0.2868(2) -0.6191(2) 0.24846(11) 0.0506(7) Uani 0.8 1 d . . P C .
Cs3 Cs -1.1720(4) -0.8231(4) 0.47159(14) 0.0590(11) Uani 0.791(10) 1 d . U P C
1
Cs3A Cs -1.2144(16) -0.7841(13) 0.4779(6) 0.0590(11) Uani 0.209(10) 1 d . U P C
2
Cs5 Cs -0.9569(17) -0.2536(14) 0.0178(7) 0.037(5) Uani 0.1 1 d . . P . .
Cs6 Cs -0.458(2) -0.5068(17) 0.4462(9) 0.057(6) Uani 0.1 1 d . U P C .
K1 K -0.336(3) -1.404(2) 0.1201(11) 0.044(7) Uani 0.25 1 d . U P B .
O1W O -0.266(2) -0.8074(18) 0.5928(10) 0.047(7) Uiso 0.8 1 d . . P . .
O2W O -1.157(3) -0.866(3) 0.3112(13) 0.040(9) Uiso 0.6 1 d . . P . .
O3W O -1.188(3) -0.986(2) 0.4341(13) 0.054(9) Uiso 0.65 1 d . . P . .
O4W O -0.702(3) -1.283(2) 0.3139(13) 0.050(9) Uiso 0.65 1 d . . P . .
O5W O -0.973(3) -0.602(2) 0.0199(13) 0.059(9) Uiso 0.7 1 d . . P . .
O6W O -1.133(3) -0.463(3) 0.0858(14) 0.053(10) Uiso 0.6 1 d . . P . .
O7W O -1.142(4) -0.163(3) 0.3476(16) 0.048(11) Uiso 0.5 1 d . . P . .
O8W O -0.748(3) -0.572(2) 0.6164(13) 0.045(9) Uiso 0.6 1 d . . P . .
O9W O -1.089(4) -0.301(3) 0.2039(17) 0.054(12) Uiso 0.5 1 d . . P . .
O10W O -0.226(3) -0.816(3) -0.0286(15) 0.058(11) Uiso 0.6 1 d . . P . .
O11W O -0.249(4) -1.433(3) 0.2822(16) 0.045(11) Uiso 0.5 1 d . . P . .
O12W O -0.003(5) -1.069(4) 0.049(2) 0.051(15) Uiso 0.4 1 d . . P . .
O13W O -1.262(5) -0.615(4) 0.460(2) 0.057(16) Uiso 0.4 1 d . . P . .
O14W O -1.144(4) -0.925(4) 0.3178(18) 0.033(12) Uiso 0.4 1 d . . P . .


_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
Y1 O2Y1 2.32(2) . ?
Y1 O3Y1 2.339(18) . ?
Y1 O8Y1 2.353(18) . ?
Y1 O1Y1 2.366(19) . ?
Y1 O12Y 2.38(2) . ?
Y1 O11Y 2.38(2) . ?
Y1 O13Y 2.39(2) . ?
Y1 O8T 2.40(2) 2_436 ?
Y2 O25L 2.26(6) . ?
Y2 O24Y 2.27(3) . ?
Y2 O3P3 2.27(2) . ?
Y2 O3P4 2.29(2) . ?
Y2 O26Y 2.36(3) . ?
Y2 O21Y 2.37(2) . ?
Y2 O25Y 2.41(3) . ?
Y2 O22Y 2.43(2) . ?
Y2 O23Y 2.43(2) . ?
Y2 O24L 2.67(8) . ?
W1 O1Y1 1.72(2) . ?
W1 O1T 1.74(2) . ?
W1 O14 1.905(19) . ?
W1 O12 1.95(2) . ?
W1 O15 2.08(2) . ?
W1 O1P1 2.313(19) . ?
W2 O2T 1.69(2) . ?
W2 O2Y1 1.75(2) . ?
W2 O27 1.904(19) . ?
W2 O12 1.96(2) . ?
W2 O26 2.11(2) . ?
W2 O1P1 2.30(2) . ?
W3 O3T 1.69(2) . ?
W3 O3Y1 1.728(17) . ?
W3 O34 1.895(19) . ?
W3 O38 1.92(2) . ?
W3 O39 2.147(18) . ?
W3 O2P1 2.36(2) . ?
W4 O4T 1.657(18) . ?
W4 O410 1.87(2) . ?
W4 O45 1.89(2) . ?
W4 O34 1.90(2) . ?
W4 O14 1.915(18) . ?
W4 O2P1 2.314(17) . ?
W5 O5T 1.694(19) . ?
W5 O15 1.83(2) . ?
W5 O45 1.89(2) . ?
W5 O56 1.89(2) . ?
W5 O511 2.009(19) . ?
W5 O3P1 2.356(18) . ?
W6 O6T 1.65(2) . ?
W6 O26 1.783(18) . ?
W6 O67 1.91(2) . ?
W6 O56 1.947(19) . ?
W6 O612 2.067(17) . ?
W6 O3P1 2.35(2) . ?
W7 O7T 1.66(2) . ?
W7 O67 1.84(2) . ?
W7 O78 1.87(2) . ?
W7 O27 1.909(19) . ?
W7 O713 1.909(19) . ?
W7 O4P1 2.33(2) . ?
W8 O8T 1.685(19) . ?
W8 O8Y1 1.726(18) . ?
W8 O38 1.85(2) . ?
W8 O78 1.96(2) . ?
W8 O814 2.180(17) . ?
W8 O4P1 2.34(2) . ?
W9 O9T 1.64(2) . ?
W9 O39 1.748(18) . ?
W9 O910 1.906(18) . ?
W9 O914 1.92(2) . ?
W9 O1P3 2.052(19) . ?
W9 O1P2 2.29(2) . ?
W10 O10T 1.673(19) . ?
W10 O101 1.87(2) . ?
W10 O910 1.89(2) . ?
W10 O410 1.92(2) . ?
W10 O105 1.931(18) . ?
W10 O1P2 2.382(18) . ?
W11 O11T 1.678(19) . ?
W11 O511 1.818(19) . ?
W11 O112 1.87(2) . ?
W11 O101 1.90(2) . ?
W11 O115 2.063(19) . ?
W11 O2P2 2.37(2) . ?
W12 O12T 1.66(2) . ?
W12 O612 1.763(18) . ?
W12 O123 1.87(2) . ?
W12 O112 1.92(2) . ?
W12 O126 2.046(19) . ?
W12 O2P2 2.36(2) . ?
W13 O13T 1.70(2) . ?
W13 O134 1.87(2) . ?
W13 O713 1.888(19) . ?
W13 O136 1.929(18) . ?
W13 O123 1.93(2) . ?
W13 O3P2 2.387(19) . ?
W14 O14T 1.65(2) . ?
W14 O814 1.727(18) . ?
W14 O914 1.83(2) . ?
W14 O134 1.92(2) . ?
W14 O1P4 2.035(18) . ?
W14 O3P2 2.34(2) . ?
W15 O15T 1.672(18) . ?
W15 O115 1.77(2) . ?
W15 O105 1.86(2) . ?
W15 O156 1.96(2) . ?
W15 O2P3 2.05(2) . ?
W15 O4P2 2.243(18) . ?
W16 O16T 1.66(2) . ?
W16 O126 1.79(2) . ?
W16 O136 1.871(19) . ?
W16 O156 1.92(2) . ?
W16 O2P4 2.07(2) . ?
W16 O4P2 2.261(19) . ?
P1 O4P1 1.516(19) . ?
P1 O2P1 1.52(2) . ?
P1 O1P1 1.524(19) . ?
P1 O3P1 1.54(2) . ?
P2 O3P2 1.498(18) . ?
P2 O1P2 1.52(2) . ?
P2 O2P2 1.54(2) . ?
P2 O4P2 1.563(18) . ?
P3 O3P3 1.48(2) . ?
P3 O2P3 1.51(2) . ?
P3 O1P3 1.53(2) . ?
P3 C31 1.853(18) . ?
P4 O3P4 1.44(2) . ?
P4 O2P4 1.52(2) . ?
P4 O1P4 1.558(19) . ?
P4 C41 1.82(2) . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C41 C43 1.3900 . ?
C41 C46 1.3900 . ?
C43 C42 1.3900 . ?
C42 C44 1.3900 . ?
C44 C45 1.3900 . ?
C45 C46 1.3900 . ?
Cs4 O24Y 2.88(3) . ?
Cs4 O9T 3.13(3) . ?
Cs4 O12T 3.28(2) 1_655 ?
Cs4 O13T 3.33(2) 1_655 ?
Cs4 O16T 3.51(3) 1_655 ?
Cs4 O123 3.54(2) 1_655 ?
Cs4 O136 3.62(2) 1_655 ?
Cs4 O126 3.63(2) 1_655 ?
Cs4 O22Y 3.67(3) . ?
Cs4 O14W 3.73(4) 1_655 ?
Cs4A O24L 2.66(8) 1_455 ?
Cs4A O12W 2.94(5) 1_455 ?
Cs4A O9W 3.07(5) 1_545 ?
Cs4A O13T 3.17(2) . ?
Cs4A O136 3.46(2) . ?
Cs4A O16T 3.51(3) . ?
Cs4A O5T 3.79(2) 1_545 ?
Cs7 O21Y 2.78(3) . ?
Cs7 O11W 2.83(5) . ?
Cs7 O14T 2.88(3) . ?
Cs7 O4T 2.95(3) 1_545 ?
Cs7 O22Y 3.58(3) . ?
Cs7 O4W 3.73(5) . ?
O11Y Cs6 3.50(3) . ?
O11Y Cs6 3.52(3) 2_446 ?
O11Y Cs3A 3.58(3) 1_655 ?
O21Y K1 2.74(3) . ?
O23Y Cs5 3.55(3) 1_645 ?
O25Y O25L 1.16(7) . ?
O26Y O25L 1.73(7) . ?
O1T Cs1 3.25(2) . ?
O1T Cs1A 3.75(3) . ?
O2T Cs1 2.959(19) 2_346 ?
O2T Cs3 3.21(2) . ?
O2T Cs3A 3.30(3) . ?
O2T Cs1A 3.63(2) . ?
O3T Cs3A 2.99(2) 1_655 ?
O3T Cs3 3.04(2) 1_655 ?
O5T Cs1 3.062(18) . ?
O6T Cs2 3.04(2) 1_455 ?
O6T Cs3 3.23(2) . ?
O6T Cs3A 3.27(2) . ?
O7T Cs3 3.26(2) 2_336 ?
O7T Cs3 3.54(2) . ?
O7T Cs3A 3.78(3) 2_336 ?
O10T K1 2.90(4) 1_565 ?
O1Y1 Cs6 3.55(3) . ?
O1Y1 Cs6 3.60(3) 2_446 ?
O11T Cs5 3.15(3) . ?
O12T Cs2 3.16(2) 1_455 ?
O12 Cs1A 2.79(3) . ?
O12 Cs1A 3.01(3) 2_346 ?
O13T Cs1 3.286(19) 1_545 ?
O14 Cs6 3.33(3) . ?
O15T K1 2.98(3) 2_435 ?
O15 Cs1A 3.08(3) 2_346 ?
O15 Cs1 3.37(2) . ?
O16T Cs5 3.38(3) 2_345 ?
O26 Cs3 3.42(2) . ?
O26 Cs1A 3.48(3) 2_346 ?
O26 Cs3A 3.62(3) . ?
O27 Cs3 3.59(2) . ?
O34 Cs2 3.23(2) . ?
O34 Cs6 3.78(3) . ?
O39 Cs2 3.50(2) . ?
O56 Cs1A 3.55(2) 2_346 ?
O67 Cs3 3.66(2) . ?
O78 Cs3 3.06(2) 2_336 ?
O78 Cs3A 3.23(2) 2_336 ?
O410 Cs2 3.44(2) . ?
O612 Cs2 3.52(2) 1_455 ?
O910 Cs2 3.130(19) . ?
Cs1 O4W 3.03(4) 1_565 ?
Cs1 O7W 3.03(5) . ?
Cs1 O1W 3.32(3) 2_446 ?
Cs1A O8W 2.67(4) . ?
Cs1A O13W 3.76(6) 2_346 ?
Cs2 O11W 3.20(4) 1_565 ?
Cs2 O2W 3.64(4) 1_655 ?
Cs3 O3W 2.84(3) . ?
Cs3 O13W 2.99(6) . ?
Cs3 O1W 3.25(3) 1_455 ?
Cs3A O13W 2.36(6) . ?
Cs3A O1W 2.85(3) 1_455 ?
Cs3A O3W 3.39(4) . ?
Cs5 O10W 2.78(5) 2_445 ?
Cs5 O5W 2.84(4) 2_345 ?
Cs5 O12W 2.97(6) 1_465 ?
Cs6 O13W 2.71(7) 1_655 ?
Cs6 O8W 3.23(4) 2_446 ?
K1 O6W 2.77(5) 1_645 ?
O2W O14W 0.81(5) . ?

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
O2Y1 Y1 O3Y1 117.3(7) . . ?
O2Y1 Y1 O8Y1 77.1(7) . . ?
O3Y1 Y1 O8Y1 70.7(6) . . ?
O2Y1 Y1 O1Y1 74.5(7) . . ?
O3Y1 Y1 O1Y1 75.9(7) . . ?
O8Y1 Y1 O1Y1 118.3(7) . . ?
O2Y1 Y1 O12Y 73.7(7) . . ?
O3Y1 Y1 O12Y 140.5(7) . . ?
O8Y1 Y1 O12Y 76.0(6) . . ?
O1Y1 Y1 O12Y 140.5(7) . . ?
O2Y1 Y1 O11Y 143.0(7) . . ?
O3Y1 Y1 O11Y 77.9(7) . . ?
O8Y1 Y1 O11Y 138.5(8) . . ?
O1Y1 Y1 O11Y 77.6(7) . . ?
O12Y Y1 O11Y 117.4(7) . . ?
O2Y1 Y1 O13Y 77.7(7) . . ?
O3Y1 Y1 O13Y 145.2(7) . . ?
O8Y1 Y1 O13Y 143.6(7) . . ?
O1Y1 Y1 O13Y 79.0(7) . . ?
O12Y Y1 O13Y 72.0(7) . . ?
O11Y Y1 O13Y 73.5(8) . . ?
O2Y1 Y1 O8T 139.5(7) . 2_436 ?
O3Y1 Y1 O8T 80.1(7) . 2_436 ?
O8Y1 Y1 O8T 75.1(7) . 2_436 ?
O1Y1 Y1 O8T 145.5(7) . 2_436 ?
O12Y Y1 O8T 71.3(7) . 2_436 ?
O11Y Y1 O8T 73.4(7) . 2_436 ?
O13Y Y1 O8T 109.6(7) . 2_436 ?
O25L Y2 O24Y 122(2) . . ?
O25L Y2 O3P3 94.5(18) . . ?
O24Y Y2 O3P3 82.4(11) . . ?
O25L Y2 O3P4 88(2) . . ?
O24Y Y2 O3P4 145.7(9) . . ?
O3P3 Y2 O3P4 77.9(8) . . ?
O25L Y2 O26Y 43.9(19) . . ?
O24Y Y2 O26Y 84.2(11) . . ?
O3P3 Y2 O26Y 66.7(8) . . ?
O3P4 Y2 O26Y 112.6(10) . . ?
O25L Y2 O21Y 110.4(18) . . ?
O24Y Y2 O21Y 100.4(11) . . ?
O3P3 Y2 O21Y 147.6(7) . . ?
O3P4 Y2 O21Y 82.7(8) . . ?
O26Y Y2 O21Y 145.6(8) . . ?
O25L Y2 O25Y 28.6(17) . . ?
O24Y Y2 O25Y 145.8(11) . . ?
O3P3 Y2 O25Y 109.1(9) . . ?
O3P4 Y2 O25Y 68.1(9) . . ?
O26Y Y2 O25Y 72.2(10) . . ?
O21Y Y2 O25Y 86.8(8) . . ?
O25L Y2 O22Y 161(2) . . ?
O24Y Y2 O22Y 74.1(10) . . ?
O3P3 Y2 O22Y 77.5(8) . . ?
O3P4 Y2 O22Y 74.4(8) . . ?
O26Y Y2 O22Y 140.2(9) . . ?
O21Y Y2 O22Y 72.4(7) . . ?
O25Y Y2 O22Y 139.0(10) . . ?
O25L Y2 O23Y 69.3(19) . . ?
O24Y Y2 O23Y 77.4(10) . . ?
O3P3 Y2 O23Y 140.8(8) . . ?
O3P4 Y2 O23Y 133.9(8) . . ?
O26Y Y2 O23Y 78.0(9) . . ?
O21Y Y2 O23Y 70.0(8) . . ?
O25Y Y2 O23Y 73.8(9) . . ?
O22Y Y2 O23Y 127.0(8) . . ?
O3P3 Y2 O24L 102.3(16) . . ?
O3P4 Y2 O24L 145.0(15) . . ?
O21Y Y2 O24L 79.5(17) . . ?
O22Y Y2 O24L 71.6(15) . . ?
O23Y Y2 O24L 66.0(16) . . ?
O1Y1 W1 O1T 101.8(9) . . ?
O1Y1 W1 O14 96.5(9) . . ?
O1T W1 O14 101.8(9) . . ?
O1Y1 W1 O12 94.1(10) . . ?
O1T W1 O12 97.4(10) . . ?
O14 W1 O12 155.6(8) . . ?
O1Y1 W1 O15 163.5(8) . . ?
O1T W1 O15 94.6(9) . . ?
O14 W1 O15 81.7(9) . . ?
O12 W1 O15 82.0(9) . . ?
O1Y1 W1 O1P1 84.4(8) . . ?
O1T W1 O1P1 170.6(10) . . ?
O14 W1 O1P1 84.2(7) . . ?
O12 W1 O1P1 75.0(8) . . ?
O15 W1 O1P1 79.0(8) . . ?
O2T W2 O2Y1 101.9(9) . . ?
O2T W2 O27 99.9(9) . . ?
O2Y1 W2 O27 97.2(9) . . ?
O2T W2 O12 99.9(10) . . ?
O2Y1 W2 O12 93.4(9) . . ?
O27 W2 O12 155.1(8) . . ?
O2T W2 O26 93.6(9) . . ?
O2Y1 W2 O26 164.5(9) . . ?
O27 W2 O26 78.9(8) . . ?
O12 W2 O26 84.9(8) . . ?
O2T W2 O1P1 172.8(9) . . ?
O2Y1 W2 O1P1 83.6(8) . . ?
O27 W2 O1P1 83.8(8) . . ?
O12 W2 O1P1 75.0(8) . . ?
O26 W2 O1P1 81.0(8) . . ?
O3T W3 O3Y1 102.5(9) . . ?
O3T W3 O34 99.9(10) . . ?
O3Y1 W3 O34 96.7(8) . . ?
O3T W3 O38 104.1(10) . . ?
O3Y1 W3 O38 92.6(8) . . ?
O34 W3 O38 151.6(9) . . ?
O3T W3 O39 92.1(9) . . ?
O3Y1 W3 O39 165.0(9) . . ?
O34 W3 O39 84.3(7) . . ?
O38 W3 O39 80.1(8) . . ?
O3T W3 O2P1 168.0(8) . . ?
O3Y1 W3 O2P1 87.0(8) . . ?
O34 W3 O2P1 71.4(8) . . ?
O38 W3 O2P1 82.5(8) . . ?
O39 W3 O2P1 79.1(7) . . ?
O4T W4 O410 98.5(9) . . ?
O4T W4 O45 105.4(9) . . ?
O410 W4 O45 87.1(9) . . ?
O4T W4 O34 98.4(9) . . ?
O410 W4 O34 88.1(9) . . ?
O45 W4 O34 156.2(8) . . ?
O4T W4 O14 97.9(8) . . ?
O410 W4 O14 163.6(8) . . ?
O45 W4 O14 87.7(8) . . ?
O34 W4 O14 90.5(8) . . ?
O4T W4 O2P1 170.3(8) . . ?
O410 W4 O2P1 84.3(8) . . ?
O45 W4 O2P1 83.9(8) . . ?
O34 W4 O2P1 72.4(8) . . ?
O14 W4 O2P1 79.7(7) . . ?
O5T W5 O15 101.7(9) . . ?
O5T W5 O45 105.1(9) . . ?
O15 W5 O45 91.5(10) . . ?
O5T W5 O56 95.7(10) . . ?
O15 W5 O56 94.3(9) . . ?
O45 W5 O56 156.8(8) . . ?
O5T W5 O511 95.3(8) . . ?
O15 W5 O511 162.9(9) . . ?
O45 W5 O511 83.4(9) . . ?
O56 W5 O511 84.6(9) . . ?
O5T W5 O3P1 170.3(9) . . ?
O15 W5 O3P1 82.3(8) . . ?
O45 W5 O3P1 83.5(8) . . ?
O56 W5 O3P1 75.0(8) . . ?
O511 W5 O3P1 81.0(7) . . ?
O6T W6 O26 99.1(10) . . ?
O6T W6 O67 103.9(9) . . ?
O26 W6 O67 88.1(9) . . ?
O6T W6 O56 99.5(10) . . ?
O26 W6 O56 96.1(8) . . ?
O67 W6 O56 155.2(9) . . ?
O6T W6 O612 96.4(9) . . ?
O26 W6 O612 164.3(10) . . ?
O67 W6 O612 85.3(8) . . ?
O56 W6 O612 84.2(8) . . ?
O6T W6 O3P1 173.3(8) . . ?
O26 W6 O3P1 84.0(8) . . ?
O67 W6 O3P1 82.0(8) . . ?
O56 W6 O3P1 74.2(8) . . ?
O612 W6 O3P1 80.9(7) . . ?
O7T W7 O67 105.3(10) . . ?
O7T W7 O78 96.7(10) . . ?
O67 W7 O78 157.9(9) . . ?
O7T W7 O27 98.1(9) . . ?
O67 W7 O27 85.7(9) . . ?
O78 W7 O27 93.7(9) . . ?
O7T W7 O713 97.1(9) . . ?
O67 W7 O713 88.5(9) . . ?
O78 W7 O713 86.4(9) . . ?
O27 W7 O713 164.7(9) . . ?
O7T W7 O4P1 170.0(9) . . ?
O67 W7 O4P1 84.1(8) . . ?
O78 W7 O4P1 74.1(8) . . ?
O27 W7 O4P1 79.0(8) . . ?
O713 W7 O4P1 86.3(8) . . ?
O8T W8 O8Y1 101.6(9) . . ?
O8T W8 O38 102.7(10) . . ?
O8Y1 W8 O38 93.9(9) . . ?
O8T W8 O78 99.1(9) . . ?
O8Y1 W8 O78 97.6(9) . . ?
O38 W8 O78 152.7(9) . . ?
O8T W8 O814 90.2(8) . . ?
O8Y1 W8 O814 167.7(8) . . ?
O38 W8 O814 80.2(8) . . ?
O78 W8 O814 83.6(8) . . ?
O8T W8 O4P1 168.1(8) . . ?
O8Y1 W8 O4P1 88.0(8) . . ?
O38 W8 O4P1 83.4(8) . . ?
O78 W8 O4P1 72.4(8) . . ?
O814 W8 O4P1 80.7(7) . . ?
O9T W9 O39 100.6(10) . . ?
O9T W9 O910 101.0(10) . . ?
O39 W9 O910 91.4(8) . . ?
O9T W9 O914 101.5(10) . . ?
O39 W9 O914 97.8(8) . . ?
O910 W9 O914 153.5(9) . . ?
O9T W9 O1P3 93.2(10) . . ?
O39 W9 O1P3 165.7(10) . . ?
O910 W9 O1P3 82.2(8) . . ?
O914 W9 O1P3 82.9(8) . . ?
O9T W9 O1P2 171.9(8) . . ?
O39 W9 O1P2 85.9(8) . . ?
O910 W9 O1P2 73.8(8) . . ?
O914 W9 O1P2 82.2(8) . . ?
O1P3 W9 O1P2 80.0(8) . . ?
O10T W10 O101 103.6(9) . . ?
O10T W10 O910 99.4(10) . . ?
O101 W10 O910 157.1(8) . . ?
O10T W10 O410 100.2(9) . . ?
O101 W10 O410 87.6(9) . . ?
O910 W10 O410 88.6(9) . . ?
O10T W10 O105 98.1(8) . . ?
O101 W10 O105 84.9(9) . . ?
O910 W10 O105 91.7(8) . . ?
O410 W10 O105 161.5(9) . . ?
O10T W10 O1P2 170.0(9) . . ?
O101 W10 O1P2 85.3(8) . . ?
O910 W10 O1P2 71.9(8) . . ?
O410 W10 O1P2 84.8(8) . . ?
O105 W10 O1P2 77.7(7) . . ?
O11T W11 O511 101.7(9) . . ?
O11T W11 O112 98.9(10) . . ?
O511 W11 O112 93.8(9) . . ?
O11T W11 O101 102.2(9) . . ?
O511 W11 O101 92.9(9) . . ?
O112 W11 O101 156.1(9) . . ?
O11T W11 O115 95.9(8) . . ?
O511 W11 O115 162.4(8) . . ?
O112 W11 O115 84.8(9) . . ?
O101 W11 O115 82.0(8) . . ?
O11T W11 O2P2 170.7(8) . . ?
O511 W11 O2P2 84.0(8) . . ?
O112 W11 O2P2 73.2(8) . . ?
O101 W11 O2P2 84.7(8) . . ?
O115 W11 O2P2 78.8(7) . . ?
O12T W12 O612 100.6(10) . . ?
O12T W12 O123 101.5(10) . . ?
O612 W12 O123 93.3(9) . . ?
O12T W12 O112 101.2(9) . . ?
O612 W12 O112 93.8(8) . . ?
O123 W12 O112 154.6(10) . . ?
O12T W12 O126 95.3(9) . . ?
O612 W12 O126 164.1(9) . . ?
O123 W12 O126 82.7(8) . . ?
O112 W12 O126 83.9(8) . . ?
O12T W12 O2P2 172.0(8) . . ?
O612 W12 O2P2 84.9(8) . . ?
O123 W12 O2P2 83.9(9) . . ?
O112 W12 O2P2 72.4(8) . . ?
O126 W12 O2P2 79.4(8) . . ?
O13T W13 O134 99.5(10) . . ?
O13T W13 O713 100.3(9) . . ?
O134 W13 O713 91.6(9) . . ?
O13T W13 O136 96.4(8) . . ?
O134 W13 O136 90.7(9) . . ?
O713 W13 O136 162.6(8) . . ?
O13T W13 O123 103.1(10) . . ?
O134 W13 O123 157.1(9) . . ?
O713 W13 O123 88.1(9) . . ?
O136 W13 O123 83.2(9) . . ?
O13T W13 O3P2 170.8(8) . . ?
O134 W13 O3P2 73.6(8) . . ?
O713 W13 O3P2 86.0(8) . . ?
O136 W13 O3P2 78.1(7) . . ?
O123 W13 O3P2 83.6(8) . . ?
O14T W14 O814 100.5(9) . . ?
O14T W14 O914 102.0(10) . . ?
O814 W14 O914 96.9(9) . . ?
O14T W14 O134 100.7(10) . . ?
O814 W14 O134 92.0(9) . . ?
O914 W14 O134 153.6(9) . . ?
O14T W14 O1P4 94.2(8) . . ?
O814 W14 O1P4 165.0(9) . . ?
O914 W14 O1P4 82.8(8) . . ?
O134 W14 O1P4 82.3(8) . . ?
O14T W14 O3P2 173.2(8) . . ?
O814 W14 O3P2 84.0(8) . . ?
O914 W14 O3P2 82.4(8) . . ?
O134 W14 O3P2 73.9(8) . . ?
O1P4 W14 O3P2 81.1(7) . . ?
O15T W15 O115 102.1(9) . . ?
O15T W15 O105 104.4(9) . . ?
O115 W15 O105 87.9(9) . . ?
O15T W15 O156 95.6(9) . . ?
O115 W15 O156 95.5(10) . . ?
O105 W15 O156 158.6(9) . . ?
O15T W15 O2P3 96.2(9) . . ?
O115 W15 O2P3 160.9(8) . . ?
O105 W15 O2P3 82.3(8) . . ?
O156 W15 O2P3 88.0(9) . . ?
O15T W15 O4P2 166.8(8) . . ?
O115 W15 O4P2 83.5(8) . . ?
O105 W15 O4P2 87.6(8) . . ?
O156 W15 O4P2 71.8(8) . . ?
O2P3 W15 O4P2 79.8(8) . . ?
O16T W16 O126 103.5(11) . . ?
O16T W16 O136 102.2(10) . . ?
O126 W16 O136 88.4(9) . . ?
O16T W16 O156 96.6(10) . . ?
O126 W16 O156 96.9(9) . . ?
O136 W16 O156 158.8(10) . . ?
O16T W16 O2P4 92.8(10) . . ?
O126 W16 O2P4 163.3(8) . . ?
O136 W16 O2P4 85.2(9) . . ?
O156 W16 O2P4 84.1(9) . . ?
O16T W16 O4P2 166.5(10) . . ?
O126 W16 O4P2 85.4(8) . . ?
O136 W16 O4P2 87.9(8) . . ?
O156 W16 O4P2 72.0(8) . . ?
O2P4 W16 O4P2 79.0(7) . . ?
O4P1 P1 O2P1 112.6(12) . . ?
O4P1 P1 O1P1 107.1(11) . . ?
O2P1 P1 O1P1 109.4(11) . . ?
O4P1 P1 O3P1 109.1(11) . . ?
O2P1 P1 O3P1 111.3(11) . . ?
O1P1 P1 O3P1 107.2(12) . . ?
O3P2 P2 O1P2 111.5(11) . . ?
O3P2 P2 O2P2 110.2(12) . . ?
O1P2 P2 O2P2 112.7(12) . . ?
O3P2 P2 O4P2 108.5(10) . . ?
O1P2 P2 O4P2 105.9(11) . . ?
O2P2 P2 O4P2 107.9(12) . . ?
O3P3 P3 O2P3 109.8(12) . . ?
O3P3 P3 O1P3 113.1(12) . . ?
O2P3 P3 O1P3 108.3(13) . . ?
O3P3 P3 C31 106.7(12) . . ?
O2P3 P3 C31 108.1(11) . . ?
O1P3 P3 C31 110.9(11) . . ?
O3P4 P4 O2P4 106.1(12) . . ?
O3P4 P4 O1P4 113.1(13) . . ?
O2P4 P4 O1P4 111.0(12) . . ?
O3P4 P4 C41 110.3(13) . . ?
O2P4 P4 C41 103.8(13) . . ?
O1P4 P4 C41 112.0(11) . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P3 121.4(13) . . ?
C36 C31 P3 118.3(13) . . ?
C33 C32 C31 120.0 . . ?
C34 C33 C32 120.0 . . ?
C33 C34 C35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C35 C36 C31 120.0 . . ?
C43 C41 C46 120.0 . . ?
C43 C41 P4 114.6(18) . . ?
C46 C41 P4 125.3(18) . . ?
C42 C43 C41 120.0 . . ?
C44 C42 C43 120.0 . . ?
C42 C44 C45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C45 C46 C41 120.0 . . ?
O24Y Cs4 O9T 105.5(9) . . ?
O24Y Cs4 O12T 142.1(9) . 1_655 ?
O9T Cs4 O12T 66.8(6) . 1_655 ?
O24Y Cs4 O13T 122.7(9) . 1_655 ?
O9T Cs4 O13T 105.0(6) . 1_655 ?
O12T Cs4 O13T 94.6(5) 1_655 1_655 ?
O24Y Cs4 O16T 85.9(8) . 1_655 ?
O9T Cs4 O16T 153.0(6) . 1_655 ?
O12T Cs4 O16T 89.0(6) 1_655 1_655 ?
O13T Cs4 O16T 88.1(6) 1_655 1_655 ?
O24Y Cs4 O123 162.2(9) . 1_655 ?
O9T Cs4 O123 92.2(6) . 1_655 ?
O12T Cs4 O123 47.1(5) 1_655 1_655 ?
O13T Cs4 O123 48.9(5) 1_655 1_655 ?
O16T Cs4 O123 78.5(6) 1_655 1_655 ?
O24Y Cs4 O136 120.3(8) . 1_655 ?
O9T Cs4 O136 133.8(5) . 1_655 ?
O12T Cs4 O136 79.5(5) 1_655 1_655 ?
O13T Cs4 O136 45.7(5) 1_655 1_655 ?
O16T Cs4 O136 45.4(5) 1_655 1_655 ?
O123 Cs4 O136 41.9(5) 1_655 1_655 ?
O24Y Cs4 O126 127.2(8) . 1_655 ?
O9T Cs4 O126 113.4(6) . 1_655 ?
O12T Cs4 O126 46.6(5) 1_655 1_655 ?
O13T Cs4 O126 80.3(5) 1_655 1_655 ?
O16T Cs4 O126 44.7(5) 1_655 1_655 ?
O123 Cs4 O126 42.3(5) 1_655 1_655 ?
O136 Cs4 O126 41.2(5) 1_655 1_655 ?
O24Y Cs4 O22Y 49.6(8) . . ?
O9T Cs4 O22Y 60.5(6) . . ?
O12T Cs4 O22Y 124.6(7) 1_655 . ?
O13T Cs4 O22Y 113.9(6) 1_655 . ?
O16T Cs4 O22Y 135.5(6) 1_655 . ?
O123 Cs4 O22Y 145.2(6) 1_655 . ?
O136 Cs4 O22Y 153.0(6) 1_655 . ?
O126 Cs4 O22Y 165.2(6) 1_655 . ?
O24Y Cs4 O14W 142.2(10) . 1_655 ?
O9T Cs4 O14W 50.4(9) . 1_655 ?
O12T Cs4 O14W 62.6(8) 1_655 1_655 ?
O13T Cs4 O14W 56.6(9) 1_655 1_655 ?
O16T Cs4 O14W 129.4(9) 1_655 1_655 ?
O123 Cs4 O14W 51.1(9) 1_655 1_655 ?
O136 Cs4 O14W 86.7(9) 1_655 1_655 ?
O126 Cs4 O14W 90.6(8) 1_655 1_655 ?
O22Y Cs4 O14W 94.1(9) . 1_655 ?
O12W Cs4A O9W 100.0(13) 1_455 1_545 ?
O24L Cs4A O13T 121.4(16) 1_455 . ?
O12W Cs4A O13T 143.0(12) 1_455 . ?
O9W Cs4A O13T 107.5(9) 1_545 . ?
O24L Cs4A O136 128.7(17) 1_455 . ?
O12W Cs4A O136 102.6(11) 1_455 . ?
O9W Cs4A O136 155.5(9) 1_545 . ?
O13T Cs4A O136 48.0(5) . . ?
O24L Cs4A O16T 94.3(17) 1_455 . ?
O12W Cs4A O16T 56.2(11) 1_455 . ?
O9W Cs4A O16T 153.8(10) 1_545 . ?
O13T Cs4A O16T 90.7(6) . . ?
O136 Cs4A O16T 46.5(5) . . ?
O12W Cs4A O5T 132.5(11) 1_455 1_545 ?
O9W Cs4A O5T 44.2(9) 1_545 1_545 ?
O13T Cs4A O5T 84.3(5) . 1_545 ?
O136 Cs4A O5T 120.4(6) . 1_545 ?
O16T Cs4A O5T 160.5(7) . 1_545 ?
O21Y Cs7 O11W 86.2(12) . . ?
O21Y Cs7 O14T 116.0(10) . . ?
O11W Cs7 O14T 129.3(12) . . ?
O21Y Cs7 O4T 124.6(9) . 1_545 ?
O11W Cs7 O4T 83.4(11) . 1_545 ?
O14T Cs7 O4T 112.4(10) . 1_545 ?
O21Y Cs7 O22Y 51.1(7) . . ?
O11W Cs7 O22Y 107.6(12) . . ?
O14T Cs7 O22Y 66.6(7) . . ?
O4T Cs7 O22Y 166.8(11) 1_545 . ?
O21Y Cs7 O4W 137.6(11) . . ?
O11W Cs7 O4W 129.6(12) . . ?
O14T Cs7 O4W 62.2(8) . . ?
O4T Cs7 O4W 53.7(8) 1_545 . ?
O22Y Cs7 O4W 119.1(10) . . ?
Y1 O11Y Cs6 111.8(8) . . ?
Y1 O11Y Cs6 113.3(9) . 2_446 ?
Cs6 O11Y Cs6 48.5(7) . 2_446 ?
Y1 O11Y Cs3A 118.5(7) . 1_655 ?
Cs6 O11Y Cs3A 80.4(7) . 1_655 ?
Cs6 O11Y Cs3A 117.4(8) 2_446 1_655 ?
Y2 O21Y K1 128.3(10) . . ?
Y2 O21Y Cs7 127.8(10) . . ?
K1 O21Y Cs7 97.5(10) . . ?
Y2 O22Y Cs7 98.9(8) . . ?
Y2 O22Y Cs4 98.6(8) . . ?
Y2 O23Y Cs5 138.5(9) . 1_645 ?
Y2 O24Y Cs4 131.2(14) . . ?
Cs4A O24L Y2 170(3) 1_655 . ?
W1 O1T Cs1 114.5(9) . . ?
W1 O1T Cs1A 87.7(8) . . ?
W2 O2T Cs1 142.3(10) . 2_346 ?
W2 O2T Cs3 107.4(8) . . ?
Cs1 O2T Cs3 110.3(7) 2_346 . ?
W2 O2T Cs3A 116.1(8) . . ?
W2 O2T Cs1A 88.8(8) . . ?
Cs3A O2T Cs1A 131.8(8) . . ?
W3 O3T Cs3A 130.2(11) . 1_655 ?
W3 O3T Cs3 144.1(11) . 1_655 ?
W4 O4T Cs7 170.6(11) . 1_565 ?
W5 O5T Cs1 111.7(8) . . ?
W5 O5T Cs4A 155.1(10) . 1_565 ?
Cs1 O5T Cs4A 86.4(5) . 1_565 ?
W6 O6T Cs2 120.2(9) . 1_455 ?
W6 O6T Cs3 102.4(9) . . ?
Cs2 O6T Cs3 129.2(7) 1_455 . ?
W6 O6T Cs3A 111.5(10) . . ?
Cs2 O6T Cs3A 125.3(8) 1_455 . ?
W7 O7T Cs3 105.4(9) . 2_336 ?
W7 O7T Cs3 99.2(8) . . ?
Cs3 O7T Cs3 126.3(6) 2_336 . ?
W7 O7T Cs3A 101.8(9) . 2_336 ?
Cs3 O7T Cs3A 9.2(2) 2_336 2_336 ?
Cs3 O7T Cs3A 135.5(6) . 2_336 ?
W8 O8T Y1 157.4(11) . 2_436 ?
W9 O9T Cs4 149.9(10) . . ?
W10 O10T K1 147.0(12) . 1_565 ?
P1 O1P1 W2 129.4(12) . . ?
P1 O1P1 W1 127.8(11) . . ?
W2 O1P1 W1 91.7(7) . . ?
W1 O1Y1 Y1 136.6(10) . . ?
W1 O1Y1 Cs6 95.3(8) . . ?
Y1 O1Y1 Cs6 110.5(8) . . ?
W1 O1Y1 Cs6 112.1(9) . 2_446 ?
Y1 O1Y1 Cs6 111.1(8) . 2_446 ?
Cs6 O1Y1 Cs6 47.5(7) . 2_446 ?
W11 O11T Cs5 176.2(10) . . ?
P2 O1P2 W9 133.6(11) . . ?
P2 O1P2 W10 128.6(11) . . ?
W9 O1P2 W10 91.0(7) . . ?
W12 O12T Cs2 114.3(8) . 1_455 ?
W12 O12T Cs4 106.0(9) . 1_455 ?
Cs2 O12T Cs4 127.0(7) 1_455 1_455 ?
W1 O12 W2 115.7(12) . . ?
W1 O12 Cs1A 117.2(10) . . ?
W2 O12 Cs1A 112.4(10) . . ?
W1 O12 Cs1A 106.0(9) . 2_346 ?
W2 O12 Cs1A 118.2(11) . 2_346 ?
W13 O13T Cs4A 116.2(9) . . ?
W13 O13T Cs1 127.7(10) . 1_545 ?
W13 O13T Cs4 103.1(8) . 1_455 ?
Cs1 O13T Cs4 129.1(6) 1_545 1_455 ?
P3 O1P3 W9 153.2(14) . . ?
W1 O14 W4 155.6(11) . . ?
W1 O14 Cs6 99.0(7) . . ?
W4 O14 Cs6 105.3(9) . . ?
P4 O1P4 W14 160.6(13) . . ?
W14 O14T Cs7 138.3(10) . . ?
W15 O15T K1 157.1(11) . 2_435 ?
W5 O15 W1 149.5(14) . . ?
W5 O15 Cs1A 109.8(11) . 2_346 ?
W1 O15 Cs1A 100.5(8) . 2_346 ?
W5 O15 Cs1 96.3(8) . . ?
W1 O15 Cs1 100.6(7) . . ?
W16 O16T Cs5 112.8(11) . 2_345 ?
W16 O16T Cs4 98.0(9) . 1_455 ?
Cs5 O16T Cs4 93.2(7) 2_345 1_455 ?
W16 O16T Cs4A 107.3(10) . . ?
Cs5 O16T Cs4A 129.8(9) 2_345 . ?
P1 O2P1 W4 128.8(11) . . ?
P1 O2P1 W3 125.0(10) . . ?
W4 O2P1 W3 91.8(7) . . ?
W2 O2Y1 Y1 137.6(10) . . ?
P2 O2P2 W12 128.4(11) . . ?
P2 O2P2 W11 127.0(12) . . ?
W12 O2P2 W11 89.5(8) . . ?
P3 O2P3 W15 134.7(11) . . ?
P4 O2P4 W16 136.6(12) . . ?
W6 O26 W2 150.9(12) . . ?
W6 O26 Cs3 92.5(8) . . ?
W2 O26 Cs3 91.1(6) . . ?
W6 O26 Cs1A 107.9(9) . 2_346 ?
W2 O26 Cs1A 97.6(7) . 2_346 ?
Cs3 O26 Cs1A 111.0(7) . 2_346 ?
W6 O26 Cs3A 95.0(8) . . ?
W2 O26 Cs3A 94.5(7) . . ?
Cs1A O26 Cs3A 99.1(7) 2_346 . ?
W2 O27 W7 156.7(11) . . ?
W2 O27 Cs3 89.5(8) . . ?
W7 O27 Cs3 92.5(8) . . ?
P1 O3P1 W6 127.5(10) . . ?
P1 O3P1 W5 124.6(10) . . ?
W6 O3P1 W5 89.9(7) . . ?
W3 O3Y1 Y1 158.8(10) . . ?
P2 O3P2 W14 131.4(12) . . ?
P2 O3P2 W13 129.9(11) . . ?
W14 O3P2 W13 89.4(6) . . ?
P3 O3P3 Y2 150.5(13) . . ?
W3 O34 W4 124.3(11) . . ?
W3 O34 Cs2 110.4(8) . . ?
W4 O34 Cs2 106.1(7) . . ?
W3 O34 Cs6 111.3(8) . . ?
W4 O34 Cs6 91.0(8) . . ?
Cs2 O34 Cs6 112.3(7) . . ?
P4 O3P4 Y2 162.6(13) . . ?
W8 O38 W3 142.9(12) . . ?
W9 O39 W3 167.2(11) . . ?
W9 O39 Cs2 96.1(8) . . ?
W3 O39 Cs2 95.6(6) . . ?
P1 O4P1 W7 129.8(13) . . ?
P1 O4P1 W8 126.2(12) . . ?
W7 O4P1 W8 91.6(6) . . ?
P2 O4P2 W15 125.1(10) . . ?
P2 O4P2 W16 123.3(12) . . ?
W15 O4P2 W16 95.7(7) . . ?
W5 O45 W4 147.4(11) . . ?
W5 O56 W6 120.3(12) . . ?
W5 O56 Cs1A 92.2(7) . 2_346 ?
W6 O56 Cs1A 101.6(7) . 2_346 ?
W7 O67 W6 150.3(11) . . ?
W7 O67 Cs3 91.6(7) . . ?
W6 O67 Cs3 83.3(7) . . ?
W7 O78 W8 121.6(10) . . ?
W7 O78 Cs3 107.4(9) . 2_336 ?
W8 O78 Cs3 127.5(9) . 2_336 ?
W7 O78 Cs3A 118.0(10) . 2_336 ?
W8 O78 Cs3A 119.6(9) . 2_336 ?
Cs3 O78 Cs3A 13.6(3) 2_336 2_336 ?
W8 O8Y1 Y1 158.0(12) . . ?
W10 O101 W11 154.9(11) . . ?
W15 O105 W10 150.1(13) . . ?
W11 O112 W12 123.0(11) . . ?
W15 O115 W11 151.7(12) . . ?
W12 O123 W13 155.6(14) . . ?
W12 O123 Cs4 92.3(8) . 1_455 ?
W13 O123 Cs4 91.1(7) . 1_455 ?
W16 O126 W12 149.9(11) . . ?
W16 O126 Cs4 91.5(7) . 1_455 ?
W12 O126 Cs4 87.0(7) . 1_455 ?
W13 O134 W14 122.6(11) . . ?
W16 O136 W13 150.8(11) . . ?
W16 O136 Cs4A 103.6(7) . . ?
W13 O136 Cs4A 98.5(7) . . ?
W16 O136 Cs4 90.4(8) . 1_455 ?
W13 O136 Cs4 88.9(8) . 1_455 ?
W16 O156 W15 118.9(11) . . ?
W4 O410 W10 164.1(15) . . ?
W4 O410 Cs2 99.6(8) . . ?
W10 O410 Cs2 95.6(9) . . ?
W11 O511 W5 161.9(14) . . ?
W12 O612 W6 161.4(11) . . ?
W12 O612 Cs2 97.2(8) . 1_455 ?
W6 O612 Cs2 91.4(7) . 1_455 ?
W13 O713 W7 163.8(13) . . ?
W14 O814 W8 167.2(12) . . ?
W10 O910 W9 122.9(11) . . ?
W10 O910 Cs2 107.1(7) . . ?
W9 O910 Cs2 105.3(7) . . ?
W14 O914 W9 164.7(14) . . ?
O2T Cs1 O4W 129.3(7) 2_346 1_565 ?
O2T Cs1 O7W 70.5(8) 2_346 . ?
O4W Cs1 O7W 141.6(10) 1_565 . ?
O2T Cs1 O5T 148.8(5) 2_346 . ?
O4W Cs1 O5T 77.6(7) 1_565 . ?
O7W Cs1 O5T 98.5(8) . . ?
O2T Cs1 O1T 78.7(5) 2_346 . ?
O4W Cs1 O1T 73.9(7) 1_565 . ?
O7W Cs1 O1T 143.6(9) . . ?
O5T Cs1 O1T 97.9(5) . . ?
O2T Cs1 O13T 105.3(5) 2_346 1_565 ?
O4W Cs1 O13T 77.2(7) 1_565 1_565 ?
O7W Cs1 O13T 65.0(9) . 1_565 ?
O5T Cs1 O13T 95.2(5) . 1_565 ?
O1T Cs1 O13T 144.6(6) . 1_565 ?
O2T Cs1 O1W 75.4(6) 2_346 2_446 ?
O4W Cs1 O1W 55.4(7) 1_565 2_446 ?
O7W Cs1 O1W 118.4(9) . 2_446 ?
O5T Cs1 O1W 133.0(6) . 2_446 ?
O1T Cs1 O1W 69.9(6) . 2_446 ?
O13T Cs1 O1W 77.1(6) 1_565 2_446 ?
O2T Cs1 O15 112.5(5) 2_346 . ?
O4W Cs1 O15 80.3(7) 1_565 . ?
O7W Cs1 O15 126.5(9) . . ?
O5T Cs1 O15 50.0(5) . . ?
O1T Cs1 O15 50.2(5) . . ?
O13T Cs1 O15 142.1(5) 1_565 . ?
O1W Cs1 O15 113.5(6) 2_446 . ?
O8W Cs1A O12 99.1(11) . . ?
O8W Cs1A O12 140.4(11) . 2_346 ?
O12 Cs1A O12 96.7(8) . 2_346 ?
O8W Cs1A O15 123.7(10) . 2_346 ?
O12 Cs1A O15 137.2(10) . 2_346 ?
O12 Cs1A O15 51.4(7) 2_346 2_346 ?
O8W Cs1A O26 93.2(9) . 2_346 ?
O12 Cs1A O26 128.2(8) . 2_346 ?
O12 Cs1A O26 49.4(6) 2_346 2_346 ?
O15 Cs1A O26 56.4(6) 2_346 2_346 ?
O8W Cs1A O56 76.3(9) . 2_346 ?
O12 Cs1A O56 171.9(9) . 2_346 ?
O12 Cs1A O56 83.2(7) 2_346 2_346 ?
O15 Cs1A O56 47.9(6) 2_346 2_346 ?
O26 Cs1A O56 46.5(5) 2_346 2_346 ?
O8W Cs1A O2T 116.9(10) . . ?
O12 Cs1A O2T 49.7(6) . . ?
O12 Cs1A O2T 101.0(8) 2_346 . ?
O15 Cs1A O2T 103.2(8) 2_346 . ?
O26 Cs1A O2T 149.9(9) 2_346 . ?
O56 Cs1A O2T 138.3(7) 2_346 . ?
O8W Cs1A O1T 75.2(9) . . ?
O12 Cs1A O1T 47.5(6) . . ?
O12 Cs1A O1T 89.7(7) 2_346 . ?
O15 Cs1A O1T 138.5(8) 2_346 . ?
O26 Cs1A O1T 89.0(6) 2_346 . ?
O56 Cs1A O1T 124.4(7) 2_346 . ?
O2T Cs1A O1T 97.2(6) . . ?
O8W Cs1A O13W 49.9(12) . 2_346 ?
O12 Cs1A O13W 89.5(11) . 2_346 ?
O12 Cs1A O13W 94.5(11) 2_346 2_346 ?
O15 Cs1A O13W 117.2(11) 2_346 2_346 ?
O26 Cs1A O13W 61.6(10) 2_346 2_346 ?
O56 Cs1A O13W 82.5(9) 2_346 2_346 ?
O2T Cs1A O13W 137.4(11) . 2_346 ?
O1T Cs1A O13W 43.1(9) . 2_346 ?
O6T Cs2 O910 142.3(5) 1_655 . ?
O6T Cs2 O12T 90.4(5) 1_655 1_655 ?
O910 Cs2 O12T 81.9(5) . 1_655 ?
O6T Cs2 O11W 67.9(8) 1_655 1_565 ?
O910 Cs2 O11W 145.3(9) . 1_565 ?
O12T Cs2 O11W 122.4(9) 1_655 1_565 ?
O6T Cs2 O34 83.0(6) 1_655 . ?
O910 Cs2 O34 81.2(5) . . ?
O12T Cs2 O34 142.5(5) 1_655 . ?
O11W Cs2 O34 89.1(8) 1_565 . ?
O6T Cs2 O410 129.1(6) 1_655 . ?
O910 Cs2 O410 47.5(5) . . ?
O12T Cs2 O410 129.4(5) 1_655 . ?
O11W Cs2 O410 103.4(9) 1_565 . ?
O34 Cs2 O410 46.1(5) . . ?
O6T Cs2 O39 99.5(5) 1_655 . ?
O910 Cs2 O39 46.1(4) . . ?
O12T Cs2 O39 98.1(5) 1_655 . ?
O11W Cs2 O39 136.5(8) 1_565 . ?
O34 Cs2 O39 47.5(5) . . ?
O410 Cs2 O39 51.3(5) . . ?
O6T Cs2 O612 49.5(5) 1_655 1_655 ?
O910 Cs2 O612 126.8(5) . 1_655 ?
O12T Cs2 O612 46.1(5) 1_655 1_655 ?
O11W Cs2 O612 84.2(9) 1_565 1_655 ?
O34 Cs2 O612 130.9(5) . 1_655 ?
O410 Cs2 O612 171.3(5) . 1_655 ?
O39 Cs2 O612 120.1(5) . 1_655 ?
O6T Cs2 O2W 58.1(6) 1_655 1_655 ?
O910 Cs2 O2W 88.1(6) . 1_655 ?
O12T Cs2 O2W 55.6(6) 1_655 1_655 ?
O11W Cs2 O2W 125.5(9) 1_565 1_655 ?
O34 Cs2 O2W 90.6(7) . 1_655 ?
O410 Cs2 O2W 114.8(7) . 1_655 ?
O39 Cs2 O2W 63.5(7) . 1_655 ?
O612 Cs2 O2W 56.6(6) 1_655 1_655 ?
O3W Cs3 O13W 144.3(13) . . ?
O3W Cs3 O3T 58.7(8) . 1_455 ?
O13W Cs3 O3T 85.7(12) . 1_455 ?
O3W Cs3 O78 66.6(8) . 2_336 ?
O13W Cs3 O78 123.5(12) . 2_336 ?
O3T Cs3 O78 94.8(6) 1_455 2_336 ?
O3W Cs3 O2T 137.6(9) . . ?
O13W Cs3 O2T 76.4(12) . . ?
O3T Cs3 O2T 158.8(6) 1_455 . ?
O78 Cs3 O2T 104.5(5) 2_336 . ?
O3W Cs3 O6T 97.9(7) . . ?
O13W Cs3 O6T 63.2(11) . . ?
O3T Cs3 O6T 67.6(6) 1_455 . ?
O78 Cs3 O6T 161.5(5) 2_336 . ?
O2T Cs3 O6T 93.8(5) . . ?
O3W Cs3 O1W 120.5(8) . 1_455 ?
O13W Cs3 O1W 72.5(11) . 1_455 ?
O3T Cs3 O1W 112.4(7) 1_455 1_455 ?
O78 Cs3 O1W 55.3(6) 2_336 1_455 ?
O2T Cs3 O1W 73.2(6) . 1_455 ?
O6T Cs3 O1W 135.6(6) . 1_455 ?
O3W Cs3 O7T 76.4(8) . 2_336 ?
O13W Cs3 O7T 138.0(11) . 2_336 ?
O3T Cs3 O7T 132.2(5) 1_455 2_336 ?
O78 Cs3 O7T 49.3(6) 2_336 2_336 ?
O2T Cs3 O7T 68.6(5) . 2_336 ?
O6T Cs3 O7T 139.6(6) . 2_336 ?
O1W Cs3 O7T 75.6(6) 1_455 2_336 ?
O3W Cs3 O26 119.5(8) . . ?
O13W Cs3 O26 70.5(12) . . ?
O3T Cs3 O26 113.7(5) 1_455 . ?
O78 Cs3 O26 149.9(6) 2_336 . ?
O2T Cs3 O26 49.6(5) . . ?
O6T Cs3 O26 46.2(5) . . ?
O1W Cs3 O26 116.9(6) 1_455 . ?
O7T Cs3 O26 101.6(5) 2_336 . ?
O3W Cs3 O7T 50.7(9) . . ?
O13W Cs3 O7T 149.0(12) . . ?
O3T Cs3 O7T 101.5(5) 1_455 . ?
O78 Cs3 O7T 86.2(5) 2_336 . ?
O2T Cs3 O7T 88.6(5) . . ?
O6T Cs3 O7T 91.4(5) . . ?
O1W Cs3 O7T 129.3(6) 1_455 . ?
O7T Cs3 O7T 53.7(6) 2_336 . ?
O26 Cs3 O7T 79.1(5) . . ?
O3W Cs3 O27 95.0(9) . . ?
O13W Cs3 O27 109.7(12) . . ?
O3T Cs3 O27 132.9(5) 1_455 . ?
O78 Cs3 O27 110.3(6) 2_336 . ?
O2T Cs3 O27 47.4(5) . . ?
O6T Cs3 O27 79.9(5) . . ?
O1W Cs3 O27 114.8(6) 1_455 . ?
O7T Cs3 O27 61.2(5) 2_336 . ?
O26 Cs3 O27 42.7(5) . . ?
O7T Cs3 O27 44.5(5) . . ?
O3W Cs3 O67 77.1(8) . . ?
O13W Cs3 O67 104.6(12) . . ?
O3T Cs3 O67 92.4(5) 1_455 . ?
O78 Cs3 O67 131.7(5) 2_336 . ?
O2T Cs3 O67 81.4(5) . . ?
O6T Cs3 O67 47.6(5) . . ?
O1W Cs3 O67 154.5(6) 1_455 . ?
O7T Cs3 O67 92.8(5) 2_336 . ?
O26 Cs3 O67 42.4(4) . . ?
O7T Cs3 O67 45.6(4) . . ?
O27 Cs3 O67 41.2(4) . . ?
O13W Cs3A O1W 90.0(15) . 1_455 ?
O13W Cs3A O3T 99.6(15) . 1_455 ?
O1W Cs3A O3T 127.2(9) 1_455 1_455 ?
O13W Cs3A O78 145.1(16) . 2_336 ?
O1W Cs3A O78 57.3(7) 1_455 2_336 ?
O3T Cs3A O78 92.5(7) 1_455 2_336 ?
O13W Cs3A O6T 68.8(14) . . ?
O1W Cs3A O6T 157.0(9) 1_455 . ?
O3T Cs3A O6T 67.6(6) 1_455 . ?
O78 Cs3A O6T 145.3(8) 2_336 . ?
O13W Cs3A O2T 83.7(16) . . ?
O1W Cs3A O2T 77.2(7) 1_455 . ?
O3T Cs3A O2T 155.1(9) 1_455 . ?
O78 Cs3A O2T 98.7(7) 2_336 . ?
O6T Cs3A O2T 91.2(6) . . ?
O13W Cs3A O3W 150.1(15) . . ?
O1W Cs3A O3W 115.9(9) 1_455 . ?
O3T Cs3A O3W 53.5(8) 1_455 . ?
O78 Cs3A O3W 58.7(7) 2_336 . ?
O6T Cs3A O3W 86.9(8) . . ?
O2T Cs3A O3W 115.0(10) . . ?
O13W Cs3A O11Y 71.1(16) . 1_455 ?
O1W Cs3A O11Y 49.8(7) 1_455 1_455 ?
O3T Cs3A O11Y 84.6(7) 1_455 1_455 ?
O78 Cs3A O11Y 77.7(6) 2_336 1_455 ?
O6T Cs3A O11Y 125.4(8) . 1_455 ?
O2T Cs3A O11Y 119.4(7) . 1_455 ?
O3W Cs3A O11Y 113.5(8) . 1_455 ?
O13W Cs3A O26 73.7(16) . . ?
O1W Cs3A O26 122.7(8) 1_455 . ?
O3T Cs3A O26 109.7(7) 1_455 . ?
O78 Cs3A O26 132.2(8) 2_336 . ?
O6T Cs3A O26 44.2(5) . . ?
O2T Cs3A O26 47.2(5) . . ?
O3W Cs3A O26 101.3(9) . . ?
O11Y Cs3A O26 143.7(7) 1_455 . ?
O13W Cs3A O7T 143.6(15) . 2_336 ?
O1W Cs3A O7T 72.6(7) 1_455 2_336 ?
O3T Cs3A O7T 116.5(8) 1_455 2_336 ?
O78 Cs3A O7T 43.5(6) 2_336 2_336 ?
O6T Cs3A O7T 119.4(8) . 2_336 ?
O2T Cs3A O7T 61.6(5) . 2_336 ?
O3W Cs3A O7T 63.6(7) . 2_336 ?
O11Y Cs3A O7T 115.0(6) 1_455 2_336 ?
O26 Cs3A O7T 88.9(6) . 2_336 ?
O10W Cs5 O5W 141.1(13) 2_445 2_345 ?
O10W Cs5 O12W 67.8(15) 2_445 1_465 ?
O5W Cs5 O12W 150.1(16) 2_345 1_465 ?
O10W Cs5 O11T 92.8(10) 2_445 . ?
O5W Cs5 O11T 74.4(9) 2_345 . ?
O12W Cs5 O11T 119.9(12) 1_465 . ?
O10W Cs5 O16T 106.6(10) 2_445 2_345 ?
O5W Cs5 O16T 90.1(9) 2_345 2_345 ?
O12W Cs5 O16T 69.1(11) 1_465 2_345 ?
O11T Cs5 O16T 160.6(9) . 2_345 ?
O10W Cs5 O23Y 136.0(11) 2_445 1_465 ?
O5W Cs5 O23Y 82.9(10) 2_345 1_465 ?
O12W Cs5 O23Y 68.8(13) 1_465 1_465 ?
O11T Cs5 O23Y 102.9(7) . 1_465 ?
O16T Cs5 O23Y 62.9(6) 2_345 1_465 ?
O13W Cs6 O8W 57.3(14) 1_655 2_446 ?
O13W Cs6 O14 123.5(14) 1_655 . ?
O8W Cs6 O14 123.2(9) 2_446 . ?
O13W Cs6 O11Y 69.3(13) 1_655 . ?
O8W Cs6 O11Y 126.6(11) 2_446 . ?
O14 Cs6 O11Y 87.5(7) . . ?
O13W Cs6 O11Y 128.2(14) 1_655 2_446 ?
O8W Cs6 O11Y 84.8(9) 2_446 2_446 ?
O14 Cs6 O11Y 106.0(9) . 2_446 ?
O11Y Cs6 O11Y 131.5(7) . 2_446 ?
O13W Cs6 O1Y1 115.7(14) 1_655 . ?
O8W Cs6 O1Y1 164.2(10) 2_446 . ?
O14 Cs6 O1Y1 46.2(5) . . ?
O11Y Cs6 O1Y1 49.9(6) . . ?
O11Y Cs6 O1Y1 108.7(9) 2_446 . ?
O13W Cs6 O1Y1 80.5(13) 1_655 2_446 ?
O8W Cs6 O1Y1 62.6(8) 2_446 2_446 ?
O14 Cs6 O1Y1 155.4(9) . 2_446 ?
O11Y Cs6 O1Y1 108.1(7) . 2_446 ?
O11Y Cs6 O1Y1 49.4(6) 2_446 2_446 ?
O1Y1 Cs6 O1Y1 132.5(7) . 2_446 ?
O13W Cs6 O34 81.5(13) 1_655 . ?
O8W Cs6 O34 90.6(8) 2_446 . ?
O14 Cs6 O34 44.3(5) . . ?
O11Y Cs6 O34 83.9(6) . . ?
O11Y Cs6 O34 137.5(8) 2_446 . ?
O1Y1 Cs6 O34 74.0(6) . . ?
O1Y1 Cs6 O34 152.9(9) 2_446 . ?
O21Y K1 O6W 107.6(13) . 1_645 ?
O21Y K1 O10T 128.4(13) . 1_545 ?
O6W K1 O10T 123.9(12) 1_645 1_545 ?
O21Y K1 O15T 109.4(10) . 2_435 ?
O6W K1 O15T 68.9(10) 1_645 2_435 ?
O10T K1 O15T 93.1(9) 1_545 2_435 ?
Cs3 O1W Cs1 100.9(8) 1_655 2_446 ?
Cs6 O13W Cs3 135(2) 1_455 . ?
Cs6 O13W Cs1A 108.9(17) 1_455 2_346 ?
Cs3 O13W Cs1A 114.2(19) . 2_346 ?

_refine_diff_density_max         3.123
_refine_diff_density_min         -3.355
_refine_diff_density_rms         0.583



