# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1

# start Validation Reply Form
_vrf_PLAT201_1                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 61 Report 
RESPONSE: Due to the large structure and the existence of a large 
 amount of weight atoms, the intensity data are not very good, 
 leading to the ADP max/min ratio of many C and O atoms, 
 and it is very difficult to refine this large structure, therefore,
 in the final refinement, the W, As, lanthanoid, 
 and K atoms were refined anisotropically;
 the O and C atoms were refined isotropically.
;

_vrf_PLAT430_1                   
;
PROBLEM: Short Inter D...A Contact O1 .. O17W .. 2.53 Ang.
RESPONSE: In the crystal structure, there are a number of short connections
 between  Ow(H2O) and O(POM) in the range 2.50-2.90 Ang,
 which indicate extensive H bonding interactions among them. 
 Some shorter connections between Ow(H2O) or O(POM) result from
 the disordered water molecules. 
;

_vrf_PLAT043_1                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by .. 71.38 Check
RESPONSE: H atoms on the water molecules are not present in the refined
 structure but they obvioulsy must be counted.
;

_vrf_PLAT220_1                   
;
PROBLEM: Large Non-Solvent O Ueq(max)/Ueq(min) Range 10.0 Ratio
RESPONSE: In polyoxometalate(POM) compounds, the Ueq of oxygen atoms in
 the POM skeleton is small due to multiple covalent bonds,
 whereas the Ueq of these dissociative water
 oxygen atoms is biggish without the constraint of covalent bonds. 
;

_vrf_PLAT306_1                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O2W Check
RESPONSE: The hydrogen atoms of the water molecules could not be directly 
 located from the difference Fourier maps because of the presence of too many
 heavy atoms in the structures.
;

_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.0267 Ang.
RESPONSE: The alert derives from shading of reciprocal space
 by the pressure cell, and it is unavoidable in high pressure
 crystal structure determinations.
;
# end Validation Reply Form

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H72 As2 Ho4 K13 Li O118 W18'
_chemical_formula_weight         6786.58

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9933(11)
_cell_length_b                   15.2025(13)
_cell_length_c                   19.8114(17)
_cell_angle_alpha                105.2820(10)
_cell_angle_beta                 101.371(2)
_cell_angle_gamma                107.5420(10)
_cell_volume                     3168.6(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5092
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      28.32

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3017
_exptl_absorpt_coefficient_mu    19.786
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0832
_exptl_absorpt_correction_T_max  0.0976
_exptl_absorpt_process_details   
;
 SADABS v.2.10 (Bruker, 2003) was used for 
 absorption correction. Estimated minimum and maximum transmission: 0.3153 
 and 0.7457. The Ratio of minimum to maximum transmission is 0.4228. 
 The λ/2 correction factor is 0.0015."
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16247
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0761
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11069
_reflns_number_gt                8537
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0647P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11069
_refine_ls_number_parameters     466
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0483
_refine_ls_wR_factor_ref         0.1294
_refine_ls_wR_factor_gt          0.1185
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.51468(6) -0.06977(5) 0.77079(3) 0.01722(15) Uani 1 1 d . . .
W2 W 0.78076(6) -0.10001(5) 0.80483(3) 0.01803(16) Uani 1 1 d . . .
W3 W 0.71055(6) 0.04053(5) 0.94309(3) 0.01641(15) Uani 1 1 d . . .
W4 W 1.06715(6) 0.10266(5) 0.83922(3) 0.01897(16) Uani 1 1 d . . .
W5 W 1.00535(5) 0.24759(5) 0.98096(3) 0.01591(15) Uani 1 1 d . . .
W6 W 1.07398(6) 0.32640(5) 0.84314(4) 0.01961(16) Uani 1 1 d . . .
W7 W 0.70859(5) 0.28085(5) 0.93704(3) 0.01496(15) Uani 1 1 d . . .
W8 W 0.78070(6) 0.36521(5) 0.80480(3) 0.01810(16) Uani 1 1 d . . .
W9 W 0.51428(5) 0.16984(4) 0.76175(3) 0.01465(15) Uani 1 1 d . . .
Ho1 Ho 0.50521(6) -0.03413(5) 0.58335(4) 0.01615(17) Uani 1 1 d . . .
Ho2 Ho 0.62820(7) 0.22580(5) 0.60828(4) 0.02017(18) Uani 1 1 d . . .
As1 As 0.78509(13) 0.12341(11) 0.78449(8) 0.0117(3) Uani 1 1 d . . .
K1 K 1.0000 0.0000 1.0000 0.0361(14) Uani 1 2 d S . .
K2 K 1.0000 0.5000 1.0000 0.0383(15) Uani 1 2 d S . .
K3 K 0.1226(5) 0.1715(4) 0.6637(3) 0.0591(14) Uani 1 1 d . . .
K4 K 0.4221(4) 0.1148(4) 0.9325(3) 0.0544(14) Uani 1 1 d . . .
K5 K 0.4438(5) 0.5478(4) 0.9308(3) 0.0655(16) Uani 1 1 d . . .
K6 K 0.2022(6) -0.0408(5) 0.7161(3) 0.0509(17) Uani 0.75 1 d P . .
K7 K 0.6839(6) 0.6192(4) 0.8296(3) 0.0508(17) Uani 0.75 1 d P . .
K8 K 0.9464(3) 0.3065(3) 0.6632(2) 0.0276(8) Uani 1 1 d . . .
O1 O 0.3652(11) -0.1514(8) 0.7476(6) 0.031(3) Uiso 1 1 d . . .
O2 O 0.6017(10) -0.1521(8) 0.7805(6) 0.025(3) Uiso 1 1 d . . .
O3 O 0.5491(10) -0.0311(8) 0.8802(5) 0.020(2) Uiso 1 1 d . . .
O4 O 0.5401(9) -0.0682(7) 0.6860(5) 0.019(2) Uiso 1 1 d . . .
O5 O 0.4854(9) 0.0532(7) 0.7843(5) 0.018(2) Uiso 1 1 d . . .
O6 O 0.7214(9) 0.0335(7) 0.8247(5) 0.016(2) Uiso 1 1 d . . .
O7 O 0.8091(11) -0.2043(8) 0.8070(6) 0.030(3) Uiso 1 1 d . . .
O8 O 0.7633(8) -0.0611(7) 0.9114(5) 0.011(2) Uiso 1 1 d . . .
O9 O 0.7803(11) -0.0993(8) 0.7162(6) 0.029(3) Uiso 1 1 d . . .
O10 O 0.9428(9) -0.0021(7) 0.8518(5) 0.019(2) Uiso 1 1 d . . .
O11 O 0.6905(10) 0.0308(8) 1.0257(6) 0.027(3) Uiso 1 1 d . . .
O12 O 0.8758(9) 0.1346(7) 0.9763(5) 0.018(2) Uiso 1 1 d . . .
O13 O 0.6689(9) 0.1568(7) 0.9460(5) 0.016(2) Uiso 1 1 d . . .
O14 O 1.1901(11) 0.0683(9) 0.8545(6) 0.035(3) Uiso 1 1 d . . .
O15 O 1.0106(11) 0.0607(8) 0.7446(6) 0.029(3) Uiso 1 1 d . . .
O16 O 1.0938(10) 0.1719(8) 0.9530(6) 0.022(2) Uiso 1 1 d . . .
O17 O 1.1567(10) 0.2392(8) 0.8469(6) 0.022(2) Uiso 1 1 d . . .
O18 O 0.9343(9) 0.1841(7) 0.8506(5) 0.014(2) Uiso 1 1 d . . .
O19 O 1.0758(10) 0.3003(8) 1.0732(6) 0.025(3) Uiso 1 1 d . . .
O20 O 1.0920(9) 0.3490(7) 0.9500(5) 0.020(2) Uiso 1 1 d . . .
O21 O 0.8729(9) 0.3014(7) 0.9700(5) 0.017(2) Uiso 1 1 d . . .
O22 O 1.1942(10) 0.4316(8) 0.8551(6) 0.028(3) Uiso 1 1 d . . .
O23 O 1.0039(10) 0.2712(8) 0.7441(6) 0.024(3) Uiso 1 1 d . . .
O24 O 0.9433(10) 0.3777(8) 0.8456(6) 0.025(3) Uiso 1 1 d . . .
O25 O 0.6842(10) 0.3460(8) 1.0148(6) 0.024(3) Uiso 1 1 d . . .
O26 O 0.7587(9) 0.3908(7) 0.8993(5) 0.017(2) Uiso 1 1 d . . .
O27 O 0.5496(9) 0.2412(7) 0.8683(5) 0.020(2) Uiso 1 1 d . . .
O28 O 0.7212(9) 0.2101(7) 0.8218(5) 0.013(2) Uiso 1 1 d . . .
O29 O 0.8037(10) 0.4794(8) 0.7969(6) 0.027(3) Uiso 1 1 d . . .
O30 O 0.6059(10) 0.3016(8) 0.7601(6) 0.023(2) Uiso 1 1 d . . .
O31 O 0.7913(10) 0.2886(8) 0.7136(6) 0.025(3) Uiso 1 1 d . . .
O32 O 0.3674(10) 0.1662(8) 0.7318(6) 0.026(3) Uiso 1 1 d . . .
O33 O 0.5467(10) 0.1193(8) 0.6777(5) 0.020(2) Uiso 1 1 d . . .
O34 O 0.6930(10) 0.0936(8) 0.5886(6) 0.026(3) Uiso 1 1 d . . .
O35 O 0.8742(13) 0.1240(10) 0.5675(7) 0.047(4) Uiso 1 1 d . . .
O36 O 0.6752(10) -0.0832(8) 0.5907(6) 0.027(3) Uiso 1 1 d . . .
O37 O 0.5499(9) -0.0747(7) 0.4684(5) 0.016(2) Uiso 1 1 d . . .
O38 O 0.5465(11) -0.2576(9) 0.4035(6) 0.031(3) Uiso 1 1 d . . .
O39 O 0.7501(12) -0.2061(9) 0.4361(7) 0.038(3) Uiso 1 1 d . . .
O40 O 0.6896(11) 0.3861(9) 0.6047(7) 0.035(3) Uiso 1 1 d . . .
O41 O 0.7530(16) 0.4715(12) 0.5357(9) 0.071(5) Uiso 1 1 d . . .
O42 O 0.8267(10) 0.2866(8) 0.5836(6) 0.028(3) Uiso 1 1 d . . .
O43 O 0.6050(10) 0.1965(8) 0.4831(6) 0.025(3) Uiso 1 1 d . . .
O44 O 0.6918(11) 0.0802(8) 0.4053(6) 0.029(3) Uiso 1 1 d . . .
O45 O 0.8543(13) 0.2017(10) 0.4117(7) 0.044(3) Uiso 1 1 d . . .
C1 C 0.7802(16) 0.0671(13) 0.5724(9) 0.028(4) Uiso 1 1 d . . .
C2 C 0.7485(15) -0.0397(11) 0.5492(8) 0.021(4) Uiso 1 1 d . . .
H2 H 0.8224 -0.0555 0.5531 0.025 Uiso 1 1 calc R . .
C3 C 0.6648(15) -0.0836(12) 0.4689(9) 0.025(4) Uiso 1 1 d . . .
H3 H 0.7025 -0.0450 0.4411 0.030 Uiso 1 1 calc R . .
C4 C 0.6529(16) -0.1919(13) 0.4338(9) 0.029(4) Uiso 1 1 d . . .
C5 C 0.7448(18) 0.4024(14) 0.5599(10) 0.037(5) Uiso 1 1 d . . .
C6 C 0.8002(15) 0.3256(12) 0.5286(9) 0.025(4) Uiso 1 1 d . . .
H6 H 0.8741 0.3564 0.5163 0.030 Uiso 1 1 calc R . .
C7 C 0.7016(16) 0.2425(13) 0.4610(9) 0.029(4) Uiso 1 1 d . . .
H7 H 0.6719 0.2721 0.4264 0.035 Uiso 1 1 calc R . .
C8 C 0.7562(16) 0.1728(12) 0.4231(9) 0.026(4) Uiso 1 1 d . . .
O1W O 0.6683(12) 0.5390(10) 0.9522(7) 0.044(3) Uiso 1 1 d . . .
O2W O 0.0527(16) 0.3373(12) 0.2232(9) 0.069(5) Uiso 1 1 d . . .
O3W O 0.0570(15) -0.0227(12) 0.5706(9) 0.069(5) Uiso 1 1 d . . .
O4W O 0.3366(17) 0.2329(13) 1.0430(10) 0.076(5) Uiso 1 1 d . . .
O5W O 0.5878(18) 0.6528(14) 1.0872(10) 0.083(6) Uiso 1 1 d . . .
O6W O 0.4207(16) 0.8123(12) 0.9163(9) 0.074(5) Uiso 1 1 d . . .
O7W O -0.053(2) -0.1489(17) 0.6530(13) 0.121(8) Uiso 1 1 d . . .
O8W O 0.479(2) 0.4365(19) 0.7795(14) 0.092(8) Uiso 0.75 1 d P . .
O9W O 0.008(3) 0.465(2) 0.6986(16) 0.107(9) Uiso 0.75 1 d P . .
O10W O 0.909(3) 0.709(3) 0.4916(19) 0.076(10) Uiso 0.50 1 d P . .
O11W O 0.232(4) 0.385(3) 0.697(2) 0.088(12) Uiso 0.50 1 d P . .
O12W O 0.673(3) 0.562(2) 0.6845(18) 0.070(9) Uiso 0.50 1 d P . .
O13W O 0.121(3) -0.154(3) 0.8204(19) 0.080(11) Uiso 0.50 1 d P . .
O14W O 0.423(4) 0.635(3) 0.824(2) 0.089(12) Uiso 0.50 1 d P . .
O15W O 0.884(3) 0.390(2) 0.1492(19) 0.075(10) Uiso 0.50 1 d P . .
O16W O 0.557(3) 0.708(2) 0.5833(18) 0.071(10) Uiso 0.50 1 d P . .
O17W O 0.779(5) 0.306(3) 0.244(3) 0.122 Uiso 0.50 1 d P . .
O18W O 0.826(5) 0.496(4) 0.412(3) 0.130(17) Uiso 0.50 1 d P . .
O19W O 0.013(5) 0.638(4) 0.625(3) 0.129(17) Uiso 0.50 1 d P . .
O20W O 0.395(6) 0.425(4) 0.607(3) 0.16(2) Uiso 0.50 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
W1 O1 1.732(12) . ?
W1 O4 1.771(10) . ?
W1 O2 1.878(11) . ?
W1 O5 1.965(10) . ?
W1 O3 2.011(10) . ?
W1 O6 2.341(10) . ?
W1 K6 3.880(6) . ?
W2 O7 1.728(11) . ?
W2 O9 1.757(11) . ?
W2 O10 1.916(10) . ?
W2 O2 1.959(11) . ?
W2 O8 2.107(9) . ?
W2 O6 2.311(9) . ?
W2 K1 3.8286(7) . ?
W3 O11 1.738(11) . ?
W3 O8 1.849(9) . ?
W3 O3 1.884(10) . ?
W3 O12 1.920(10) . ?
W3 O13 1.966(10) . ?
W3 O6 2.350(10) . ?
W3 K1 3.7167(7) . ?
W3 K4 3.934(5) . ?
W3 K4 4.065(4) 2_657 ?
W4 O14 1.706(12) . ?
W4 O15 1.730(11) . ?
W4 O10 1.936(10) . ?
W4 O17 1.978(11) . ?
W4 O16 2.135(10) . ?
W4 O18 2.303(9) . ?
W4 K6 3.771(6) 1_655 ?
W4 K3 4.005(5) 1_655 ?
W4 K1 4.0131(7) . ?
W5 O19 1.705(11) . ?
W5 O16 1.840(10) . ?
W5 O20 1.901(11) . ?
W5 O12 1.905(10) . ?
W5 O21 1.995(10) . ?
W5 O18 2.377(9) . ?
W5 K2 3.7770(7) . ?
W5 K1 3.8635(7) . ?
W6 O22 1.723(12) . ?
W6 O23 1.821(11) . ?
W6 O17 1.887(10) . ?
W6 O24 1.953(11) . ?
W6 O20 2.010(10) . ?
W6 O18 2.364(10) . ?
W6 K8 3.484(4) . ?
W6 K2 3.9478(7) . ?
W6 K3 3.969(5) 1_655 ?
W7 O25 1.728(11) . ?
W7 O21 1.850(10) . ?
W7 O13 1.867(10) . ?
W7 O27 1.925(10) . ?
W7 O26 1.986(10) . ?
W7 O28 2.309(9) . ?
W7 K4 3.566(4) . ?
W7 K2 3.7339(7) . ?
W8 O29 1.727(11) . ?
W8 O24 1.889(11) . ?
W8 O26 1.897(10) . ?
W8 O30 1.925(11) . ?
W8 O31 1.925(11) . ?
W8 O28 2.384(9) . ?
W8 K8 3.815(4) . ?
W8 K2 3.8256(7) . ?
W9 O32 1.723(11) . ?
W9 O33 1.810(10) . ?
W9 O5 1.890(10) . ?
W9 O30 1.986(11) . ?
W9 O27 1.994(10) . ?
W9 O28 2.342(9) . ?
W9 K6 3.872(7) . ?
W9 K4 3.972(5) . ?
Ho1 O4 2.219(10) . ?
Ho1 O43 2.282(11) 2_656 ?
Ho1 O44 2.328(12) 2_656 ?
Ho1 O37 2.348(10) 2_656 ?
Ho1 O36 2.365(11) . ?
Ho1 O37 2.407(10) . ?
Ho1 O33 2.412(10) . ?
Ho1 O34 2.453(11) . ?
Ho1 Ho2 3.6339(11) . ?
Ho1 Ho1 3.7044(14) 2_656 ?
Ho1 Ho2 3.7984(10) 2_656 ?
Ho2 O38 2.271(12) 2_656 ?
Ho2 O31 2.303(11) . ?
Ho2 O34 2.333(11) . ?
Ho2 O43 2.345(11) . ?
Ho2 O40 2.349(12) . ?
Ho2 O37 2.464(10) 2_656 ?
Ho2 O42 2.476(12) . ?
Ho2 O33 2.494(11) . ?
Ho2 K8 3.477(4) . ?
Ho2 Ho1 3.7984(10) 2_656 ?
As1 O28 1.786(9) . ?
As1 O18 1.793(10) . ?
As1 O6 1.809(10) . ?
K1 O8 2.755(9) . ?
K1 O8 2.755(9) 2_757 ?
K1 O10 2.869(10) . ?
K1 O10 2.869(10) 2_757 ?
K1 O12 2.948(10) . ?
K1 O12 2.948(10) 2_757 ?
K1 O16 2.980(11) . ?
K1 O16 2.980(11) 2_757 ?
K1 W3 3.7167(7) 2_757 ?
K1 W2 3.8286(7) 2_757 ?
K2 O21 2.777(10) 2_767 ?
K2 O21 2.777(10) . ?
K2 O26 2.862(10) . ?
K2 O26 2.862(10) 2_767 ?
K2 O20 2.869(10) 2_767 ?
K2 O20 2.869(10) . ?
K2 O24 2.949(11) 2_767 ?
K2 O24 2.949(11) . ?
K2 W7 3.7339(7) 2_767 ?
K2 W5 3.7770(7) 2_767 ?
K3 O39 2.789(14) 2_656 ?
K3 O23 2.790(12) 1_455 ?
K3 O3W 2.811(17) . ?
K3 O15 2.849(13) 1_455 ?
K3 O11W 2.94(4) . ?
K3 O35 2.962(15) 1_455 ?
K3 O32 3.014(12) . ?
K3 K8 3.361(6) 1_455 ?
K3 O17 3.405(11) 1_455 ?
K3 K6 3.955(9) . ?
K3 W6 3.969(5) 1_455 ?
K3 W4 4.005(5) 1_455 ?
K4 O11 2.648(12) 2_657 ?
K4 O14 2.679(13) 1_455 ?
K4 O13 2.774(11) . ?
K4 O27 2.817(11) . ?
K4 O6W 2.918(18) 2_667 ?
K4 O4W 2.998(18) . ?
K4 O3 3.124(11) . ?
K4 O5 3.151(11) . ?
K4 W3 4.065(4) 2_657 ?
K5 O1W 2.692(14) . ?
K5 O25 2.712(12) 2_667 ?
K5 O14W 2.79(4) . ?
K5 O22 2.824(13) 1_455 ?
K5 O5W 2.87(2) 2_667 ?
K5 O5W 2.957(19) . ?
K5 O8W 3.21(3) . ?
K5 O1W 3.269(15) 2_667 ?
K5 O4W 3.40(2) 2_667 ?
K5 K5 3.642(12) 2_667 ?
K5 K7 3.877(9) . ?
K5 K4 4.714(8) 2_667 ?
K6 O45 2.813(14) 2_656 ?
K6 O7W 2.83(3) . ?
K6 O14 2.864(13) 1_455 ?
K6 O44 2.943(13) 2_656 ?
K6 O1 3.014(13) . ?
K6 O32 3.066(13) . ?
K6 O5 3.107(12) . ?
K6 O13W 3.14(4) . ?
K6 C8 3.178(17) 2_656 ?
K6 O3W 3.184(17) . ?
K6 O15 3.189(13) 1_455 ?
K6 W4 3.771(6) 1_455 ?
K7 O12W 2.74(3) . ?
K7 O19 2.820(12) 2_767 ?
K7 O7 2.851(13) 1_565 ?
K7 O8W 2.87(3) . ?
K7 O29 2.913(13) . ?
K7 O1W 3.004(14) . ?
K7 O4W 3.012(18) 2_667 ?
K7 O14W 3.20(4) . ?
K8 O42 1.799(11) . ?
K8 O23 1.890(11) . ?
K8 O9W 2.16(3) 1_655 ?
K8 O31 2.258(12) . ?
K8 O35 2.679(14) . ?
K8 C6 3.024(16) . ?
K8 O11W 3.13(4) 1_655 ?
K8 C1 3.350(18) . ?
K8 K3 3.361(6) 1_655 ?
K8 O34 3.417(12) . ?
O7 K7 2.851(13) 1_545 ?
O11 K4 2.648(12) 2_657 ?
O14 K4 2.679(13) 1_655 ?
O14 K6 2.864(13) 1_655 ?
O15 K3 2.849(13) 1_655 ?
O15 K6 3.189(13) 1_655 ?
O17 K3 3.405(11) 1_655 ?
O19 K7 2.820(12) 2_767 ?
O22 K5 2.824(12) 1_655 ?
O23 K3 2.790(12) 1_655 ?
O25 K5 2.712(12) 2_667 ?
O34 C1 1.296(19) . ?
O35 C1 1.24(2) . ?
O35 K3 2.962(15) 1_655 ?
O36 C2 1.452(18) . ?
O37 C3 1.423(18) . ?
O37 Ho1 2.348(9) 2_656 ?
O37 Ho2 2.464(10) 2_656 ?
O38 C4 1.27(2) . ?
O38 Ho2 2.271(12) 2_656 ?
O39 C4 1.24(2) . ?
O39 K3 2.789(13) 2_656 ?
O40 C5 1.24(2) . ?
O41 C5 1.25(2) . ?
O42 C6 1.398(18) . ?
O43 C7 1.38(2) . ?
O43 Ho1 2.282(11) 2_656 ?
O44 C8 1.30(2) . ?
O44 Ho1 2.328(12) 2_656 ?
O44 K6 2.943(13) 2_656 ?
O45 C8 1.21(2) . ?
O45 K6 2.813(14) 2_656 ?
C1 C2 1.47(2) . ?
C2 C3 1.55(2) . ?
C2 H2 0.9800 . ?
C3 C4 1.56(2) . ?
C3 H3 0.9800 . ?
C5 C6 1.56(2) . ?
C6 C7 1.54(2) . ?
C6 H6 0.9800 . ?
C7 C8 1.52(2) . ?
C7 H7 0.9800 . ?
C8 K6 3.178(17) 2_656 ?
O1W K5 3.269(15) 2_667 ?
O4W K7 3.012(18) 2_667 ?
O4W K5 3.402(19) 2_667 ?
O5W K5 2.87(2) 2_667 ?
O6W K4 2.918(18) 2_667 ?
O9W K8 2.16(3) 1_455 ?
O11W K8 3.13(4) 1_455 ?

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
O1 W1 O4 105.0(5) . . ?
O1 W1 O2 101.0(5) . . ?
O4 W1 O2 92.6(5) . . ?
O1 W1 O5 99.4(5) . . ?
O4 W1 O5 89.8(4) . . ?
O2 W1 O5 158.1(5) . . ?
O1 W1 O3 96.7(5) . . ?
O4 W1 O3 158.2(5) . . ?
O2 W1 O3 85.3(4) . . ?
O5 W1 O3 84.4(4) . . ?
O1 W1 O6 168.1(4) . . ?
O4 W1 O6 86.1(4) . . ?
O2 W1 O6 73.8(4) . . ?
O5 W1 O6 84.7(4) . . ?
O3 W1 O6 72.5(4) . . ?
O1 W1 K6 48.1(4) . . ?
O4 W1 K6 92.5(3) . . ?
O2 W1 K6 148.9(4) . . ?
O5 W1 K6 52.6(3) . . ?
O3 W1 K6 100.5(3) . . ?
O6 W1 K6 137.3(3) . . ?
O7 W2 O9 103.6(5) . . ?
O7 W2 O10 100.2(5) . . ?
O9 W2 O10 94.6(5) . . ?
O7 W2 O2 99.9(5) . . ?
O9 W2 O2 94.2(5) . . ?
O10 W2 O2 155.3(4) . . ?
O7 W2 O8 95.4(4) . . ?
O9 W2 O8 160.9(4) . . ?
O10 W2 O8 83.7(4) . . ?
O2 W2 O8 80.4(4) . . ?
O7 W2 O6 165.7(5) . . ?
O9 W2 O6 89.5(4) . . ?
O10 W2 O6 84.0(4) . . ?
O2 W2 O6 73.1(4) . . ?
O8 W2 O6 71.3(3) . . ?
O7 W2 K1 80.7(4) . . ?
O9 W2 K1 140.4(4) . . ?
O10 W2 K1 46.5(3) . . ?
O2 W2 K1 124.2(3) . . ?
O8 W2 K1 44.5(3) . . ?
O6 W2 K1 92.8(2) . . ?
O11 W3 O8 101.3(5) . . ?
O11 W3 O3 100.4(5) . . ?
O8 W3 O3 93.7(4) . . ?
O11 W3 O12 100.7(5) . . ?
O8 W3 O12 90.8(4) . . ?
O3 W3 O12 157.2(4) . . ?
O11 W3 O13 99.0(5) . . ?
O8 W3 O13 159.6(4) . . ?
O3 W3 O13 84.8(4) . . ?
O12 W3 O13 83.2(4) . . ?
O11 W3 O6 173.0(4) . . ?
O8 W3 O6 74.8(4) . . ?
O3 W3 O6 74.4(4) . . ?
O12 W3 O6 85.3(4) . . ?
O13 W3 O6 85.2(4) . . ?
O11 W3 K1 86.0(4) . . ?
O8 W3 K1 45.4(3) . . ?
O3 W3 K1 138.8(3) . . ?
O12 W3 K1 51.9(3) . . ?
O13 W3 K1 134.7(3) . . ?
O6 W3 K1 95.0(2) . . ?
O11 W3 K4 82.7(4) . . ?
O8 W3 K4 144.6(3) . . ?
O3 W3 K4 51.3(3) . . ?
O12 W3 K4 123.3(3) . . ?
O13 W3 K4 41.2(3) . . ?
O6 W3 K4 97.1(2) . . ?
K1 W3 K4 166.55(8) . . ?
O11 W3 K4 27.5(4) . 2_657 ?
O8 W3 K4 83.1(3) . 2_657 ?
O3 W3 K4 81.2(3) . 2_657 ?
O12 W3 K4 121.6(3) . 2_657 ?
O13 W3 K4 116.7(3) . 2_657 ?
O6 W3 K4 145.6(3) . 2_657 ?
K1 W3 K4 87.53(6) . 2_657 ?
K4 W3 K4 85.86(9) . 2_657 ?
O14 W4 O15 103.3(5) . . ?
O14 W4 O10 101.2(5) . . ?
O15 W4 O10 95.4(5) . . ?
O14 W4 O17 97.9(5) . . ?
O15 W4 O17 94.0(5) . . ?
O10 W4 O17 156.2(4) . . ?
O14 W4 O16 94.1(5) . . ?
O15 W4 O16 162.5(5) . . ?
O10 W4 O16 82.2(4) . . ?
O17 W4 O16 82.3(4) . . ?
O14 W4 O18 163.5(5) . . ?
O15 W4 O18 91.4(4) . . ?
O10 W4 O18 84.7(4) . . ?
O17 W4 O18 73.2(4) . . ?
O16 W4 O18 71.2(4) . . ?
O14 W4 K6 46.0(4) . 1_655 ?
O15 W4 K6 57.3(4) . 1_655 ?
O10 W4 K6 101.3(3) . 1_655 ?
O17 W4 K6 102.2(3) . 1_655 ?
O16 W4 K6 140.1(3) . 1_655 ?
O18 W4 K6 148.4(3) . 1_655 ?
O14 W4 K3 94.8(4) . 1_655 ?
O15 W4 K3 38.0(4) . 1_655 ?
O10 W4 K3 133.3(3) . 1_655 ?
O17 W4 K3 58.2(3) . 1_655 ?
O16 W4 K3 140.2(3) . 1_655 ?
O18 W4 K3 92.1(2) . 1_655 ?
K6 W4 K3 61.06(13) 1_655 1_655 ?
O14 W4 K1 82.9(4) . . ?
O15 W4 K1 136.2(4) . . ?
O10 W4 K1 41.6(3) . . ?
O17 W4 K1 128.5(3) . . ?
O16 W4 K1 46.6(3) . . ?
O18 W4 K1 91.8(2) . . ?
K6 W4 K1 113.43(11) 1_655 . ?
K3 W4 K1 173.14(8) 1_655 . ?
O19 W5 O16 101.4(5) . . ?
O19 W5 O20 99.5(5) . . ?
O16 W5 O20 93.0(5) . . ?
O19 W5 O12 101.1(5) . . ?
O16 W5 O12 90.6(4) . . ?
O20 W5 O12 158.0(4) . . ?
O19 W5 O21 101.0(5) . . ?
O16 W5 O21 157.5(4) . . ?
O20 W5 O21 85.5(4) . . ?
O12 W5 O21 82.9(4) . . ?
O19 W5 O18 172.1(5) . . ?
O16 W5 O18 74.5(4) . . ?
O20 W5 O18 74.2(4) . . ?
O12 W5 O18 85.9(4) . . ?
O21 W5 O18 83.6(4) . . ?
O19 W5 K2 83.0(4) . . ?
O16 W5 K2 140.4(3) . . ?
O20 W5 K2 47.8(3) . . ?
O12 W5 K2 127.6(3) . . ?
O21 W5 K2 45.7(3) . . ?
O18 W5 K2 95.9(2) . . ?
O19 W5 K1 87.5(4) . . ?
O16 W5 K1 48.5(3) . . ?
O20 W5 K1 141.4(3) . . ?
O12 W5 K1 47.9(3) . . ?
O21 W5 K1 130.7(3) . . ?
O18 W5 K1 94.4(2) . . ?
K2 W5 K1 168.377(18) . . ?
O22 W6 O23 104.3(5) . . ?
O22 W6 O17 100.4(5) . . ?
O23 W6 O17 93.8(5) . . ?
O22 W6 O24 100.2(5) . . ?
O23 W6 O24 87.0(5) . . ?
O17 W6 O24 158.5(5) . . ?
O22 W6 O20 96.9(5) . . ?
O23 W6 O20 158.4(5) . . ?
O17 W6 O20 86.7(4) . . ?
O24 W6 O20 84.8(4) . . ?
O22 W6 O18 167.9(4) . . ?
O23 W6 O18 86.6(4) . . ?
O17 W6 O18 73.3(4) . . ?
O24 W6 O18 85.3(4) . . ?
O20 W6 O18 72.7(4) . . ?
O22 W6 K8 90.6(4) . . ?
O23 W6 K8 20.5(3) . . ?
O17 W6 K8 111.7(3) . . ?
O24 W6 K8 74.2(3) . . ?
O20 W6 K8 158.6(3) . . ?
O18 W6 K8 101.3(2) . . ?
O22 W6 K2 84.6(4) . . ?
O23 W6 K2 132.9(3) . . ?
O17 W6 K2 130.6(3) . . ?
O24 W6 K2 46.0(3) . . ?
O20 W6 K2 44.1(3) . . ?
O18 W6 K2 91.8(2) . . ?
K8 W6 K2 117.44(7) . . ?
O22 W6 K3 93.3(4) . 1_655 ?
O23 W6 K3 38.7(3) . 1_655 ?
O17 W6 K3 59.0(3) . 1_655 ?
O24 W6 K3 125.7(3) . 1_655 ?
O20 W6 K3 145.5(3) . 1_655 ?
O18 W6 K3 92.1(2) . 1_655 ?
K8 W6 K3 53.13(10) . 1_655 ?
K2 W6 K3 170.41(8) . 1_655 ?
O25 W7 O21 102.3(5) . . ?
O25 W7 O13 100.8(5) . . ?
O21 W7 O13 89.1(4) . . ?
O25 W7 O27 99.0(5) . . ?
O21 W7 O27 158.3(4) . . ?
O13 W7 O27 91.3(4) . . ?
O25 W7 O26 96.9(5) . . ?
O21 W7 O26 87.5(4) . . ?
O13 W7 O26 162.3(4) . . ?
O27 W7 O26 85.6(4) . . ?
O25 W7 O28 168.5(4) . . ?
O21 W7 O28 85.5(4) . . ?
O13 W7 O28 87.6(4) . . ?
O27 W7 O28 72.8(4) . . ?
O26 W7 O28 74.8(4) . . ?
O25 W7 K4 78.2(4) . . ?
O21 W7 K4 137.7(3) . . ?
O13 W7 K4 50.3(3) . . ?
O27 W7 K4 51.8(3) . . ?
O26 W7 K4 134.7(3) . . ?
O28 W7 K4 101.8(3) . . ?
O25 W7 K2 83.0(4) . . ?
O21 W7 K2 45.7(3) . . ?
O13 W7 K2 133.5(3) . . ?
O27 W7 K2 134.3(3) . . ?
O26 W7 K2 49.2(3) . . ?
O28 W7 K2 96.8(2) . . ?
K4 W7 K2 161.22(10) . . ?
O29 W8 O24 101.3(5) . . ?
O29 W8 O26 99.4(5) . . ?
O24 W8 O26 89.9(4) . . ?
O29 W8 O30 100.3(5) . . ?
O24 W8 O30 158.1(5) . . ?
O26 W8 O30 90.2(4) . . ?
O29 W8 O31 103.8(5) . . ?
O24 W8 O31 86.0(5) . . ?
O26 W8 O31 156.8(4) . . ?
O30 W8 O31 85.3(5) . . ?
O29 W8 O28 170.7(4) . . ?
O24 W8 O28 85.8(4) . . ?
O26 W8 O28 74.5(4) . . ?
O30 W8 O28 73.2(4) . . ?
O31 W8 O28 82.4(4) . . ?
O29 W8 K8 90.6(4) . . ?
O24 W8 K8 65.9(3) . . ?
O26 W8 K8 155.3(3) . . ?
O30 W8 K8 110.2(3) . . ?
O31 W8 K8 26.4(3) . . ?
O28 W8 K8 97.8(2) . . ?
O29 W8 K2 87.2(4) . . ?
O24 W8 K2 48.9(3) . . ?
O26 W8 K2 46.2(3) . . ?
O30 W8 K2 136.4(3) . . ?
O31 W8 K2 134.8(3) . . ?
O28 W8 K2 93.2(2) . . ?
K8 W8 K2 112.58(6) . . ?
O32 W9 O33 103.6(5) . . ?
O32 W9 O5 101.7(5) . . ?
O33 W9 O5 93.8(4) . . ?
O32 W9 O30 98.7(5) . . ?
O33 W9 O30 86.9(5) . . ?
O5 W9 O30 158.9(4) . . ?
O32 W9 O27 98.2(5) . . ?
O33 W9 O27 157.5(4) . . ?
O5 W9 O27 87.3(4) . . ?
O30 W9 O27 84.2(4) . . ?
O32 W9 O28 166.7(4) . . ?
O33 W9 O28 86.6(4) . . ?
O5 W9 O28 85.8(4) . . ?
O30 W9 O28 73.1(4) . . ?
O27 W9 O28 71.0(4) . . ?
O32 W9 K6 50.1(4) . . ?
O33 W9 K6 95.9(4) . . ?
O5 W9 K6 52.5(3) . . ?
O30 W9 K6 148.5(3) . . ?
O27 W9 K6 102.4(3) . . ?
O28 W9 K6 138.3(3) . . ?
O32 W9 K4 85.9(4) . . ?
O33 W9 K4 144.9(3) . . ?
O5 W9 K4 51.1(3) . . ?
O30 W9 K4 125.6(3) . . ?
O27 W9 K4 41.8(3) . . ?
O28 W9 K4 90.5(2) . . ?
K6 W9 K4 64.18(12) . . ?
O4 Ho1 O43 90.7(4) . 2_656 ?
O4 Ho1 O44 80.1(4) . 2_656 ?
O43 Ho1 O44 69.4(4) 2_656 2_656 ?
O4 Ho1 O37 143.8(3) . 2_656 ?
O43 Ho1 O37 114.6(4) 2_656 2_656 ?
O44 Ho1 O37 85.0(4) 2_656 2_656 ?
O4 Ho1 O36 73.0(4) . . ?
O43 Ho1 O36 83.8(4) 2_656 . ?
O44 Ho1 O36 141.6(4) 2_656 . ?
O37 Ho1 O36 132.2(4) 2_656 . ?
O4 Ho1 O37 137.4(3) . . ?
O43 Ho1 O37 70.7(4) 2_656 . ?
O44 Ho1 O37 124.1(4) 2_656 . ?
O37 Ho1 O37 77.7(4) 2_656 . ?
O36 Ho1 O37 67.3(3) . . ?
O4 Ho1 O33 76.7(4) . . ?
O43 Ho1 O33 153.7(4) 2_656 . ?
O44 Ho1 O33 85.6(4) 2_656 . ?
O37 Ho1 O33 69.4(3) 2_656 . ?
O36 Ho1 O33 113.4(4) . . ?
O37 Ho1 O33 133.3(3) . . ?
O4 Ho1 O34 108.0(4) . . ?
O43 Ho1 O34 137.2(4) 2_656 . ?
O44 Ho1 O34 150.0(4) 2_656 . ?
O37 Ho1 O34 71.5(3) 2_656 . ?
O36 Ho1 O34 66.5(4) . . ?
O37 Ho1 O34 69.6(3) . . ?
O33 Ho1 O34 69.1(4) . . ?
O4 Ho1 Ho2 114.7(3) . . ?
O43 Ho1 Ho2 154.4(3) 2_656 . ?
O44 Ho1 Ho2 110.7(3) 2_656 . ?
O37 Ho1 Ho2 42.2(2) 2_656 . ?
O36 Ho1 Ho2 105.3(3) . . ?
O37 Ho1 Ho2 90.5(2) . . ?
O33 Ho1 Ho2 43.1(2) . . ?
O34 Ho1 Ho2 39.4(2) . . ?
O4 Ho1 Ho1 171.8(3) . 2_656 ?
O43 Ho1 Ho1 92.8(3) 2_656 2_656 ?
O44 Ho1 Ho1 108.0(3) 2_656 2_656 ?
O37 Ho1 Ho1 39.4(2) 2_656 2_656 ?
O36 Ho1 Ho1 100.1(3) . 2_656 ?
O37 Ho1 Ho1 38.3(2) . 2_656 ?
O33 Ho1 Ho1 102.9(2) . 2_656 ?
O34 Ho1 Ho1 64.7(2) . 2_656 ?
Ho2 Ho1 Ho1 62.33(2) . 2_656 ?
O4 Ho1 Ho2 124.4(3) . 2_656 ?
O43 Ho1 Ho2 35.4(3) 2_656 2_656 ?
O44 Ho1 Ho2 87.9(3) 2_656 2_656 ?
O37 Ho1 Ho2 87.5(2) 2_656 2_656 ?
O36 Ho1 Ho2 85.4(3) . 2_656 ?
O37 Ho1 Ho2 39.3(2) . 2_656 ?
O33 Ho1 Ho2 156.4(2) . 2_656 ?
O34 Ho1 Ho2 108.8(2) . 2_656 ?
Ho2 Ho1 Ho2 120.26(2) . 2_656 ?
Ho1 Ho1 Ho2 57.92(2) 2_656 2_656 ?
O38 Ho2 O31 125.8(4) 2_656 . ?
O38 Ho2 O34 140.5(4) 2_656 . ?
O31 Ho2 O34 81.6(4) . . ?
O38 Ho2 O43 90.5(4) 2_656 . ?
O31 Ho2 O43 135.7(4) . . ?
O34 Ho2 O43 83.9(4) . . ?
O38 Ho2 O40 76.5(4) 2_656 . ?
O31 Ho2 O40 86.1(4) . . ?
O34 Ho2 O40 139.1(4) . . ?
O43 Ho2 O40 78.2(4) . . ?
O38 Ho2 O37 70.1(4) 2_656 2_656 ?
O31 Ho2 O37 141.8(4) . 2_656 ?
O34 Ho2 O37 71.5(4) . 2_656 ?
O43 Ho2 O37 68.7(4) . 2_656 ?
O40 Ho2 O37 131.8(4) . 2_656 ?
O38 Ho2 O42 137.8(4) 2_656 . ?
O31 Ho2 O42 68.3(4) . . ?
O34 Ho2 O42 75.0(4) . . ?
O43 Ho2 O42 67.5(4) . . ?
O40 Ho2 O42 64.3(4) . . ?
O37 Ho2 O42 126.6(3) 2_656 . ?
O38 Ho2 O33 86.8(4) 2_656 . ?
O31 Ho2 O33 79.3(4) . . ?
O34 Ho2 O33 69.7(4) . . ?
O43 Ho2 O33 133.0(4) . . ?
O40 Ho2 O33 145.3(4) . . ?
O37 Ho2 O33 66.3(3) 2_656 . ?
O42 Ho2 O33 134.8(3) . . ?
O38 Ho2 K8 150.6(3) 2_656 . ?
O31 Ho2 K8 39.9(3) . . ?
O34 Ho2 K8 68.8(3) . . ?
O43 Ho2 K8 95.9(3) . . ?
O40 Ho2 K8 76.8(3) . . ?
O37 Ho2 K8 138.8(2) 2_656 . ?
O42 Ho2 K8 29.5(3) . . ?
O33 Ho2 K8 108.9(2) . . ?
O38 Ho2 Ho1 100.0(3) 2_656 . ?
O31 Ho2 Ho1 102.7(3) . . ?
O34 Ho2 Ho1 41.8(3) . . ?
O43 Ho2 Ho1 93.5(3) . . ?
O40 Ho2 Ho1 170.8(3) . . ?
O37 Ho2 Ho1 39.8(2) 2_656 . ?
O42 Ho2 Ho1 116.2(3) . . ?
O33 Ho2 Ho1 41.3(2) . . ?
K8 Ho2 Ho1 108.19(7) . . ?
O38 Ho2 Ho1 90.8(3) 2_656 2_656 ?
O31 Ho2 Ho1 142.9(3) . 2_656 ?
O34 Ho2 Ho1 63.5(3) . 2_656 ?
O43 Ho2 Ho1 34.3(3) . 2_656 ?
O40 Ho2 Ho1 111.5(3) . 2_656 ?
O37 Ho2 Ho1 38.2(2) 2_656 2_656 ?
O42 Ho2 Ho1 89.6(3) . 2_656 ?
O33 Ho2 Ho1 98.7(2) . 2_656 ?
K8 Ho2 Ho1 110.42(7) . 2_656 ?
Ho1 Ho2 Ho1 59.74(2) . 2_656 ?
O28 As1 O18 96.9(4) . . ?
O28 As1 O6 97.4(4) . . ?
O18 As1 O6 97.8(4) . . ?
O8 K1 O8 180.000(2) . 2_757 ?
O8 K1 O10 57.1(3) . . ?
O8 K1 O10 122.9(3) 2_757 . ?
O8 K1 O10 122.9(3) . 2_757 ?
O8 K1 O10 57.1(3) 2_757 2_757 ?
O10 K1 O10 180.000(3) . 2_757 ?
O8 K1 O12 56.0(3) . . ?
O8 K1 O12 124.0(3) 2_757 . ?
O10 K1 O12 66.3(3) . . ?
O10 K1 O12 113.7(3) 2_757 . ?
O8 K1 O12 124.0(3) . 2_757 ?
O8 K1 O12 56.0(3) 2_757 2_757 ?
O10 K1 O12 113.7(3) . 2_757 ?
O10 K1 O12 66.3(3) 2_757 2_757 ?
O12 K1 O12 180.000(4) . 2_757 ?
O8 K1 O16 94.1(3) . . ?
O8 K1 O16 85.9(3) 2_757 . ?
O10 K1 O16 54.5(3) . . ?
O10 K1 O16 125.5(3) 2_757 . ?
O12 K1 O16 53.4(3) . . ?
O12 K1 O16 126.6(3) 2_757 . ?
O8 K1 O16 85.9(3) . 2_757 ?
O8 K1 O16 94.1(3) 2_757 2_757 ?
O10 K1 O16 125.5(3) . 2_757 ?
O10 K1 O16 54.5(3) 2_757 2_757 ?
O12 K1 O16 126.6(3) . 2_757 ?
O12 K1 O16 53.4(3) 2_757 2_757 ?
O16 K1 O16 180.0(2) . 2_757 ?
O8 K1 W3 28.57(19) . . ?
O8 K1 W3 151.43(19) 2_757 . ?
O10 K1 W3 67.6(2) . . ?
O10 K1 W3 112.4(2) 2_757 . ?
O12 K1 W3 30.8(2) . . ?
O12 K1 W3 149.2(2) 2_757 . ?
O16 K1 W3 80.5(2) . . ?
O16 K1 W3 99.5(2) 2_757 . ?
O8 K1 W3 151.43(19) . 2_757 ?
O8 K1 W3 28.57(19) 2_757 2_757 ?
O10 K1 W3 112.4(2) . 2_757 ?
O10 K1 W3 67.6(2) 2_757 2_757 ?
O12 K1 W3 149.2(2) . 2_757 ?
O12 K1 W3 30.8(2) 2_757 2_757 ?
O16 K1 W3 99.5(2) . 2_757 ?
O16 K1 W3 80.5(2) 2_757 2_757 ?
W3 K1 W3 180.00(2) . 2_757 ?
O8 K1 W2 32.41(19) . . ?
O8 K1 W2 147.59(19) 2_757 . ?
O10 K1 W2 29.0(2) . . ?
O10 K1 W2 151.0(2) 2_757 . ?
O12 K1 W2 68.83(19) . . ?
O12 K1 W2 111.17(19) 2_757 . ?
O16 K1 W2 80.3(2) . . ?
O16 K1 W2 99.7(2) 2_757 . ?
W3 K1 W2 53.855(14) . . ?
W3 K1 W2 126.145(14) 2_757 . ?
O8 K1 W2 147.59(19) . 2_757 ?
O8 K1 W2 32.41(19) 2_757 2_757 ?
O10 K1 W2 151.0(2) . 2_757 ?
O10 K1 W2 29.0(2) 2_757 2_757 ?
O12 K1 W2 111.17(19) . 2_757 ?
O12 K1 W2 68.83(19) 2_757 2_757 ?
O16 K1 W2 99.7(2) . 2_757 ?
O16 K1 W2 80.3(2) 2_757 2_757 ?
W3 K1 W2 126.145(14) . 2_757 ?
W3 K1 W2 53.855(14) 2_757 2_757 ?
W2 K1 W2 180.0 . 2_757 ?
O21 K2 O21 180.000(2) 2_767 . ?
O21 K2 O26 123.8(3) 2_767 . ?
O21 K2 O26 56.2(3) . . ?
O21 K2 O26 56.2(3) 2_767 2_767 ?
O21 K2 O26 123.8(3) . 2_767 ?
O26 K2 O26 180.000(1) . 2_767 ?
O21 K2 O20 55.9(3) 2_767 2_767 ?
O21 K2 O20 124.1(3) . 2_767 ?
O26 K2 O20 85.6(3) . 2_767 ?
O26 K2 O20 94.4(3) 2_767 2_767 ?
O21 K2 O20 124.1(3) 2_767 . ?
O21 K2 O20 55.9(3) . . ?
O26 K2 O20 94.4(3) . . ?
O26 K2 O20 85.6(3) 2_767 . ?
O20 K2 O20 180.000(4) 2_767 . ?
O21 K2 O24 66.4(3) 2_767 2_767 ?
O21 K2 O24 113.6(3) . 2_767 ?
O26 K2 O24 125.2(3) . 2_767 ?
O26 K2 O24 54.8(3) 2_767 2_767 ?
O20 K2 O24 54.7(3) 2_767 2_767 ?
O20 K2 O24 125.3(3) . 2_767 ?
O21 K2 O24 113.6(3) 2_767 . ?
O21 K2 O24 66.4(3) . . ?
O26 K2 O24 54.8(3) . . ?
O26 K2 O24 125.2(3) 2_767 . ?
O20 K2 O24 125.3(3) 2_767 . ?
O20 K2 O24 54.7(3) . . ?
O24 K2 O24 180.000(2) 2_767 . ?
O21 K2 W7 151.5(2) 2_767 . ?
O21 K2 W7 28.5(2) . . ?
O26 K2 W7 31.7(2) . . ?
O26 K2 W7 148.3(2) 2_767 . ?
O20 K2 W7 99.0(2) 2_767 . ?
O20 K2 W7 81.0(2) . . ?
O24 K2 W7 112.3(2) 2_767 . ?
O24 K2 W7 67.7(2) . . ?
O21 K2 W7 28.5(2) 2_767 2_767 ?
O21 K2 W7 151.5(2) . 2_767 ?
O26 K2 W7 148.3(2) . 2_767 ?
O26 K2 W7 31.7(2) 2_767 2_767 ?
O20 K2 W7 81.0(2) 2_767 2_767 ?
O20 K2 W7 99.0(2) . 2_767 ?
O24 K2 W7 67.7(2) 2_767 2_767 ?
O24 K2 W7 112.3(2) . 2_767 ?
W7 K2 W7 180.0 . 2_767 ?
O21 K2 W5 30.9(2) 2_767 2_767 ?
O21 K2 W5 149.1(2) . 2_767 ?
O26 K2 W5 96.64(19) . 2_767 ?
O26 K2 W5 83.36(19) 2_767 2_767 ?
O20 K2 W5 29.4(2) 2_767 2_767 ?
O20 K2 W5 150.6(2) . 2_767 ?
O24 K2 W5 67.8(2) 2_767 2_767 ?
O24 K2 W5 112.2(2) . 2_767 ?
W7 K2 W5 120.776(14) . 2_767 ?
W7 K2 W5 59.224(14) 2_767 2_767 ?
O21 K2 W5 149.1(2) 2_767 . ?
O21 K2 W5 30.9(2) . . ?
O26 K2 W5 83.36(19) . . ?
O26 K2 W5 96.64(19) 2_767 . ?
O20 K2 W5 150.6(2) 2_767 . ?
O20 K2 W5 29.4(2) . . ?
O24 K2 W5 112.2(2) 2_767 . ?
O24 K2 W5 67.8(2) . . ?
W7 K2 W5 59.224(14) . . ?
W7 K2 W5 120.776(14) 2_767 . ?
W5 K2 W5 180.0 2_767 . ?
O39 K3 O23 134.6(4) 2_656 1_455 ?
O39 K3 O3W 80.1(4) 2_656 . ?
O23 K3 O3W 134.5(5) 1_455 . ?
O39 K3 O15 155.4(4) 2_656 1_455 ?
O23 K3 O15 69.8(3) 1_455 1_455 ?
O3W K3 O15 77.9(4) . 1_455 ?
O39 K3 O11W 71.4(8) 2_656 . ?
O23 K3 O11W 68.2(8) 1_455 . ?
O3W K3 O11W 151.0(8) . . ?
O15 K3 O11W 131.1(8) 1_455 . ?
O39 K3 O35 97.3(4) 2_656 1_455 ?
O23 K3 O35 71.5(4) 1_455 1_455 ?
O3W K3 O35 76.4(4) . 1_455 ?
O15 K3 O35 88.3(4) 1_455 1_455 ?
O11W K3 O35 101.1(8) . 1_455 ?
O39 K3 O32 77.3(4) 2_656 . ?
O23 K3 O32 123.0(4) 1_455 . ?
O3W K3 O32 87.8(4) . . ?
O15 K3 O32 90.8(3) 1_455 . ?
O11W K3 O32 91.5(8) . . ?
O35 K3 O32 164.0(4) 1_455 . ?
O39 K3 K8 105.4(3) 2_656 1_455 ?
O23 K3 K8 34.2(2) 1_455 1_455 ?
O3W K3 K8 126.0(4) . 1_455 ?
O15 K3 K8 96.5(3) 1_455 1_455 ?
O11W K3 K8 59.2(7) . 1_455 ?
O35 K3 K8 49.6(3) 1_455 1_455 ?
O32 K3 K8 146.2(3) . 1_455 ?
O39 K3 O17 141.7(4) 2_656 1_455 ?
O23 K3 O17 50.7(3) 1_455 1_455 ?
O3W K3 O17 124.4(4) . 1_455 ?
O15 K3 O17 50.6(3) 1_455 1_455 ?
O11W K3 O17 83.1(7) . 1_455 ?
O35 K3 O17 115.7(3) 1_455 1_455 ?
O32 K3 O17 75.2(3) . 1_455 ?
K8 K3 O17 84.1(2) 1_455 1_455 ?
O39 K3 K6 104.3(3) 2_656 . ?
O23 K3 K6 119.8(3) 1_455 . ?
O3W K3 K6 52.9(3) . . ?
O15 K3 K6 52.9(3) 1_455 . ?
O11W K3 K6 140.0(8) . . ?
O35 K3 K6 118.8(3) 1_455 . ?
O32 K3 K6 50.0(2) . . ?
K8 K3 K6 149.35(19) 1_455 . ?
O17 K3 K6 77.2(2) 1_455 . ?
O39 K3 W6 138.1(3) 2_656 1_455 ?
O23 K3 W6 24.1(2) 1_455 1_455 ?
O3W K3 W6 141.8(4) . 1_455 ?
O15 K3 W6 64.5(2) 1_455 1_455 ?
O11W K3 W6 66.9(7) . 1_455 ?
O35 K3 W6 95.0(3) 1_455 1_455 ?
O32 K3 W6 99.0(2) . 1_455 ?
K8 K3 W6 56.02(9) 1_455 1_455 ?
O17 K3 W6 28.36(18) 1_455 1_455 ?
K6 K3 W6 104.34(15) . 1_455 ?
O39 K3 W4 155.9(3) 2_656 1_455 ?
O23 K3 W4 63.5(2) 1_455 1_455 ?
O3W K3 W4 95.8(4) . 1_455 ?
O15 K3 W4 22.0(2) 1_455 1_455 ?
O11W K3 W4 112.5(7) . 1_455 ?
O35 K3 W4 104.9(3) 1_455 1_455 ?
O32 K3 W4 78.8(2) . 1_455 ?
K8 K3 W4 96.26(13) 1_455 1_455 ?
O17 K3 W4 29.57(19) 1_455 1_455 ?
K6 K3 W4 56.55(12) . 1_455 ?
W6 K3 W4 49.80(6) 1_455 1_455 ?
O11 K4 O14 80.3(4) 2_657 1_455 ?
O11 K4 O13 117.1(4) 2_657 . ?
O14 K4 O13 152.2(4) 1_455 . ?
O11 K4 O27 168.9(4) 2_657 . ?
O14 K4 O27 100.6(4) 1_455 . ?
O13 K4 O27 58.0(3) . . ?
O11 K4 O6W 81.2(4) 2_657 2_667 ?
O14 K4 O6W 141.3(5) 1_455 2_667 ?
O13 K4 O6W 65.9(4) . 2_667 ?
O27 K4 O6W 103.9(4) . 2_667 ?
O11 K4 O4W 83.5(4) 2_657 . ?
O14 K4 O4W 79.1(4) 1_455 . ?
O13 K4 O4W 122.1(5) . . ?
O27 K4 O4W 107.6(4) . . ?
O6W K4 O4W 65.2(5) 2_667 . ?
O11 K4 O3 79.8(3) 2_657 . ?
O14 K4 O3 117.1(4) 1_455 . ?
O13 K4 O3 51.9(3) . . ?
O27 K4 O3 90.0(3) . . ?
O6W K4 O3 92.5(4) 2_667 . ?
O4W K4 O3 154.0(4) . . ?
O11 K4 O5 116.1(4) 2_657 . ?
O14 K4 O5 88.9(3) 1_455 . ?
O13 K4 O5 64.3(3) . . ?
O27 K4 O5 53.0(3) . . ?
O6W K4 O5 129.8(4) 2_667 . ?
O4W K4 O5 155.2(4) . . ?
O3 K4 O5 50.4(3) . . ?
O11 K4 W7 146.4(3) 2_657 . ?
O14 K4 W7 132.8(3) 1_455 . ?
O13 K4 W7 31.2(2) . . ?
O27 K4 W7 32.5(2) . . ?
O6W K4 W7 73.9(4) 2_667 . ?
O4W K4 W7 105.4(4) . . ?
O3 K4 W7 79.2(2) . . ?
O5 K4 W7 67.4(2) . . ?
O11 K4 W3 91.6(3) 2_657 . ?
O14 K4 W3 144.8(3) 1_455 . ?
O13 K4 W3 27.8(2) . . ?
O27 K4 W3 81.3(2) . . ?
O6W K4 W3 69.1(3) 2_667 . ?
O4W K4 W3 134.3(4) . . ?
O3 K4 W3 28.1(2) . . ?
O5 K4 W3 63.9(2) . . ?
W7 K4 W3 58.77(7) . . ?
O11 K4 W9 142.2(3) 2_657 . ?
O14 K4 W9 86.3(3) 1_455 . ?
O13 K4 W9 66.7(2) . . ?
O27 K4 W9 28.1(2) . . ?
O6W K4 W9 127.4(4) 2_667 . ?
O4W K4 W9 128.5(4) . . ?
O3 K4 W9 75.2(2) . . ?
O5 K4 W9 27.84(19) . . ?
W7 K4 W9 53.61(6) . . ?
W3 K4 W9 79.38(9) . . ?
O11 K4 W3 17.6(2) 2_657 2_657 ?
O14 K4 W3 88.2(3) 1_455 2_657 ?
O13 K4 W3 114.9(2) . 2_657 ?
O27 K4 W3 170.0(3) . 2_657 ?
O6W K4 W3 66.1(4) 2_667 2_657 ?
O4W K4 W3 69.4(4) . 2_657 ?
O3 K4 W3 90.0(2) . 2_657 ?
O5 K4 W3 132.5(2) . 2_657 ?
W7 K4 W3 138.02(13) . 2_657 ?
W3 K4 W3 94.14(9) . 2_657 ?
W9 K4 W3 159.57(16) . 2_657 ?
O1W K5 O25 143.3(4) . 2_667 ?
O1W K5 O14W 104.8(9) . . ?
O25 K5 O14W 83.0(8) 2_667 . ?
O1W K5 O22 141.6(4) . 1_455 ?
O25 K5 O22 74.2(3) 2_667 1_455 ?
O14W K5 O22 83.7(9) . 1_455 ?
O1W K5 O5W 73.1(5) . 2_667 ?
O25 K5 O5W 129.6(5) 2_667 2_667 ?
O14W K5 O5W 128.9(9) . 2_667 ?
O22 K5 O5W 72.7(5) 1_455 2_667 ?
O1W K5 O5W 70.4(5) . . ?
O25 K5 O5W 75.9(4) 2_667 . ?
O14W K5 O5W 125.2(9) . . ?
O22 K5 O5W 134.6(5) 1_455 . ?
O5W K5 O5W 102.7(5) 2_667 . ?
O1W K5 O8W 68.8(6) . . ?
O25 K5 O8W 141.9(5) 2_667 . ?
O14W K5 O8W 64.7(9) . . ?
O22 K5 O8W 82.3(6) 1_455 . ?
O5W K5 O8W 67.7(6) 2_667 . ?
O5W K5 O8W 139.1(6) . . ?
O1W K5 O1W 105.4(4) . 2_667 ?
O25 K5 O1W 71.2(3) 2_667 2_667 ?
O14W K5 O1W 149.7(9) . 2_667 ?
O22 K5 O1W 74.3(4) 1_455 2_667 ?
O5W K5 O1W 63.8(5) 2_667 2_667 ?
O5W K5 O1W 64.1(5) . 2_667 ?
O8W K5 O1W 130.4(6) . 2_667 ?
O1W K5 O4W 68.1(4) . 2_667 ?
O25 K5 O4W 86.3(4) 2_667 2_667 ?
O14W K5 O4W 60.5(9) . 2_667 ?
O22 K5 O4W 141.3(4) 1_455 2_667 ?
O5W K5 O4W 141.0(5) 2_667 2_667 ?
O5W K5 O4W 68.1(5) . 2_667 ?
O8W K5 O4W 94.1(6) . 2_667 ?
O1W K5 O4W 130.7(4) 2_667 2_667 ?
O1W K5 K5 59.9(3) . 2_667 ?
O25 K5 K5 107.7(3) 2_667 2_667 ?
O14W K5 K5 164.6(9) . 2_667 ?
O22 K5 K5 109.6(4) 1_455 2_667 ?
O5W K5 K5 52.4(4) 2_667 2_667 ?
O5W K5 K5 50.3(4) . 2_667 ?
O8W K5 K5 108.3(5) . 2_667 ?
O1W K5 K5 45.4(3) 2_667 2_667 ?
O4W K5 K5 108.1(4) 2_667 2_667 ?
O1W K5 K7 50.6(3) . . ?
O25 K5 K7 127.5(3) 2_667 . ?
O14W K5 K7 54.4(8) . . ?
O22 K5 K7 122.3(3) 1_455 . ?
O5W K5 K7 102.3(4) 2_667 . ?
O5W K5 K7 103.0(4) . . ?
O8W K5 K7 46.5(5) . . ?
O1W K5 K7 155.9(3) 2_667 . ?
O4W K5 K7 48.4(3) 2_667 . ?
K5 K5 K7 110.5(2) 2_667 . ?
O1W K5 K4 96.2(3) . 2_667 ?
O25 K5 K4 50.1(3) 2_667 2_667 ?
O14W K5 K4 76.2(8) . 2_667 ?
O22 K5 K4 122.2(3) 1_455 2_667 ?
O5W K5 K4 154.1(4) 2_667 2_667 ?
O5W K5 K4 51.5(4) . 2_667 ?
O8W K5 K4 131.2(5) . 2_667 ?
O1W K5 K4 98.0(3) 2_667 2_667 ?
O4W K5 K4 39.3(3) 2_667 2_667 ?
K5 K5 K4 101.78(19) 2_667 2_667 ?
K7 K5 K4 87.41(16) . 2_667 ?
O45 K6 O7W 67.3(6) 2_656 . ?
O45 K6 O14 158.7(5) 2_656 1_455 ?
O7W K6 O14 96.4(6) . 1_455 ?
O45 K6 O44 44.8(4) 2_656 2_656 ?
O7W K6 O44 105.3(6) . 2_656 ?
O14 K6 O44 156.1(4) 1_455 2_656 ?
O45 K6 O1 71.9(4) 2_656 . ?
O7W K6 O1 118.0(6) . . ?
O14 K6 O1 106.9(4) 1_455 . ?
O44 K6 O1 71.7(3) 2_656 . ?
O45 K6 O32 120.6(4) 2_656 . ?
O7W K6 O32 132.8(6) . . ?
O14 K6 O32 80.4(4) 1_455 . ?
O44 K6 O32 77.6(3) 2_656 . ?
O1 K6 O32 107.7(4) . . ?
O45 K6 O5 108.2(4) 2_656 . ?
O7W K6 O5 172.9(6) . . ?
O14 K6 O5 86.6(3) 1_455 . ?
O44 K6 O5 73.1(3) 2_656 . ?
O1 K6 O5 54.9(3) . . ?
O32 K6 O5 54.0(3) . . ?
O45 K6 O13W 99.5(7) 2_656 . ?
O7W K6 O13W 73.7(8) . . ?
O14 K6 O13W 61.5(7) 1_455 . ?
O44 K6 O13W 134.2(7) 2_656 . ?
O1 K6 O13W 69.4(7) . . ?
O32 K6 O13W 137.3(7) . . ?
O5 K6 O13W 102.4(7) . . ?
O45 K6 C8 22.3(4) 2_656 2_656 ?
O7W K6 C8 88.6(6) . 2_656 ?
O14 K6 C8 171.1(5) 1_455 2_656 ?
O44 K6 C8 24.1(4) 2_656 2_656 ?
O1 K6 C8 64.2(4) . 2_656 ?
O32 K6 C8 101.6(4) . 2_656 ?
O5 K6 C8 87.7(4) . 2_656 ?
O13W K6 C8 113.3(7) . 2_656 ?
O45 K6 O3W 66.0(4) 2_656 . ?
O7W K6 O3W 59.7(6) . . ?
O14 K6 O3W 118.8(4) 1_455 . ?
O44 K6 O3W 66.4(4) 2_656 . ?
O1 K6 O3W 134.3(4) . . ?
O32 K6 O3W 80.6(4) . . ?
O5 K6 O3W 124.3(4) . . ?
O13W K6 O3W 133.3(8) . . ?
C8 K6 O3W 70.1(4) 2_656 . ?
O45 K6 O15 121.6(4) 2_656 1_455 ?
O7W K6 O15 59.4(5) . 1_455 ?
O14 K6 O15 52.5(3) 1_455 1_455 ?
O44 K6 O15 132.7(4) 2_656 1_455 ?
O1 K6 O15 155.4(4) . 1_455 ?
O32 K6 O15 83.8(3) . 1_455 ?
O5 K6 O15 126.9(3) . 1_455 ?
O13W K6 O15 87.3(7) . 1_455 ?
C8 K6 O15 136.1(4) 2_656 1_455 ?
O3W K6 O15 67.9(4) . 1_455 ?
O45 K6 W4 144.3(4) 2_656 1_455 ?
O7W K6 W4 77.1(5) . 1_455 ?
O14 K6 W4 25.4(2) 1_455 1_455 ?
O44 K6 W4 154.0(3) 2_656 1_455 ?
O1 K6 W4 130.8(3) . 1_455 ?
O32 K6 W4 82.1(2) . 1_455 ?
O5 K6 W4 107.5(2) . 1_455 ?
O13W K6 W4 71.7(6) . 1_455 ?
C8 K6 W4 163.0(4) 2_656 1_455 ?
O3W K6 W4 94.5(3) . 1_455 ?
O15 K6 W4 27.2(2) 1_455 1_455 ?
O12W K7 O19 113.7(8) . 2_767 ?
O12W K7 O7 74.9(8) . 1_565 ?
O19 K7 O7 73.2(4) 2_767 1_565 ?
O12W K7 O8W 82.1(9) . . ?
O19 K7 O8W 136.3(6) 2_767 . ?
O7 K7 O8W 149.0(6) 1_565 . ?
O12W K7 O29 68.9(7) . . ?
O19 K7 O29 70.7(3) 2_767 . ?
O7 K7 O29 110.7(4) 1_565 . ?
O8W K7 O29 79.1(6) . . ?
O12W K7 O1W 141.1(8) . . ?
O19 K7 O1W 74.2(4) 2_767 . ?
O7 K7 O1W 139.8(4) 1_565 . ?
O8W K7 O1W 69.8(6) . . ?
O29 K7 O1W 79.5(4) . . ?
O12W K7 O4W 147.4(8) . 2_667 ?
O19 K7 O4W 78.2(4) 2_767 2_667 ?
O7 K7 O4W 80.5(4) 1_565 2_667 ?
O8W K7 O4W 110.9(7) . 2_667 ?
O29 K7 O4W 141.3(5) . 2_667 ?
O1W K7 O4W 70.3(4) . 2_667 ?
O12W K7 O14W 102.7(10) . . ?
O19 K7 O14W 139.3(8) 2_767 . ?
O7 K7 O14W 100.8(7) 1_565 . ?
O8W K7 O14W 64.1(9) . . ?
O29 K7 O14W 143.1(8) . . ?
O1W K7 O14W 89.0(8) . . ?
O4W K7 O14W 61.2(8) 2_667 . ?
O12W K7 K5 132.7(8) . . ?
O19 K7 K5 110.9(3) 2_767 . ?
O7 K7 K5 134.3(3) 1_565 . ?
O8W K7 K5 54.3(5) . . ?
O29 K7 K5 113.5(3) . . ?
O1W K7 K5 43.8(3) . . ?
O4W K7 K5 57.6(4) 2_667 . ?
O14W K7 K5 45.3(7) . . ?
O42 K8 O23 150.3(6) . . ?
O42 K8 O9W 94.5(9) . 1_655 ?
O23 K8 O9W 108.3(8) . 1_655 ?
O42 K8 O31 82.1(5) . . ?
O23 K8 O31 77.5(4) . . ?
O9W K8 O31 94.7(8) 1_655 . ?
O42 K8 O35 69.5(5) . . ?
O23 K8 O35 93.1(5) . . ?
O9W K8 O35 156.1(8) 1_655 . ?
O31 K8 O35 100.3(4) . . ?
O42 K8 C6 16.6(5) . . ?
O23 K8 C6 166.9(5) . . ?
O9W K8 C6 81.2(8) 1_655 . ?
O31 K8 C6 93.0(4) . . ?
O35 K8 C6 79.6(4) . . ?
O42 K8 O11W 131.1(8) . 1_655 ?
O23 K8 O11W 75.1(8) . 1_655 ?
O9W K8 O11W 73.5(10) 1_655 1_655 ?
O31 K8 O11W 144.6(7) . 1_655 ?
O35 K8 O11W 103.0(7) . 1_655 ?
C6 K8 O11W 117.0(8) . 1_655 ?
O42 K8 C1 68.0(5) . . ?
O23 K8 C1 87.4(5) . . ?
O9W K8 C1 162.2(8) 1_655 . ?
O31 K8 C1 80.4(4) . . ?
O35 K8 C1 20.0(4) . . ?
C6 K8 C1 82.1(4) . . ?
O11W K8 C1 119.8(7) 1_655 . ?
O42 K8 K3 123.3(4) . 1_655 ?
O23 K8 K3 56.1(3) . 1_655 ?
O9W K8 K3 126.9(8) 1_655 1_655 ?
O31 K8 K3 123.7(3) . 1_655 ?
O35 K8 K3 57.4(3) . 1_655 ?
C6 K8 K3 125.7(3) . 1_655 ?
O11W K8 K3 53.7(7) 1_655 1_655 ?
C1 K8 K3 68.6(3) . 1_655 ?
O42 K8 O34 59.0(4) . . ?
O23 K8 O34 92.0(4) . . ?
O9W K8 O34 144.2(8) 1_655 . ?
O31 K8 O34 60.5(3) . . ?
O35 K8 O34 40.7(4) . . ?
C6 K8 O34 75.3(4) . . ?
O11W K8 O34 141.6(7) 1_655 . ?
C1 K8 O34 22.1(3) . . ?
K3 K8 O34 88.9(2) 1_655 . ?
O42 K8 Ho2 42.7(4) . . ?
O23 K8 Ho2 111.1(4) . . ?
O9W K8 Ho2 104.7(8) 1_655 . ?
O31 K8 Ho2 40.8(3) . . ?
O35 K8 Ho2 76.1(3) . . ?
C6 K8 Ho2 56.8(3) . . ?
O11W K8 Ho2 173.7(7) 1_655 . ?
C1 K8 Ho2 60.7(3) . . ?
K3 K8 Ho2 128.42(15) 1_655 . ?
O34 K8 Ho2 39.55(18) . . ?
O42 K8 W6 156.5(4) . . ?
O23 K8 W6 19.8(3) . . ?
O9W K8 W6 89.0(8) 1_655 . ?
O31 K8 W6 74.5(3) . . ?
O35 K8 W6 112.9(3) . . ?
C6 K8 W6 163.5(3) . . ?
O11W K8 W6 72.1(7) 1_655 . ?
C1 K8 W6 105.9(3) . . ?
K3 K8 W6 70.85(11) 1_655 . ?
O34 K8 W6 106.5(2) . . ?
Ho2 K8 W6 114.00(10) . . ?
W1 O1 K6 106.5(5) . . ?
W1 O2 W2 120.1(6) . . ?
W3 O3 W1 120.4(5) . . ?
W3 O3 K4 100.6(4) . . ?
W1 O3 K4 109.1(4) . . ?
W1 O4 Ho1 152.4(6) . . ?
W9 O5 W1 146.9(6) . . ?
W9 O5 K6 98.7(4) . . ?
W1 O5 K6 97.3(4) . . ?
W9 O5 K4 101.0(4) . . ?
W1 O5 K4 109.4(4) . . ?
K6 O5 K4 83.5(3) . . ?
As1 O6 W2 116.4(5) . . ?
As1 O6 W1 117.9(5) . . ?
W2 O6 W1 91.2(3) . . ?
As1 O6 W3 134.7(5) . . ?
W2 O6 W3 94.3(3) . . ?
W1 O6 W3 92.2(4) . . ?
W2 O7 K7 135.6(6) . 1_545 ?
W3 O8 W2 119.4(5) . . ?
W3 O8 K1 106.0(4) . . ?
W2 O8 K1 103.1(4) . . ?
W2 O10 W4 143.0(6) . . ?
W2 O10 K1 104.5(4) . . ?
W4 O10 K1 111.8(4) . . ?
W3 O11 K4 134.9(6) . 2_657 ?
W5 O12 W3 155.6(6) . . ?
W5 O12 K1 103.4(4) . . ?
W3 O12 K1 97.3(4) . . ?
W7 O13 W3 149.0(6) . . ?
W7 O13 K4 98.5(4) . . ?
W3 O13 K4 111.0(4) . . ?
W4 O14 K4 147.8(6) . 1_655 ?
W4 O14 K6 108.6(5) . 1_655 ?
K4 O14 K6 97.5(4) 1_655 1_655 ?
W4 O15 K3 120.0(6) . 1_655 ?
W4 O15 K6 95.5(5) . 1_655 ?
K3 O15 K6 81.6(3) 1_655 1_655 ?
W5 O16 W4 119.7(5) . . ?
W5 O16 K1 104.0(4) . . ?
W4 O16 K1 102.1(4) . . ?
W6 O17 W4 120.6(6) . . ?
W6 O17 K3 92.7(4) . 1_655 ?
W4 O17 K3 92.3(4) . 1_655 ?
As1 O18 W4 115.7(5) . . ?
As1 O18 W6 119.4(5) . . ?
W4 O18 W6 92.0(3) . . ?
As1 O18 W5 133.8(5) . . ?
W4 O18 W5 94.6(3) . . ?
W6 O18 W5 91.8(3) . . ?
W5 O19 K7 138.0(6) . 2_767 ?
W5 O20 W6 120.9(5) . . ?
W5 O20 K2 102.8(4) . . ?
W6 O20 K2 106.7(4) . . ?
W7 O21 W5 149.7(6) . . ?
W7 O21 K2 105.8(4) . . ?
W5 O21 K2 103.4(4) . . ?
W6 O22 K5 144.9(6) . 1_655 ?
W6 O23 K8 139.7(6) . . ?
W6 O23 K3 117.2(5) . 1_655 ?
K8 O23 K3 89.7(4) . 1_655 ?
W8 O24 W6 149.4(6) . . ?
W8 O24 K2 102.3(4) . . ?
W6 O24 K2 105.5(4) . . ?
W7 O25 K5 146.3(6) . 2_667 ?
W8 O26 W7 119.5(5) . . ?
W8 O26 K2 105.2(4) . . ?
W7 O26 K2 99.1(4) . . ?
W7 O27 W9 121.5(5) . . ?
W7 O27 K4 95.7(4) . . ?
W9 O27 K4 110.1(4) . . ?
As1 O28 W7 134.6(5) . . ?
As1 O28 W9 115.1(4) . . ?
W7 O28 W9 94.6(3) . . ?
As1 O28 W8 119.2(5) . . ?
W7 O28 W8 91.2(3) . . ?
W9 O28 W8 92.3(3) . . ?
W8 O29 K7 133.7(6) . . ?
W8 O30 W9 121.3(5) . . ?
W8 O31 K8 131.4(6) . . ?
W8 O31 Ho2 120.4(5) . . ?
K8 O31 Ho2 99.3(4) . . ?
W9 O32 K3 171.8(6) . . ?
W9 O32 K6 104.4(5) . . ?
K3 O32 K6 81.1(3) . . ?
W9 O33 Ho1 142.2(6) . . ?
W9 O33 Ho2 121.0(5) . . ?
Ho1 O33 Ho2 95.6(4) . . ?
C1 O34 Ho2 142.3(11) . . ?
C1 O34 Ho1 118.1(10) . . ?
Ho2 O34 Ho1 98.8(4) . . ?
C1 O34 K8 76.0(9) . . ?
Ho2 O34 K8 71.6(3) . . ?
Ho1 O34 K8 157.5(4) . . ?
C1 O35 K8 112.3(11) . . ?
C1 O35 K3 123.0(11) . 1_655 ?
K8 O35 K3 73.0(4) . 1_655 ?
C2 O36 Ho1 108.4(8) . . ?
C3 O37 Ho1 119.0(9) . 2_656 ?
C3 O37 Ho1 118.2(8) . . ?
Ho1 O37 Ho1 102.3(4) 2_656 . ?
C3 O37 Ho2 113.8(8) . 2_656 ?
Ho1 O37 Ho2 98.1(3) 2_656 2_656 ?
Ho1 O37 Ho2 102.5(4) . 2_656 ?
C4 O38 Ho2 123.7(11) . 2_656 ?
C4 O39 K3 121.5(11) . 2_656 ?
C5 O40 Ho2 117.0(11) . . ?
C6 O42 K8 141.7(10) . . ?
C6 O42 Ho2 103.5(9) . . ?
K8 O42 Ho2 107.8(5) . . ?
C7 O43 Ho1 116.3(9) . 2_656 ?
C7 O43 Ho2 120.0(10) . . ?
Ho1 O43 Ho2 110.4(5) 2_656 . ?
C8 O44 Ho1 118.8(10) . 2_656 ?
C8 O44 K6 88.2(10) . 2_656 ?
Ho1 O44 K6 135.3(5) 2_656 2_656 ?
C8 O45 K6 96.0(11) . 2_656 ?
O35 C1 O34 123.4(16) . . ?
O35 C1 C2 122.7(16) . . ?
O34 C1 C2 113.3(15) . . ?
O35 C1 K8 47.7(9) . . ?
O34 C1 K8 81.9(9) . . ?
C2 C1 K8 158.4(11) . . ?
O36 C2 C1 111.5(13) . . ?
O36 C2 C3 105.7(13) . . ?
C1 C2 C3 106.8(13) . . ?
O36 C2 H2 110.9 . . ?
C1 C2 H2 110.9 . . ?
C3 C2 H2 110.9 . . ?
O37 C3 C2 108.4(12) . . ?
O37 C3 C4 113.0(13) . . ?
C2 C3 C4 110.0(13) . . ?
O37 C3 H3 108.4 . . ?
C2 C3 H3 108.4 . . ?
C4 C3 H3 108.4 . . ?
O39 C4 O38 125.1(16) . . ?
O39 C4 C3 116.7(15) . . ?
O38 C4 C3 118.2(15) . . ?
O40 C5 O41 125.0(19) . . ?
O40 C5 C6 116.1(16) . . ?
O41 C5 C6 118.8(18) . . ?
O42 C6 C7 108.5(13) . . ?
O42 C6 C5 105.8(13) . . ?
C7 C6 C5 108.7(14) . . ?
O42 C6 K8 21.6(6) . . ?
C7 C6 K8 127.7(11) . . ?
C5 C6 K8 104.3(10) . . ?
O42 C6 H6 111.2 . . ?
C7 C6 H6 111.2 . . ?
C5 C6 H6 111.2 . . ?
K8 C6 H6 92.6 . . ?
O43 C7 C8 113.2(14) . . ?
O43 C7 C6 108.4(14) . . ?
C8 C7 C6 110.4(14) . . ?
O43 C7 H7 108.2 . . ?
C8 C7 H7 108.2 . . ?
C6 C7 H7 108.2 . . ?
O45 C8 O44 122.4(16) . . ?
O45 C8 C7 122.5(16) . . ?
O44 C8 C7 115.1(15) . . ?
O45 C8 K6 61.7(9) . 2_656 ?
O44 C8 K6 67.7(9) . 2_656 ?
C7 C8 K6 154.0(11) . 2_656 ?
K5 O1W K7 85.6(4) . . ?
K5 O1W K5 74.6(4) . 2_667 ?
K7 O1W K5 160.1(5) . 2_667 ?
K3 O3W K6 82.3(4) . . ?
K4 O4W K7 166.1(7) . 2_667 ?
K4 O4W K5 94.7(5) . 2_667 ?
K7 O4W K5 74.1(4) 2_667 2_667 ?
K5 O5W K5 77.3(5) 2_667 . ?
K7 O8W K5 79.1(6) . . ?
K3 O11W K8 67.1(8) . 1_455 ?
K5 O14W K7 80.4(10) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         2.213
_refine_diff_density_min         -3.270
_refine_diff_density_rms         0.402
_database_code_depnum_ccdc_archive 'CCDC 987821'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_2

# start Validation Reply Form

_vrf_PLAT201_2                   
;
PROBLEM:Isotropic non-H Atoms in Main Residue(s) ....... 61 Report 
RESPONSE: Due to the large structure and the existence of a large
 amount of weight atoms, the intensity data are not very good,
 leading to the ADP max/min ratio of many C and O atoms,
 and it is very difficult to refine this large structure, therefore,
 in the final refinement, the W, As, lanthanoid, and K atoms were
 refined anisotropically; the O and C atoms were refined isotropically.
;

_vrf_PLAT043_2                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by .. 71.37 Check
RESPONSE: H atoms on the water molecules are not present in the refined
 structure but they obvioulsy must be counted.
;

_vrf_PLAT430_2                   
;
PROBLEM: Short Inter D...A Contact O1 .. O17W .. 2.69 Ang.
RESPONSE: In the crystal structure, there are a number of short connections
 between  Ow(H2O) and O(POM) in the range 2.50-2.90 Ang,
 which indicate extensive H bonding interactions among them. 
 Some shorter connections between Ow(H2O) or O(POM) result from
 the disordered water molecules.  
;

_vrf_PLAT220_2                   
;
PROBLEM: Large Non-Solvent O Ueq(max)/Ueq(min) Range 10.0 Ratio
RESPONSE: In polyoxometalate(POM) compounds, the Ueq of oxygen atoms in
 the POM skeleton is small due to multiple covalent bonds,
 whereas the Ueq of these dissociative water
 oxygen atoms is biggish without the constraint of covalent bonds. 
;

_vrf_PLAT306_2                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O2W Check
RESPONSE: The hydrogen atoms of the water molecules could not be directly 
 located from the difference Fourier maps because of the presence of too many
 heavy atoms in the structures.
;

# end Validation Reply Form

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H72 As2 Er4 K13 Li O118 W18'
_chemical_formula_weight         6795.89

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 '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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9777(11)
_cell_length_b                   15.1643(14)
_cell_length_c                   19.7826(18)
_cell_angle_alpha                105.2430(10)
_cell_angle_beta                 101.4070(10)
_cell_angle_gamma                107.654(2)
_cell_volume                     3149.4(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    7567
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            pink
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3021
_exptl_absorpt_coefficient_mu    20.059
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0818
_exptl_absorpt_correction_T_max  0.1080
_exptl_absorpt_process_details   
;
 SADABS v.2.10 (Bruker, 2003) was used for
 absorption correction. Estimated minimum and maximum transmission: 0.3602
 and 0.7457. The Ratio of minimum to maximum transmission is 0.4830.
 The λ/2 correction factor is 0.0015.'
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16204
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.00
_reflns_number_total             10991
_reflns_number_gt                9380
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0440P)²+44.4267P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10991
_refine_ls_number_parameters     466
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0401
_refine_ls_wR_factor_ref         0.1040
_refine_ls_wR_factor_gt          0.0990
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.51471(4) -0.07033(4) 0.77021(3) 0.01403(12) Uani 1 1 d . . .
W2 W 0.78067(5) -0.10058(4) 0.80433(3) 0.01459(12) Uani 1 1 d . . .
W3 W 0.71047(4) 0.03985(4) 0.94259(3) 0.01315(12) Uani 1 1 d . . .
W4 W 1.06757(5) 0.10279(4) 0.83892(3) 0.01562(12) Uani 1 1 d . . .
W5 W 1.00580(4) 0.24767(4) 0.98072(3) 0.01279(12) Uani 1 1 d . . .
W6 W 1.07409(5) 0.32678(4) 0.84281(3) 0.01666(12) Uani 1 1 d . . .
W7 W 0.70856(4) 0.28052(4) 0.93675(3) 0.01188(12) Uani 1 1 d . . .
W8 W 0.78064(5) 0.36580(4) 0.80484(3) 0.01485(12) Uani 1 1 d . . .
W9 W 0.51417(4) 0.16962(4) 0.76136(2) 0.01164(11) Uani 1 1 d . . .
Er1 Er 0.50566(5) -0.03383(4) 0.58344(3) 0.01301(13) Uani 1 1 d . . .
Er2 Er 0.63006(5) 0.22494(4) 0.60760(3) 0.01707(14) Uani 1 1 d . . .
As1 As 0.78532(10) 0.12338(9) 0.78421(6) 0.0093(2) Uani 1 1 d . . .
K1 K 1.0000 0.0000 1.0000 0.0336(11) Uani 1 2 d S . .
K2 K 1.0000 0.5000 1.0000 0.0335(11) Uani 1 2 d S . .
K3 K 0.1226(4) 0.1730(3) 0.6629(2) 0.0515(10) Uani 1 1 d . . .
K4 K 0.4228(3) 0.1166(3) 0.9338(2) 0.0517(11) Uani 1 1 d . . .
K5 K 0.4439(4) 0.5487(3) 0.9308(2) 0.0565(12) Uani 1 1 d . . .
K6 K 0.2021(4) -0.0412(4) 0.7165(2) 0.0380(11) Uani 0.75 1 d P . .
K7 K 0.6826(5) 0.6192(4) 0.8298(3) 0.0422(12) Uani 0.75 1 d P . .
K8 K 0.9468(3) 0.3073(3) 0.66351(19) 0.0386(8) Uani 1 1 d . . .
O1 O 0.3668(9) -0.1516(7) 0.7464(5) 0.029(2) Uiso 1 1 d . . .
O2 O 0.6014(8) -0.1549(7) 0.7801(5) 0.0197(19) Uiso 1 1 d . . .
O3 O 0.5489(8) -0.0316(6) 0.8807(4) 0.0159(18) Uiso 1 1 d . . .
O4 O 0.5414(8) -0.0679(6) 0.6856(5) 0.0179(19) Uiso 1 1 d . . .
O5 O 0.4845(8) 0.0532(6) 0.7833(4) 0.0174(19) Uiso 1 1 d . . .
O6 O 0.7217(7) 0.0332(6) 0.8242(4) 0.0123(17) Uiso 1 1 d . . .
O7 O 0.8080(9) -0.2043(7) 0.8073(5) 0.025(2) Uiso 1 1 d . . .
O8 O 0.7641(8) -0.0622(6) 0.9109(5) 0.0178(19) Uiso 1 1 d . . .
O9 O 0.7795(8) -0.0996(7) 0.7165(5) 0.0192(19) Uiso 1 1 d . . .
O10 O 0.9435(8) -0.0013(6) 0.8505(5) 0.0178(19) Uiso 1 1 d . . .
O11 O 0.6913(9) 0.0304(7) 1.0245(5) 0.025(2) Uiso 1 1 d . . .
O12 O 0.8763(8) 0.1340(6) 0.9755(4) 0.0163(18) Uiso 1 1 d . . .
O13 O 0.6688(8) 0.1566(6) 0.9461(4) 0.0166(18) Uiso 1 1 d . . .
O14 O 1.1925(9) 0.0674(7) 0.8550(5) 0.027(2) Uiso 1 1 d . . .
O15 O 1.0110(9) 0.0617(7) 0.7434(5) 0.026(2) Uiso 1 1 d . . .
O16 O 1.0953(8) 0.1736(6) 0.9535(4) 0.0167(18) Uiso 1 1 d . . .
O17 O 1.1591(8) 0.2396(6) 0.8483(5) 0.0183(19) Uiso 1 1 d . . .
O18 O 0.9358(7) 0.1841(6) 0.8504(4) 0.0138(18) Uiso 1 1 d . . .
O19 O 1.0769(8) 0.3017(6) 1.0739(5) 0.0187(19) Uiso 1 1 d . . .
O20 O 1.0926(8) 0.3496(6) 0.9499(4) 0.0177(19) Uiso 1 1 d . . .
O21 O 0.8757(8) 0.3014(6) 0.9710(4) 0.0153(18) Uiso 1 1 d . . .
O22 O 1.1937(9) 0.4316(7) 0.8547(5) 0.024(2) Uiso 1 1 d . . .
O23 O 1.0054(8) 0.2710(7) 0.7439(5) 0.024(2) Uiso 1 1 d . . .
O24 O 0.9432(8) 0.3782(6) 0.8465(4) 0.0173(19) Uiso 1 1 d . . .
O25 O 0.6846(8) 0.3455(6) 1.0139(5) 0.0186(19) Uiso 1 1 d . . .
O26 O 0.7572(8) 0.3906(6) 0.8998(5) 0.0181(19) Uiso 1 1 d . . .
O27 O 0.5507(7) 0.2415(6) 0.8679(4) 0.0146(18) Uiso 1 1 d . . .
O28 O 0.7221(7) 0.2102(6) 0.8217(4) 0.0100(16) Uiso 1 1 d . . .
O29 O 0.8037(9) 0.4790(7) 0.7974(5) 0.029(2) Uiso 1 1 d . . .
O30 O 0.6061(8) 0.3024(7) 0.7601(5) 0.0197(19) Uiso 1 1 d . . .
O31 O 0.7894(8) 0.2885(7) 0.7131(5) 0.022(2) Uiso 1 1 d . . .
O32 O 0.3668(8) 0.1642(7) 0.7321(5) 0.024(2) Uiso 1 1 d . . .
O33 O 0.5490(7) 0.1198(6) 0.6777(4) 0.0126(17) Uiso 1 1 d . . .
O34 O 0.6938(8) 0.0943(7) 0.5904(5) 0.021(2) Uiso 1 1 d . . .
O35 O 0.8743(10) 0.1208(8) 0.5669(6) 0.040(3) Uiso 1 1 d . . .
O36 O 0.6752(8) -0.0862(7) 0.5892(5) 0.023(2) Uiso 1 1 d . . .
O37 O 0.5480(7) -0.0753(6) 0.4684(4) 0.0135(17) Uiso 1 1 d . . .
O38 O 0.5430(9) -0.2567(7) 0.4027(5) 0.027(2) Uiso 1 1 d . . .
O39 O 0.7461(10) -0.2078(8) 0.4363(6) 0.037(3) Uiso 1 1 d . . .
O40 O 0.6897(9) 0.3847(7) 0.6045(5) 0.030(2) Uiso 1 1 d . . .
O41 O 0.7577(13) 0.4713(11) 0.5359(7) 0.063(4) Uiso 1 1 d . . .
O42 O 0.8294(9) 0.2865(7) 0.5829(5) 0.026(2) Uiso 1 1 d . . .
O43 O 0.6058(8) 0.1944(7) 0.4833(5) 0.023(2) Uiso 1 1 d . . .
O44 O 0.6898(8) 0.0789(7) 0.4048(5) 0.024(2) Uiso 1 1 d . . .
O45 O 0.8553(11) 0.2009(9) 0.4126(6) 0.043(3) Uiso 1 1 d . . .
C1 C 0.7790(13) 0.0670(10) 0.5734(7) 0.023(3) Uiso 1 1 d . . .
C2 C 0.7454(12) -0.0437(10) 0.5478(7) 0.019(3) Uiso 1 1 d . . .
H2 H 0.8191 -0.0599 0.5508 0.023 Uiso 1 1 calc R . .
C3 C 0.6614(12) -0.0849(10) 0.4680(7) 0.018(3) Uiso 1 1 d . . .
H3 H 0.6997 -0.0453 0.4408 0.022 Uiso 1 1 calc R . .
C4 C 0.6522(12) -0.1908(10) 0.4337(7) 0.021(3) Uiso 1 1 d . . .
C5 C 0.7470(15) 0.4005(12) 0.5598(9) 0.036(4) Uiso 1 1 d . . .
C6 C 0.8022(13) 0.3248(11) 0.5284(8) 0.027(3) Uiso 1 1 d . . .
H6 H 0.8756 0.3559 0.5156 0.033 Uiso 1 1 calc R . .
C7 C 0.7026(13) 0.2421(11) 0.4614(8) 0.026(3) Uiso 1 1 d . . .
H7 H 0.6723 0.2717 0.4269 0.031 Uiso 1 1 calc R . .
C8 C 0.7553(13) 0.1701(11) 0.4225(8) 0.026(3) Uiso 1 1 d . . .
O1W O 0.6660(10) 0.5385(8) 0.9521(6) 0.039(3) Uiso 1 1 d . . .
O2W O 0.0512(10) 0.3330(8) 0.2198(6) 0.040(3) Uiso 1 1 d . . .
O3W O 0.0595(14) -0.0221(11) 0.5717(8) 0.070(4) Uiso 1 1 d . . .
O4W O 0.3382(14) 0.2339(11) 1.0444(8) 0.067(4) Uiso 1 1 d . . .
O5W O 0.5865(14) 0.6508(11) 1.0855(8) 0.068(4) Uiso 1 1 d . . .
O6W O 0.4153(14) 0.8088(12) 0.9140(8) 0.074(4) Uiso 1 1 d . . .
O7W O -0.0534(18) -0.1475(15) 0.6492(10) 0.106(6) Uiso 1 1 d . . .
O8W O 0.479(2) 0.4365(16) 0.7797(11) 0.079(6) Uiso 0.75 1 d P . .
O9W O 0.010(2) 0.4694(18) 0.7011(13) 0.096(7) Uiso 0.75 1 d P . .
O10W O 0.912(3) 0.711(3) 0.4847(18) 0.087(10) Uiso 0.50 1 d P . .
O11W O 0.232(3) 0.391(3) 0.7007(19) 0.095(11) Uiso 0.50 1 d P . .
O12W O 0.688(3) 0.566(2) 0.6872(15) 0.064(8) Uiso 0.50 1 d P . .
O13W O 0.134(3) -0.152(2) 0.8214(15) 0.064(8) Uiso 0.50 1 d P . .
O14W O 0.427(3) 0.636(2) 0.8248(15) 0.066(8) Uiso 0.50 1 d P . .
O15W O 0.880(3) 0.387(2) 0.1495(15) 0.066(8) Uiso 0.50 1 d P . .
O16W O 0.549(3) 0.704(2) 0.5831(16) 0.071(8) Uiso 0.50 1 d P . .
O17W O 0.802(4) 0.320(3) 0.259(2) 0.122 Uiso 0.50 1 d P . .
O18W O 0.847(4) 0.499(3) 0.420(2) 0.120(14) Uiso 0.50 1 d P . .
O19W O 0.016(4) 0.637(3) 0.624(2) 0.116(14) Uiso 0.50 1 d P . .
O20W O 0.407(4) 0.429(3) 0.619(2) 0.104(12) Uiso 0.50 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
W1 O1 1.708(10) . ?
W1 O4 1.772(8) . ?
W1 O2 1.903(8) . ?
W1 O5 1.975(8) . ?
W1 O3 2.029(8) . ?
W1 O6 2.337(8) . ?
W1 K6 3.875(5) . ?
W2 O7 1.714(9) . ?
W2 O9 1.739(9) . ?
W2 O10 1.923(9) . ?
W2 O2 1.957(9) . ?
W2 O8 2.102(8) . ?
W2 O6 2.309(8) . ?
W2 K1 3.8280(6) . ?
W3 O11 1.718(9) . ?
W3 O8 1.858(8) . ?
W3 O3 1.873(8) . ?
W3 O12 1.920(9) . ?
W3 O13 1.968(8) . ?
W3 O6 2.351(8) . ?
W3 K1 3.7089(6) . ?
W3 K4 3.944(4) . ?
W3 K4 4.057(4) 2_657 ?
W4 O14 1.736(9) . ?
W4 O15 1.742(9) . ?
W4 O10 1.912(9) . ?
W4 O17 1.970(9) . ?
W4 O16 2.146(8) . ?
W4 O18 2.289(8) . ?
W4 K6 3.759(4) 1_655 ?
W4 K1 4.0132(6) . ?
W4 K3 4.016(4) 1_655 ?
W5 O19 1.719(8) . ?
W5 O16 1.828(8) . ?
W5 O12 1.900(9) . ?
W5 O20 1.901(9) . ?
W5 O21 1.966(8) . ?
W5 O18 2.372(8) . ?
W5 K2 3.7678(6) . ?
W5 K1 3.8550(6) . ?
W6 O22 1.710(10) . ?
W6 O23 1.815(9) . ?
W6 O17 1.909(8) . ?
W6 O24 1.956(8) . ?
W6 O20 2.010(8) . ?
W6 O18 2.354(9) . ?
W6 K8 3.468(4) . ?
W6 K2 3.9456(6) . ?
W6 K3 3.964(4) 1_655 ?
W7 O25 1.714(8) . ?
W7 O13 1.861(9) . ?
W7 O21 1.879(8) . ?
W7 O27 1.913(8) . ?
W7 O26 1.971(9) . ?
W7 O28 2.306(7) . ?
W7 K4 3.546(4) . ?
W7 K2 3.7235(6) . ?
W8 O29 1.704(10) . ?
W8 O24 1.889(8) . ?
W8 O26 1.910(8) . ?
W8 O30 1.918(9) . ?
W8 O31 1.927(9) . ?
W8 O28 2.382(8) . ?
W8 K8 3.812(4) . ?
W8 K2 3.8163(6) . ?
W9 O32 1.714(9) . ?
W9 O33 1.815(8) . ?
W9 O5 1.875(9) . ?
W9 O27 1.989(8) . ?
W9 O30 1.990(9) . ?
W9 O28 2.349(8) . ?
W9 K6 3.863(5) . ?
W9 K4 3.982(4) . ?
Er1 O4 2.209(8) . ?
Er1 O43 2.257(9) 2_656 ?
Er1 O44 2.309(9) 2_656 ?
Er1 O37 2.341(8) 2_656 ?
Er1 O36 2.388(9) . ?
Er1 O37 2.393(8) . ?
Er1 O33 2.402(8) . ?
Er1 O34 2.440(9) . ?
Er1 Er2 3.6100(9) . ?
Er1 Er1 3.6958(11) 2_656 ?
Er1 Er2 3.7787(8) 2_656 ?
Er2 O38 2.249(9) 2_656 ?
Er2 O31 2.275(9) . ?
Er2 O34 2.299(8) . ?
Er2 O43 2.320(9) . ?
Er2 O40 2.329(10) . ?
Er2 O37 2.442(8) 2_656 ?
Er2 O42 2.482(10) . ?
Er2 O33 2.483(8) . ?
Er2 K8 3.452(4) . ?
Er2 Er1 3.7787(8) 2_656 ?
As1 O28 1.780(7) . ?
As1 O18 1.799(8) . ?
As1 O6 1.802(8) . ?
K1 O8 2.742(8) 2_757 ?
K1 O8 2.742(8) . ?
K1 O10 2.893(8) 2_757 ?
K1 O10 2.893(8) . ?
K1 O12 2.936(8) 2_757 ?
K1 O12 2.936(8) . ?
K1 O16 2.991(9) 2_757 ?
K1 O16 2.991(9) . ?
K1 W3 3.7089(6) 2_757 ?
K1 W2 3.8280(6) 2_757 ?
K2 O21 2.766(9) 2_767 ?
K2 O21 2.766(9) . ?
K2 O20 2.862(8) 2_767 ?
K2 O20 2.862(8) . ?
K2 O26 2.864(9) 2_767 ?
K2 O26 2.864(9) . ?
K2 O24 2.927(8) 2_767 ?
K2 O24 2.927(8) . ?
K2 W7 3.7235(6) 2_767 ?
K2 W5 3.7678(6) 2_767 ?
K3 O23 2.764(9) 1_455 ?
K3 O39 2.805(12) 2_656 ?
K3 O3W 2.806(15) . ?
K3 O15 2.839(11) 1_455 ?
K3 O35 2.936(12) 1_455 ?
K3 O11W 2.99(4) . ?
K3 O32 3.034(10) . ?
K3 K8 3.343(5) 1_455 ?
K3 W6 3.964(4) 1_455 ?
K3 K6 3.984(7) . ?
K3 W4 4.016(4) 1_455 ?
K4 O14 2.652(10) 1_455 ?
K4 O11 2.661(11) 2_657 ?
K4 O13 2.768(9) . ?
K4 O27 2.822(9) . ?
K4 O6W 2.945(16) 2_667 ?
K4 O4W 2.984(15) . ?
K4 O3 3.143(9) . ?
K4 O5 3.182(9) . ?
K4 W3 4.057(4) 2_657 ?
K5 O1W 2.669(11) . ?
K5 O25 2.716(9) 2_667 ?
K5 O14W 2.77(3) . ?
K5 O22 2.825(10) 1_455 ?
K5 O5W 2.858(16) 2_667 ?
K5 O5W 2.917(15) . ?
K5 O8W 3.21(2) . ?
K5 O1W 3.256(12) 2_667 ?
K5 O4W 3.368(17) 2_667 ?
K5 K5 3.655(10) 2_667 ?
K5 K7 3.852(7) . ?
K5 K4 4.660(7) 2_667 ?
K6 O45 2.811(12) 2_656 ?
K6 O7W 2.83(2) . ?
K6 O14 2.848(10) 1_455 ?
K6 O44 2.951(10) 2_656 ?
K6 O1 3.018(10) . ?
K6 O32 3.035(11) . ?
K6 O13W 3.08(3) . ?
K6 O5 3.088(10) . ?
K6 C8 3.158(14) 2_656 ?
K6 O3W 3.163(15) . ?
K6 O15 3.190(10) 1_455 ?
K6 W4 3.759(4) 1_455 ?
K7 O12W 2.74(3) . ?
K7 O19 2.811(10) 2_767 ?
K7 O7 2.841(11) 1_565 ?
K7 O8W 2.84(2) . ?
K7 O29 2.926(11) . ?
K7 O4W 2.979(15) 2_667 ?
K7 O1W 2.998(12) . ?
K7 O14W 3.13(3) . ?
K8 O42 1.789(10) . ?
K8 O23 1.891(10) . ?
K8 O9W 2.20(3) 1_655 ?
K8 O31 2.269(10) . ?
K8 O35 2.724(12) . ?
K8 C6 3.007(14) . ?
K8 O11W 3.12(4) 1_655 ?
K8 K3 3.343(5) 1_655 ?
K8 C1 3.350(15) . ?
K8 O34 3.402(10) . ?
O7 K7 2.841(11) 1_545 ?
O11 K4 2.661(10) 2_657 ?
O14 K4 2.652(10) 1_655 ?
O14 K6 2.848(10) 1_655 ?
O15 K3 2.839(11) 1_655 ?
O15 K6 3.190(10) 1_655 ?
O19 K7 2.811(10) 2_767 ?
O22 K5 2.825(10) 1_655 ?
O23 K3 2.764(9) 1_655 ?
O25 K5 2.716(9) 2_667 ?
O34 C1 1.283(15) . ?
O35 C1 1.239(18) . ?
O35 K3 2.936(12) 1_655 ?
O36 C2 1.419(16) . ?
O37 C3 1.411(14) . ?
O37 Er1 2.341(8) 2_656 ?
O37 Er2 2.442(8) 2_656 ?
O38 C4 1.285(16) . ?
O38 Er2 2.249(9) 2_656 ?
O39 C4 1.222(16) . ?
O39 K3 2.805(12) 2_656 ?
O40 C5 1.252(18) . ?
O41 C5 1.26(2) . ?
O42 C6 1.384(17) . ?
O43 C7 1.383(17) . ?
O43 Er1 2.257(9) 2_656 ?
O44 C8 1.275(17) . ?
O44 Er1 2.309(9) 2_656 ?
O44 K6 2.951(10) 2_656 ?
O45 C8 1.221(18) . ?
O45 K6 2.811(12) 2_656 ?
C1 C2 1.516(19) . ?
C2 C3 1.539(17) . ?
C2 H2 0.9800 . ?
C3 C4 1.531(18) . ?
C3 H3 0.9800 . ?
C5 C6 1.54(2) . ?
C6 C7 1.531(19) . ?
C6 H6 0.9800 . ?
C7 C8 1.534(19) . ?
C7 H7 0.9800 . ?
C8 K6 3.158(14) 2_656 ?
O1W K5 3.256(12) 2_667 ?
O4W K7 2.979(15) 2_667 ?
O4W K5 3.368(16) 2_667 ?
O5W K5 2.858(16) 2_667 ?
O6W K4 2.945(16) 2_667 ?
O9W K8 2.20(3) 1_455 ?
O11W K8 3.12(4) 1_455 ?

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
O1 W1 O4 104.9(4) . . ?
O1 W1 O2 100.3(4) . . ?
O4 W1 O2 92.8(4) . . ?
O1 W1 O5 99.3(4) . . ?
O4 W1 O5 89.5(4) . . ?
O2 W1 O5 158.9(4) . . ?
O1 W1 O3 97.1(4) . . ?
O4 W1 O3 157.9(4) . . ?
O2 W1 O3 85.3(3) . . ?
O5 W1 O3 84.7(3) . . ?
O1 W1 O6 168.6(4) . . ?
O4 W1 O6 85.6(3) . . ?
O2 W1 O6 74.3(3) . . ?
O5 W1 O6 85.0(3) . . ?
O3 W1 O6 72.7(3) . . ?
O1 W1 K6 48.2(3) . . ?
O4 W1 K6 93.1(3) . . ?
O2 W1 K6 148.3(3) . . ?
O5 W1 K6 52.2(3) . . ?
O3 W1 K6 100.1(2) . . ?
O6 W1 K6 137.2(2) . . ?
O7 W2 O9 104.5(4) . . ?
O7 W2 O10 100.9(4) . . ?
O9 W2 O10 94.1(4) . . ?
O7 W2 O2 98.7(4) . . ?
O9 W2 O2 94.3(4) . . ?
O10 W2 O2 156.0(3) . . ?
O7 W2 O8 94.5(4) . . ?
O9 W2 O8 161.0(4) . . ?
O10 W2 O8 84.2(3) . . ?
O2 W2 O8 80.6(3) . . ?
O7 W2 O6 165.1(4) . . ?
O9 W2 O6 89.2(3) . . ?
O10 W2 O6 83.7(3) . . ?
O2 W2 O6 74.0(3) . . ?
O8 W2 O6 71.7(3) . . ?
O7 W2 K1 80.5(3) . . ?
O9 W2 K1 140.7(3) . . ?
O10 W2 K1 47.3(3) . . ?
O2 W2 K1 123.9(2) . . ?
O8 W2 K1 44.1(2) . . ?
O6 W2 K1 92.71(19) . . ?
O11 W3 O8 101.2(4) . . ?
O11 W3 O3 100.1(4) . . ?
O8 W3 O3 94.3(4) . . ?
O11 W3 O12 100.7(4) . . ?
O8 W3 O12 90.4(4) . . ?
O3 W3 O12 157.4(4) . . ?
O11 W3 O13 98.8(4) . . ?
O8 W3 O13 159.9(4) . . ?
O3 W3 O13 84.8(4) . . ?
O12 W3 O13 83.3(4) . . ?
O11 W3 O6 173.3(4) . . ?
O8 W3 O6 74.9(3) . . ?
O3 W3 O6 75.0(3) . . ?
O12 W3 O6 84.9(3) . . ?
O13 W3 O6 85.5(3) . . ?
O11 W3 K1 85.7(3) . . ?
O8 W3 K1 45.3(3) . . ?
O3 W3 K1 139.2(2) . . ?
O12 W3 K1 51.7(2) . . ?
O13 W3 K1 134.6(3) . . ?
O6 W3 K1 95.06(18) . . ?
O11 W3 K4 82.7(3) . . ?
O8 W3 K4 145.4(3) . . ?
O3 W3 K4 51.6(3) . . ?
O12 W3 K4 123.0(2) . . ?
O13 W3 K4 40.7(3) . . ?
O6 W3 K4 97.46(19) . . ?
K1 W3 K4 165.89(7) . . ?
O11 W3 K4 27.8(3) . 2_657 ?
O8 W3 K4 83.0(3) . 2_657 ?
O3 W3 K4 80.7(3) . 2_657 ?
O12 W3 K4 121.9(3) . 2_657 ?
O13 W3 K4 116.6(3) . 2_657 ?
O6 W3 K4 145.5(2) . 2_657 ?
K1 W3 K4 87.50(5) . 2_657 ?
K4 W3 K4 85.88(8) . 2_657 ?
O14 W4 O15 103.8(4) . . ?
O14 W4 O10 101.1(4) . . ?
O15 W4 O10 95.5(4) . . ?
O14 W4 O17 97.5(4) . . ?
O15 W4 O17 94.3(4) . . ?
O10 W4 O17 156.2(3) . . ?
O14 W4 O16 93.9(4) . . ?
O15 W4 O16 162.2(4) . . ?
O10 W4 O16 83.0(3) . . ?
O17 W4 O16 81.1(3) . . ?
O14 W4 O18 163.2(4) . . ?
O15 W4 O18 91.2(4) . . ?
O10 W4 O18 84.7(3) . . ?
O17 W4 O18 73.5(3) . . ?
O16 W4 O18 71.0(3) . . ?
O14 W4 K6 46.2(3) . 1_655 ?
O15 W4 K6 57.7(3) . 1_655 ?
O10 W4 K6 101.0(3) . 1_655 ?
O17 W4 K6 102.5(3) . 1_655 ?
O16 W4 K6 140.0(2) . 1_655 ?
O18 W4 K6 148.6(2) . 1_655 ?
O14 W4 K1 82.5(3) . . ?
O15 W4 K1 136.9(3) . . ?
O10 W4 K1 42.1(2) . . ?
O17 W4 K1 127.6(2) . . ?
O16 W4 K1 46.9(2) . . ?
O18 W4 K1 91.7(2) . . ?
K6 W4 K1 113.28(9) 1_655 . ?
O14 W4 K3 95.5(3) . 1_655 ?
O15 W4 K3 37.5(3) . 1_655 ?
O10 W4 K3 132.9(3) . 1_655 ?
O17 W4 K3 58.8(2) . 1_655 ?
O16 W4 K3 139.7(2) . 1_655 ?
O18 W4 K3 91.9(2) . 1_655 ?
K6 W4 K3 61.55(10) 1_655 1_655 ?
K1 W4 K3 173.39(6) . 1_655 ?
O19 W5 O16 101.3(4) . . ?
O19 W5 O12 101.5(4) . . ?
O16 W5 O12 91.0(4) . . ?
O19 W5 O20 99.2(4) . . ?
O16 W5 O20 92.7(4) . . ?
O12 W5 O20 157.8(4) . . ?
O19 W5 O21 100.0(4) . . ?
O16 W5 O21 158.6(3) . . ?
O12 W5 O21 83.1(4) . . ?
O20 W5 O21 85.6(4) . . ?
O19 W5 O18 171.8(4) . . ?
O16 W5 O18 74.5(3) . . ?
O12 W5 O18 85.8(3) . . ?
O20 W5 O18 74.2(3) . . ?
O21 W5 O18 84.5(3) . . ?
O19 W5 K2 82.6(3) . . ?
O16 W5 K2 140.0(3) . . ?
O12 W5 K2 127.6(2) . . ?
O20 W5 K2 47.8(2) . . ?
O21 W5 K2 45.4(3) . . ?
O18 W5 K2 96.0(2) . . ?
O19 W5 K1 87.8(3) . . ?
O16 W5 K1 49.0(3) . . ?
O12 W5 K1 47.7(2) . . ?
O20 W5 K1 141.5(2) . . ?
O21 W5 K1 130.7(3) . . ?
O18 W5 K1 94.4(2) . . ?
K2 W5 K1 168.158(14) . . ?
O22 W6 O23 104.1(4) . . ?
O22 W6 O17 100.1(4) . . ?
O23 W6 O17 94.0(4) . . ?
O22 W6 O24 100.3(4) . . ?
O23 W6 O24 88.4(4) . . ?
O17 W6 O24 158.2(4) . . ?
O22 W6 O20 96.8(4) . . ?
O23 W6 O20 158.7(4) . . ?
O17 W6 O20 85.9(3) . . ?
O24 W6 O20 84.1(3) . . ?
O22 W6 O18 167.7(4) . . ?
O23 W6 O18 86.8(4) . . ?
O17 W6 O18 73.0(3) . . ?
O24 W6 O18 85.5(3) . . ?
O20 W6 O18 72.8(3) . . ?
O22 W6 K8 90.5(3) . . ?
O23 W6 K8 21.1(3) . . ?
O17 W6 K8 112.6(3) . . ?
O24 W6 K8 74.8(2) . . ?
O20 W6 K8 158.7(2) . . ?
O18 W6 K8 101.6(2) . . ?
O22 W6 K2 84.8(3) . . ?
O23 W6 K2 133.7(3) . . ?
O17 W6 K2 129.7(2) . . ?
O24 W6 K2 45.5(2) . . ?
O20 W6 K2 44.0(2) . . ?
O18 W6 K2 91.85(19) . . ?
K8 W6 K2 117.46(6) . . ?
O22 W6 K3 93.1(3) . 1_655 ?
O23 W6 K3 37.8(3) . 1_655 ?
O17 W6 K3 60.1(3) . 1_655 ?
O24 W6 K3 126.1(3) . 1_655 ?
O20 W6 K3 145.8(2) . 1_655 ?
O18 W6 K3 92.2(2) . 1_655 ?
K8 W6 K3 52.95(9) . 1_655 ?
K2 W6 K3 170.24(7) . 1_655 ?
O25 W7 O13 100.7(4) . . ?
O25 W7 O21 101.9(4) . . ?
O13 W7 O21 88.8(4) . . ?
O25 W7 O27 99.2(4) . . ?
O13 W7 O27 91.7(4) . . ?
O21 W7 O27 158.4(3) . . ?
O25 W7 O26 96.2(4) . . ?
O13 W7 O26 163.1(3) . . ?
O21 W7 O26 88.4(4) . . ?
O27 W7 O26 84.9(4) . . ?
O25 W7 O28 168.5(3) . . ?
O13 W7 O28 88.0(3) . . ?
O21 W7 O28 85.6(3) . . ?
O27 W7 O28 72.9(3) . . ?
O26 W7 O28 75.2(3) . . ?
O25 W7 K4 77.7(3) . . ?
O13 W7 K4 50.6(3) . . ?
O21 W7 K4 137.4(3) . . ?
O27 W7 K4 52.4(3) . . ?
O26 W7 K4 134.2(3) . . ?
O28 W7 K4 102.7(2) . . ?
O25 W7 K2 82.9(3) . . ?
O13 W7 K2 133.4(3) . . ?
O21 W7 K2 45.9(3) . . ?
O27 W7 K2 133.9(3) . . ?
O26 W7 K2 49.4(2) . . ?
O28 W7 K2 96.6(2) . . ?
K4 W7 K2 160.53(8) . . ?
O29 W8 O24 101.5(4) . . ?
O29 W8 O26 99.5(4) . . ?
O24 W8 O26 89.8(4) . . ?
O29 W8 O30 100.2(4) . . ?
O24 W8 O30 158.1(4) . . ?
O26 W8 O30 89.9(4) . . ?
O29 W8 O31 104.0(4) . . ?
O24 W8 O31 86.9(4) . . ?
O26 W8 O31 156.4(4) . . ?
O30 W8 O31 84.8(4) . . ?
O29 W8 O28 171.1(4) . . ?
O24 W8 O28 85.2(3) . . ?
O26 W8 O28 74.4(3) . . ?
O30 W8 O28 73.6(3) . . ?
O31 W8 O28 82.1(3) . . ?
O29 W8 K8 90.8(3) . . ?
O24 W8 K8 66.3(3) . . ?
O26 W8 K8 155.5(3) . . ?
O30 W8 K8 110.3(3) . . ?
O31 W8 K8 26.9(3) . . ?
O28 W8 K8 97.44(19) . . ?
O29 W8 K2 87.2(3) . . ?
O24 W8 K2 48.4(2) . . ?
O26 W8 K2 46.6(3) . . ?
O30 W8 K2 136.4(3) . . ?
O31 W8 K2 135.3(3) . . ?
O28 W8 K2 92.92(18) . . ?
K8 W8 K2 112.48(5) . . ?
O32 W9 O33 104.8(4) . . ?
O32 W9 O5 100.4(4) . . ?
O33 W9 O5 93.8(4) . . ?
O32 W9 O27 98.2(4) . . ?
O33 W9 O27 156.3(3) . . ?
O5 W9 O27 87.7(3) . . ?
O32 W9 O30 99.6(4) . . ?
O33 W9 O30 86.7(4) . . ?
O5 W9 O30 159.2(4) . . ?
O27 W9 O30 83.8(4) . . ?
O32 W9 O28 167.1(4) . . ?
O33 W9 O28 85.8(3) . . ?
O5 W9 O28 86.1(3) . . ?
O27 W9 O28 70.7(3) . . ?
O30 W9 O28 73.2(3) . . ?
O32 W9 K6 49.2(3) . . ?
O33 W9 K6 96.9(3) . . ?
O5 W9 K6 52.1(3) . . ?
O27 W9 K6 102.6(3) . . ?
O30 W9 K6 148.5(3) . . ?
O28 W9 K6 138.1(2) . . ?
O32 W9 K4 85.1(3) . . ?
O33 W9 K4 145.5(3) . . ?
O5 W9 K4 51.7(3) . . ?
O27 W9 K4 41.6(3) . . ?
O30 W9 K4 124.9(3) . . ?
O28 W9 K4 90.3(2) . . ?
K6 W9 K4 64.33(9) . . ?
O4 Er1 O43 91.3(3) . 2_656 ?
O4 Er1 O44 80.4(3) . 2_656 ?
O43 Er1 O44 69.3(3) 2_656 2_656 ?
O4 Er1 O37 144.2(3) . 2_656 ?
O43 Er1 O37 113.9(3) 2_656 2_656 ?
O44 Er1 O37 85.3(3) 2_656 2_656 ?
O4 Er1 O36 72.9(3) . . ?
O43 Er1 O36 83.5(3) 2_656 . ?
O44 Er1 O36 141.2(3) 2_656 . ?
O37 Er1 O36 132.1(3) 2_656 . ?
O4 Er1 O37 137.3(3) . . ?
O43 Er1 O37 70.1(3) 2_656 . ?
O44 Er1 O37 123.8(3) 2_656 . ?
O37 Er1 O37 77.3(3) 2_656 . ?
O36 Er1 O37 67.1(3) . . ?
O4 Er1 O33 76.7(3) . . ?
O43 Er1 O33 153.9(3) 2_656 . ?
O44 Er1 O33 85.7(3) 2_656 . ?
O37 Er1 O33 69.6(3) 2_656 . ?
O36 Er1 O33 114.0(3) . . ?
O37 Er1 O33 133.4(3) . . ?
O4 Er1 O34 107.1(3) . . ?
O43 Er1 O34 137.8(3) 2_656 . ?
O44 Er1 O34 149.6(3) 2_656 . ?
O37 Er1 O34 71.5(3) 2_656 . ?
O36 Er1 O34 67.2(3) . . ?
O37 Er1 O34 70.7(3) . . ?
O33 Er1 O34 68.2(3) . . ?
O4 Er1 Er2 114.9(2) . . ?
O43 Er1 Er2 153.7(2) 2_656 . ?
O44 Er1 Er2 110.9(2) 2_656 . ?
O37 Er1 Er2 42.1(2) 2_656 . ?
O36 Er1 Er2 105.7(2) . . ?
O37 Er1 Er2 90.5(2) . . ?
O33 Er1 Er2 43.2(2) . . ?
O34 Er1 Er2 39.0(2) . . ?
O4 Er1 Er1 171.7(2) . 2_656 ?
O43 Er1 Er1 92.1(2) 2_656 2_656 ?
O44 Er1 Er1 108.0(2) 2_656 2_656 ?
O37 Er1 Er1 39.18(19) 2_656 2_656 ?
O36 Er1 Er1 99.9(2) . 2_656 ?
O37 Er1 Er1 38.17(19) . 2_656 ?
O33 Er1 Er1 102.98(19) . 2_656 ?
O34 Er1 Er1 65.5(2) . 2_656 ?
Er2 Er1 Er1 62.279(18) . 2_656 ?
O4 Er1 Er2 124.5(2) . 2_656 ?
O43 Er1 Er2 34.9(2) 2_656 2_656 ?
O44 Er1 Er2 87.8(2) 2_656 2_656 ?
O37 Er1 Er2 87.20(19) 2_656 2_656 ?
O36 Er1 Er2 84.8(2) . 2_656 ?
O37 Er1 Er2 39.1(2) . 2_656 ?
O33 Er1 Er2 156.32(18) . 2_656 ?
O34 Er1 Er2 109.7(2) . 2_656 ?
Er2 Er1 Er2 120.026(17) . 2_656 ?
Er1 Er1 Er2 57.748(18) 2_656 2_656 ?
O38 Er2 O31 124.1(3) 2_656 . ?
O38 Er2 O34 140.6(3) 2_656 . ?
O31 Er2 O34 81.8(3) . . ?
O38 Er2 O43 91.1(3) 2_656 . ?
O31 Er2 O43 136.9(3) . . ?
O34 Er2 O43 84.7(3) . . ?
O38 Er2 O40 76.1(4) 2_656 . ?
O31 Er2 O40 85.9(3) . . ?
O34 Er2 O40 140.3(3) . . ?
O43 Er2 O40 79.0(3) . . ?
O38 Er2 O37 69.9(3) 2_656 2_656 ?
O31 Er2 O37 142.1(3) . 2_656 ?
O34 Er2 O37 72.1(3) . 2_656 ?
O43 Er2 O37 68.3(3) . 2_656 ?
O40 Er2 O37 131.4(3) . 2_656 ?
O38 Er2 O42 138.1(3) 2_656 . ?
O31 Er2 O42 69.2(3) . . ?
O34 Er2 O42 75.6(3) . . ?
O43 Er2 O42 67.9(3) . . ?
O40 Er2 O42 64.8(3) . . ?
O37 Er2 O42 127.0(3) 2_656 . ?
O38 Er2 O33 86.2(3) 2_656 . ?
O31 Er2 O33 78.7(3) . . ?
O34 Er2 O33 69.1(3) . . ?
O43 Er2 O33 132.9(3) . . ?
O40 Er2 O33 144.3(3) . . ?
O37 Er2 O33 66.7(3) 2_656 . ?
O42 Er2 O33 134.9(3) . . ?
O38 Er2 K8 150.0(3) 2_656 . ?
O31 Er2 K8 40.5(2) . . ?
O34 Er2 K8 69.2(2) . . ?
O43 Er2 K8 96.5(2) . . ?
O40 Er2 K8 77.0(2) . . ?
O37 Er2 K8 139.62(19) 2_656 . ?
O42 Er2 K8 29.8(2) . . ?
O33 Er2 K8 108.77(19) . . ?
O38 Er2 Er1 99.6(3) 2_656 . ?
O31 Er2 Er1 103.0(2) . . ?
O34 Er2 Er1 41.9(2) . . ?
O43 Er2 Er1 93.3(2) . . ?
O40 Er2 Er1 170.9(2) . . ?
O37 Er2 Er1 39.95(19) 2_656 . ?
O42 Er2 Er1 116.7(2) . . ?
O33 Er2 Er1 41.50(18) . . ?
K8 Er2 Er1 108.82(7) . . ?
O38 Er2 Er1 90.9(2) 2_656 2_656 ?
O31 Er2 Er1 144.3(2) . 2_656 ?
O34 Er2 Er1 64.7(2) . 2_656 ?
O43 Er2 Er1 33.8(2) . 2_656 ?
O40 Er2 Er1 111.7(2) . 2_656 ?
O37 Er2 Er1 38.13(19) 2_656 2_656 ?
O42 Er2 Er1 90.0(2) . 2_656 ?
O33 Er2 Er1 99.12(18) . 2_656 ?
K8 Er2 Er1 111.32(6) . 2_656 ?
Er1 Er2 Er1 59.974(17) . 2_656 ?
O28 As1 O18 97.0(4) . . ?
O28 As1 O6 97.6(4) . . ?
O18 As1 O6 97.8(4) . . ?
O8 K1 O8 180.000(1) 2_757 . ?
O8 K1 O10 57.2(2) 2_757 2_757 ?
O8 K1 O10 122.8(2) . 2_757 ?
O8 K1 O10 122.8(2) 2_757 . ?
O8 K1 O10 57.2(2) . . ?
O10 K1 O10 180.000(2) 2_757 . ?
O8 K1 O12 56.2(2) 2_757 2_757 ?
O8 K1 O12 123.8(2) . 2_757 ?
O10 K1 O12 66.1(2) 2_757 2_757 ?
O10 K1 O12 113.9(2) . 2_757 ?
O8 K1 O12 123.8(2) 2_757 . ?
O8 K1 O12 56.2(2) . . ?
O10 K1 O12 113.9(2) 2_757 . ?
O10 K1 O12 66.1(2) . . ?
O12 K1 O12 180.0(3) 2_757 . ?
O8 K1 O16 94.4(2) 2_757 2_757 ?
O8 K1 O16 85.6(2) . 2_757 ?
O10 K1 O16 54.5(2) 2_757 2_757 ?
O10 K1 O16 125.5(2) . 2_757 ?
O12 K1 O16 53.3(2) 2_757 2_757 ?
O12 K1 O16 126.7(2) . 2_757 ?
O8 K1 O16 85.6(2) 2_757 . ?
O8 K1 O16 94.4(2) . . ?
O10 K1 O16 125.5(2) 2_757 . ?
O10 K1 O16 54.5(2) . . ?
O12 K1 O16 126.7(2) 2_757 . ?
O12 K1 O16 53.3(2) . . ?
O16 K1 O16 180.0(2) 2_757 . ?
O8 K1 W3 28.80(17) 2_757 2_757 ?
O8 K1 W3 151.20(17) . 2_757 ?
O10 K1 W3 67.66(16) 2_757 2_757 ?
O10 K1 W3 112.34(16) . 2_757 ?
O12 K1 W3 30.90(17) 2_757 2_757 ?
O12 K1 W3 149.10(17) . 2_757 ?
O16 K1 W3 80.69(16) 2_757 2_757 ?
O16 K1 W3 99.31(16) . 2_757 ?
O8 K1 W3 151.20(17) 2_757 . ?
O8 K1 W3 28.80(17) . . ?
O10 K1 W3 112.34(16) 2_757 . ?
O10 K1 W3 67.66(16) . . ?
O12 K1 W3 149.10(17) 2_757 . ?
O12 K1 W3 30.90(17) . . ?
O16 K1 W3 99.31(16) 2_757 . ?
O16 K1 W3 80.69(15) . . ?
W3 K1 W3 180.000(1) 2_757 . ?
O8 K1 W2 32.24(17) 2_757 2_757 ?
O8 K1 W2 147.76(17) . 2_757 ?
O10 K1 W2 29.24(18) 2_757 2_757 ?
O10 K1 W2 150.76(18) . 2_757 ?
O12 K1 W2 68.67(16) 2_757 2_757 ?
O12 K1 W2 111.33(16) . 2_757 ?
O16 K1 W2 80.55(16) 2_757 2_757 ?
O16 K1 W2 99.45(16) . 2_757 ?
W3 K1 W2 53.842(11) 2_757 2_757 ?
W3 K1 W2 126.158(11) . 2_757 ?
O8 K1 W2 147.76(17) 2_757 . ?
O8 K1 W2 32.24(17) . . ?
O10 K1 W2 150.76(18) 2_757 . ?
O10 K1 W2 29.24(18) . . ?
O12 K1 W2 111.33(16) 2_757 . ?
O12 K1 W2 68.67(16) . . ?
O16 K1 W2 99.45(16) 2_757 . ?
O16 K1 W2 80.55(16) . . ?
W3 K1 W2 126.158(11) 2_757 . ?
W3 K1 W2 53.842(11) . . ?
W2 K1 W2 180.0 2_757 . ?
O21 K2 O21 180.000(1) 2_767 . ?
O21 K2 O20 55.6(2) 2_767 2_767 ?
O21 K2 O20 124.4(2) . 2_767 ?
O21 K2 O20 124.4(2) 2_767 . ?
O21 K2 O20 55.6(2) . . ?
O20 K2 O20 180.000(4) 2_767 . ?
O21 K2 O26 56.9(2) 2_767 2_767 ?
O21 K2 O26 123.1(2) . 2_767 ?
O20 K2 O26 94.8(2) 2_767 2_767 ?
O20 K2 O26 85.2(2) . 2_767 ?
O21 K2 O26 123.1(2) 2_767 . ?
O21 K2 O26 56.9(2) . . ?
O20 K2 O26 85.2(2) 2_767 . ?
O20 K2 O26 94.8(2) . . ?
O26 K2 O26 180.0(3) 2_767 . ?
O21 K2 O24 66.7(2) 2_767 2_767 ?
O21 K2 O24 113.3(2) . 2_767 ?
O20 K2 O24 54.6(2) 2_767 2_767 ?
O20 K2 O24 125.4(2) . 2_767 ?
O26 K2 O24 55.1(2) 2_767 2_767 ?
O26 K2 O24 124.9(2) . 2_767 ?
O21 K2 O24 113.3(2) 2_767 . ?
O21 K2 O24 66.7(2) . . ?
O20 K2 O24 125.4(2) 2_767 . ?
O20 K2 O24 54.6(2) . . ?
O26 K2 O24 124.9(2) 2_767 . ?
O26 K2 O24 55.1(2) . . ?
O24 K2 O24 180.000(2) 2_767 . ?
O21 K2 W7 29.19(16) 2_767 2_767 ?
O21 K2 W7 150.81(16) . 2_767 ?
O20 K2 W7 81.18(18) 2_767 2_767 ?
O20 K2 W7 98.82(18) . 2_767 ?
O26 K2 W7 31.52(18) 2_767 2_767 ?
O26 K2 W7 148.48(18) . 2_767 ?
O24 K2 W7 67.62(18) 2_767 2_767 ?
O24 K2 W7 112.38(18) . 2_767 ?
O21 K2 W7 150.81(16) 2_767 . ?
O21 K2 W7 29.19(16) . . ?
O20 K2 W7 98.82(18) 2_767 . ?
O20 K2 W7 81.18(18) . . ?
O26 K2 W7 148.48(18) 2_767 . ?
O26 K2 W7 31.52(18) . . ?
O24 K2 W7 112.38(18) 2_767 . ?
O24 K2 W7 67.62(18) . . ?
W7 K2 W7 180.000(14) 2_767 . ?
O21 K2 W5 149.62(16) 2_767 . ?
O21 K2 W5 30.38(16) . . ?
O20 K2 W5 150.50(18) 2_767 . ?
O20 K2 W5 29.50(18) . . ?
O26 K2 W5 96.42(17) 2_767 . ?
O26 K2 W5 83.58(17) . . ?
O24 K2 W5 112.26(17) 2_767 . ?
O24 K2 W5 67.74(17) . . ?
W7 K2 W5 120.644(12) 2_767 . ?
W7 K2 W5 59.356(12) . . ?
O21 K2 W5 30.38(16) 2_767 2_767 ?
O21 K2 W5 149.62(16) . 2_767 ?
O20 K2 W5 29.50(18) 2_767 2_767 ?
O20 K2 W5 150.50(18) . 2_767 ?
O26 K2 W5 83.58(17) 2_767 2_767 ?
O26 K2 W5 96.42(17) . 2_767 ?
O24 K2 W5 67.74(17) 2_767 2_767 ?
O24 K2 W5 112.26(17) . 2_767 ?
W7 K2 W5 59.356(12) 2_767 2_767 ?
W7 K2 W5 120.644(12) . 2_767 ?
W5 K2 W5 180.000(15) . 2_767 ?
O23 K3 O39 135.7(3) 1_455 2_656 ?
O23 K3 O3W 134.7(4) 1_455 . ?
O39 K3 O3W 80.4(4) 2_656 . ?
O23 K3 O15 69.4(3) 1_455 1_455 ?
O39 K3 O15 154.8(3) 2_656 1_455 ?
O3W K3 O15 77.4(4) . 1_455 ?
O23 K3 O35 72.5(3) 1_455 1_455 ?
O39 K3 O35 98.5(3) 2_656 1_455 ?
O3W K3 O35 76.2(4) . 1_455 ?
O15 K3 O35 87.5(3) 1_455 1_455 ?
O23 K3 O11W 67.2(7) 1_455 . ?
O39 K3 O11W 73.1(7) 2_656 . ?
O3W K3 O11W 153.0(8) . . ?
O15 K3 O11W 129.6(7) 1_455 . ?
O35 K3 O11W 102.5(7) 1_455 . ?
O23 K3 O32 122.5(3) 1_455 . ?
O39 K3 O32 77.2(3) 2_656 . ?
O3W K3 O32 86.2(4) . . ?
O15 K3 O32 89.7(3) 1_455 . ?
O35 K3 O32 162.4(3) 1_455 . ?
O11W K3 O32 92.7(7) . . ?
O23 K3 K8 34.5(2) 1_455 1_455 ?
O39 K3 K8 106.6(3) 2_656 1_455 ?
O3W K3 K8 127.0(3) . 1_455 ?
O15 K3 K8 96.3(2) 1_455 1_455 ?
O35 K3 K8 50.9(2) 1_455 1_455 ?
O11W K3 K8 58.7(7) . 1_455 ?
O32 K3 K8 146.7(2) . 1_455 ?
O23 K3 W6 23.74(19) 1_455 1_455 ?
O39 K3 W6 138.4(3) 2_656 1_455 ?
O3W K3 W6 141.2(3) . 1_455 ?
O15 K3 W6 64.3(2) 1_455 1_455 ?
O35 K3 W6 95.6(2) 1_455 1_455 ?
O11W K3 W6 65.6(7) . 1_455 ?
O32 K3 W6 98.8(2) . 1_455 ?
K8 K3 W6 55.89(8) 1_455 1_455 ?
O23 K3 K6 119.0(2) 1_455 . ?
O39 K3 K6 103.9(2) 2_656 . ?
O3W K3 K6 52.1(3) . . ?
O15 K3 K6 52.5(2) 1_455 . ?
O35 K3 K6 117.5(3) 1_455 . ?
O11W K3 K6 139.7(7) . . ?
O32 K3 K6 49.0(2) . . ?
K8 K3 K6 148.77(15) 1_455 . ?
W6 K3 K6 103.78(12) 1_455 . ?
O23 K3 W4 63.1(2) 1_455 1_455 ?
O39 K3 W4 154.8(3) 2_656 1_455 ?
O3W K3 W4 95.0(3) . 1_455 ?
O15 K3 W4 21.9(2) 1_455 1_455 ?
O35 K3 W4 104.4(2) 1_455 1_455 ?
O11W K3 W4 111.2(7) . 1_455 ?
O32 K3 W4 77.8(2) . 1_455 ?
K8 K3 W4 96.08(11) 1_455 1_455 ?
W6 K3 W4 49.70(5) 1_455 1_455 ?
K6 K3 W4 56.06(9) . 1_455 ?
O14 K4 O11 79.8(3) 1_455 2_657 ?
O14 K4 O13 151.5(3) 1_455 . ?
O11 K4 O13 116.9(3) 2_657 . ?
O14 K4 O27 100.8(3) 1_455 . ?
O11 K4 O27 168.1(3) 2_657 . ?
O13 K4 O27 58.0(2) . . ?
O14 K4 O6W 142.6(4) 1_455 2_667 ?
O11 K4 O6W 81.9(4) 2_657 2_667 ?
O13 K4 O6W 65.6(4) . 2_667 ?
O27 K4 O6W 103.8(4) . 2_667 ?
O14 K4 O4W 80.1(4) 1_455 . ?
O11 K4 O4W 83.3(4) 2_657 . ?
O13 K4 O4W 122.7(4) . . ?
O27 K4 O4W 108.6(4) . . ?
O6W K4 O4W 65.5(4) 2_667 . ?
O14 K4 O3 115.8(3) 1_455 . ?
O11 K4 O3 79.6(3) 2_657 . ?
O13 K4 O3 51.5(2) . . ?
O27 K4 O3 89.6(2) . . ?
O6W K4 O3 92.3(3) 2_667 . ?
O4W K4 O3 153.7(3) . . ?
O14 K4 O5 88.0(3) 1_455 . ?
O11 K4 O5 115.8(3) 2_657 . ?
O13 K4 O5 64.3(2) . . ?
O27 K4 O5 52.6(2) . . ?
O6W K4 O5 129.5(4) 2_667 . ?
O4W K4 O5 155.5(3) . . ?
O3 K4 O5 50.5(2) . . ?
O14 K4 W7 133.0(3) 1_455 . ?
O11 K4 W7 146.5(2) 2_657 . ?
O13 K4 W7 31.31(18) . . ?
O27 K4 W7 32.51(17) . . ?
O6W K4 W7 73.6(3) 2_667 . ?
O4W K4 W7 106.1(3) . . ?
O3 K4 W7 78.99(18) . . ?
O5 K4 W7 67.22(17) . . ?
O14 K4 W3 143.3(3) 1_455 . ?
O11 K4 W3 91.5(2) 2_657 . ?
O13 K4 W3 27.64(18) . . ?
O27 K4 W3 80.92(18) . . ?
O6W K4 W3 69.1(3) 2_667 . ?
O4W K4 W3 134.6(3) . . ?
O3 K4 W3 27.83(16) . . ?
O5 K4 W3 63.77(16) . . ?
W7 K4 W3 58.71(5) . . ?
O14 K4 W9 85.9(2) 1_455 . ?
O11 K4 W9 141.6(3) 2_657 . ?
O13 K4 W9 66.55(19) . . ?
O27 K4 W9 27.89(17) . . ?
O6W K4 W9 127.0(3) 2_667 . ?
O4W K4 W9 129.2(3) . . ?
O3 K4 W9 74.93(18) . . ?
O5 K4 W9 27.56(16) . . ?
W7 K4 W9 53.54(5) . . ?
W3 K4 W9 79.02(7) . . ?
O14 K4 W3 88.0(2) 1_455 2_657 ?
O11 K4 W3 17.5(2) 2_657 2_657 ?
O13 K4 W3 114.8(2) . 2_657 ?
O27 K4 W3 170.6(2) . 2_657 ?
O6W K4 W3 66.9(3) 2_667 2_657 ?
O4W K4 W3 69.3(3) . 2_657 ?
O3 K4 W3 89.63(18) . 2_657 ?
O5 K4 W3 132.0(2) . 2_657 ?
W7 K4 W3 138.34(11) . 2_657 ?
W3 K4 W3 94.12(8) . 2_657 ?
W9 K4 W3 158.86(14) . 2_657 ?
O1W K5 O25 143.6(3) . 2_667 ?
O1W K5 O14W 104.2(7) . . ?
O25 K5 O14W 84.2(6) 2_667 . ?
O1W K5 O22 141.0(3) . 1_455 ?
O25 K5 O22 74.3(3) 2_667 1_455 ?
O14W K5 O22 84.5(7) . 1_455 ?
O1W K5 O5W 72.4(4) . 2_667 ?
O25 K5 O5W 129.1(4) 2_667 2_667 ?
O14W K5 O5W 129.4(7) . 2_667 ?
O22 K5 O5W 73.0(4) 1_455 2_667 ?
O1W K5 O5W 70.3(4) . . ?
O25 K5 O5W 76.0(3) 2_667 . ?
O14W K5 O5W 125.5(7) . . ?
O22 K5 O5W 134.6(4) 1_455 . ?
O5W K5 O5W 101.5(4) 2_667 . ?
O1W K5 O8W 68.5(4) . . ?
O25 K5 O8W 142.5(4) 2_667 . ?
O14W K5 O8W 64.4(7) . . ?
O22 K5 O8W 82.3(5) 1_455 . ?
O5W K5 O8W 67.9(5) 2_667 . ?
O5W K5 O8W 138.7(5) . . ?
O1W K5 O1W 104.6(3) . 2_667 ?
O25 K5 O1W 71.2(3) 2_667 2_667 ?
O14W K5 O1W 151.2(6) . 2_667 ?
O22 K5 O1W 74.7(3) 1_455 2_667 ?
O5W K5 O1W 63.2(4) 2_667 2_667 ?
O5W K5 O1W 63.6(4) . 2_667 ?
O8W K5 O1W 130.0(5) . 2_667 ?
O1W K5 O4W 68.6(4) . 2_667 ?
O25 K5 O4W 86.8(3) 2_667 2_667 ?
O14W K5 O4W 59.6(7) . 2_667 ?
O22 K5 O4W 141.1(4) 1_455 2_667 ?
O5W K5 O4W 140.7(4) 2_667 2_667 ?
O5W K5 O4W 68.9(4) . 2_667 ?
O8W K5 O4W 93.8(5) . 2_667 ?
O1W K5 O4W 131.1(3) 2_667 2_667 ?
O1W K5 K5 59.6(3) . 2_667 ?
O25 K5 K5 107.5(3) 2_667 2_667 ?
O14W K5 K5 163.6(6) . 2_667 ?
O22 K5 K5 109.4(3) 1_455 2_667 ?
O5W K5 K5 51.5(3) 2_667 2_667 ?
O5W K5 K5 50.0(3) . 2_667 ?
O8W K5 K5 107.8(4) . 2_667 ?
O1W K5 K5 45.0(2) 2_667 2_667 ?
O4W K5 K5 108.6(3) 2_667 2_667 ?
O1W K5 K7 50.9(3) . . ?
O25 K5 K7 128.1(3) 2_667 . ?
O14W K5 K7 53.4(6) . . ?
O22 K5 K7 122.1(2) 1_455 . ?
O5W K5 K7 102.3(3) 2_667 . ?
O5W K5 K7 103.2(3) . . ?
O8W K5 K7 46.4(4) . . ?
O1W K5 K7 155.4(2) 2_667 . ?
O4W K5 K7 48.2(3) 2_667 . ?
K5 K5 K7 110.45(16) 2_667 . ?
O1W K5 K4 96.6(3) . 2_667 ?
O25 K5 K4 50.3(2) 2_667 2_667 ?
O14W K5 K4 76.2(6) . 2_667 ?
O22 K5 K4 122.3(2) 1_455 2_667 ?
O5W K5 K4 153.5(3) 2_667 2_667 ?
O5W K5 K4 52.1(3) . 2_667 ?
O8W K5 K4 131.4(4) . 2_667 ?
O1W K5 K4 98.1(2) 2_667 2_667 ?
O4W K5 K4 39.7(2) 2_667 2_667 ?
K5 K5 K4 102.08(16) 2_667 2_667 ?
K7 K5 K4 87.61(13) . 2_667 ?
O45 K6 O7W 66.6(5) 2_656 . ?
O45 K6 O14 159.3(4) 2_656 1_455 ?
O7W K6 O14 97.9(5) . 1_455 ?
O45 K6 O44 45.0(3) 2_656 2_656 ?
O7W K6 O44 104.4(4) . 2_656 ?
O14 K6 O44 155.4(3) 1_455 2_656 ?
O45 K6 O1 72.1(3) 2_656 . ?
O7W K6 O1 119.3(5) . . ?
O14 K6 O1 107.0(3) 1_455 . ?
O44 K6 O1 70.9(3) 2_656 . ?
O45 K6 O32 120.0(3) 2_656 . ?
O7W K6 O32 131.5(5) . . ?
O14 K6 O32 80.4(3) 1_455 . ?
O44 K6 O32 77.0(3) 2_656 . ?
O1 K6 O32 107.2(3) . . ?
O45 K6 O13W 100.3(6) 2_656 . ?
O7W K6 O13W 77.9(7) . . ?
O14 K6 O13W 61.6(6) 1_455 . ?
O44 K6 O13W 133.2(6) 2_656 . ?
O1 K6 O13W 67.9(6) . . ?
O32 K6 O13W 136.3(6) . . ?
O45 K6 O5 108.1(3) 2_656 . ?
O7W K6 O5 173.7(5) . . ?
O14 K6 O5 86.4(3) 1_455 . ?
O44 K6 O5 72.2(3) 2_656 . ?
O1 K6 O5 54.8(3) . . ?
O32 K6 O5 53.6(2) . . ?
O13W K6 O5 100.4(6) . . ?
O45 K6 C8 22.7(4) 2_656 2_656 ?
O7W K6 C8 88.1(5) . 2_656 ?
O14 K6 C8 170.9(4) 1_455 2_656 ?
O44 K6 C8 23.8(3) 2_656 2_656 ?
O1 K6 C8 64.0(3) . 2_656 ?
O32 K6 C8 100.8(4) . 2_656 ?
O13W K6 C8 113.4(6) . 2_656 ?
O5 K6 C8 87.1(3) . 2_656 ?
O45 K6 O3W 65.3(4) 2_656 . ?
O7W K6 O3W 58.3(5) . . ?
O14 K6 O3W 119.4(3) 1_455 . ?
O44 K6 O3W 66.3(3) 2_656 . ?
O1 K6 O3W 133.6(3) . . ?
O32 K6 O3W 80.2(4) . . ?
O13W K6 O3W 136.1(6) . . ?
O5 K6 O3W 123.3(4) . . ?
C8 K6 O3W 69.6(4) 2_656 . ?
O45 K6 O15 121.0(3) 2_656 1_455 ?
O7W K6 O15 59.3(4) . 1_455 ?
O14 K6 O15 53.6(3) 1_455 1_455 ?
O44 K6 O15 132.0(3) 2_656 1_455 ?
O1 K6 O15 156.9(3) . 1_455 ?
O32 K6 O15 83.4(3) . 1_455 ?
O13W K6 O15 90.1(5) . 1_455 ?
O5 K6 O15 126.9(3) . 1_455 ?
C8 K6 O15 135.5(3) 2_656 1_455 ?
O3W K6 O15 67.5(3) . 1_455 ?
O45 K6 W4 144.2(3) 2_656 1_455 ?
O7W K6 W4 77.7(4) . 1_455 ?
O14 K6 W4 26.10(19) 1_455 1_455 ?
O44 K6 W4 153.5(3) 2_656 1_455 ?
O1 K6 W4 131.8(2) . 1_455 ?
O32 K6 W4 82.04(19) . 1_455 ?
O13W K6 W4 73.3(5) . 1_455 ?
O5 K6 W4 107.71(19) . 1_455 ?
C8 K6 W4 162.8(3) 2_656 1_455 ?
O3W K6 W4 94.4(3) . 1_455 ?
O15 K6 W4 27.50(17) 1_455 1_455 ?
O12W K7 O19 109.7(7) . 2_767 ?
O12W K7 O7 73.2(7) . 1_565 ?
O19 K7 O7 73.3(3) 2_767 1_565 ?
O12W K7 O8W 84.7(8) . . ?
O19 K7 O8W 135.8(5) 2_767 . ?
O7 K7 O8W 149.1(5) 1_565 . ?
O12W K7 O29 67.2(6) . . ?
O19 K7 O29 69.9(3) 2_767 . ?
O7 K7 O29 110.5(3) 1_565 . ?
O8W K7 O29 78.9(5) . . ?
O12W K7 O4W 147.9(7) . 2_667 ?
O19 K7 O4W 78.9(3) 2_767 2_667 ?
O7 K7 O4W 80.4(4) 1_565 2_667 ?
O8W K7 O4W 111.2(6) . 2_667 ?
O29 K7 O4W 141.4(4) . 2_667 ?
O12W K7 O1W 141.3(7) . . ?
O19 K7 O1W 74.5(3) 2_767 . ?
O7 K7 O1W 139.9(3) 1_565 . ?
O8W K7 O1W 69.6(5) . . ?
O29 K7 O1W 79.5(3) . . ?
O4W K7 O1W 70.5(4) 2_667 . ?
O12W K7 O14W 106.2(8) . . ?
O19 K7 O14W 139.6(6) 2_767 . ?
O7 K7 O14W 100.7(6) 1_565 . ?
O8W K7 O14W 64.7(7) . . ?
O29 K7 O14W 143.6(6) . . ?
O4W K7 O14W 60.8(6) 2_667 . ?
O1W K7 O14W 88.8(6) . . ?
O12W K7 K5 136.2(7) . . ?
O19 K7 K5 111.1(2) 2_767 . ?
O7 K7 K5 134.1(3) 1_565 . ?
O8W K7 K5 54.8(4) . . ?
O29 K7 K5 113.7(3) . . ?
O4W K7 K5 57.4(3) 2_667 . ?
O1W K7 K5 43.7(2) . . ?
O14W K7 K5 45.2(5) . . ?
O42 K8 O23 150.8(5) . . ?
O42 K8 O9W 95.4(7) . 1_655 ?
O23 K8 O9W 108.1(7) . 1_655 ?
O42 K8 O31 82.7(4) . . ?
O23 K8 O31 78.5(4) . . ?
O9W K8 O31 94.3(7) 1_655 . ?
O42 K8 O35 69.3(4) . . ?
O23 K8 O35 92.1(4) . . ?
O9W K8 O35 157.2(7) 1_655 . ?
O31 K8 O35 100.1(4) . . ?
O42 K8 C6 16.3(4) . . ?
O23 K8 C6 167.0(5) . . ?
O9W K8 C6 82.1(7) 1_655 . ?
O31 K8 C6 93.0(4) . . ?
O35 K8 C6 79.6(4) . . ?
O42 K8 O11W 130.7(7) . 1_655 ?
O23 K8 O11W 74.6(7) . 1_655 ?
O9W K8 O11W 72.3(9) 1_655 1_655 ?
O31 K8 O11W 144.0(7) . 1_655 ?
O35 K8 O11W 104.3(7) . 1_655 ?
C6 K8 O11W 117.0(7) . 1_655 ?
O42 K8 K3 121.9(3) . 1_655 ?
O23 K8 K3 55.8(3) . 1_655 ?
O9W K8 K3 126.9(6) 1_655 1_655 ?
O31 K8 K3 124.3(3) . 1_655 ?
O35 K8 K3 56.8(2) . 1_655 ?
C6 K8 K3 124.7(3) . 1_655 ?
O11W K8 K3 54.9(7) 1_655 1_655 ?
O42 K8 C1 67.8(4) . . ?
O23 K8 C1 86.9(4) . . ?
O9W K8 C1 162.6(7) 1_655 . ?
O31 K8 C1 79.7(3) . . ?
O35 K8 C1 20.4(3) . . ?
C6 K8 C1 81.9(4) . . ?
O11W K8 C1 121.6(7) 1_655 . ?
K3 K8 C1 68.7(2) 1_655 . ?
O42 K8 O34 59.5(4) . . ?
O23 K8 O34 91.6(4) . . ?
O9W K8 O34 144.2(7) 1_655 . ?
O31 K8 O34 59.8(3) . . ?
O35 K8 O34 41.1(3) . . ?
C6 K8 O34 75.6(3) . . ?
O11W K8 O34 143.2(7) 1_655 . ?
K3 K8 O34 88.92(18) 1_655 . ?
C1 K8 O34 21.9(3) . . ?
O42 K8 Er2 43.5(3) . . ?
O23 K8 Er2 111.5(3) . . ?
O9W K8 Er2 105.0(6) 1_655 . ?
O31 K8 Er2 40.6(2) . . ?
O35 K8 Er2 76.0(2) . . ?
C6 K8 Er2 56.9(3) . . ?
O11W K8 Er2 173.9(7) 1_655 . ?
K3 K8 Er2 128.11(14) 1_655 . ?
C1 K8 Er2 60.1(2) . . ?
O34 K8 Er2 39.20(15) . . ?
O42 K8 W6 157.6(4) . . ?
O23 K8 W6 20.2(3) . . ?
O9W K8 W6 88.4(6) 1_655 . ?
O31 K8 W6 75.0(2) . . ?
O35 K8 W6 112.3(3) . . ?
C6 K8 W6 164.2(3) . . ?
O11W K8 W6 71.5(7) 1_655 . ?
K3 K8 W6 71.15(10) 1_655 . ?
C1 K8 W6 105.5(3) . . ?
O34 K8 W6 106.02(18) . . ?
Er2 K8 W6 114.24(10) . . ?
W1 O1 K6 106.9(4) . . ?
W1 O2 W2 118.6(5) . . ?
W3 O3 W1 119.6(4) . . ?
W3 O3 K4 100.6(3) . . ?
W1 O3 K4 109.2(3) . . ?
W1 O4 Er1 151.9(5) . . ?
W9 O5 W1 146.9(5) . . ?
W9 O5 K6 99.3(3) . . ?
W1 O5 K6 97.5(3) . . ?
W9 O5 K4 100.7(3) . . ?
W1 O5 K4 109.4(3) . . ?
K6 O5 K4 83.5(2) . . ?
As1 O6 W2 116.6(4) . . ?
As1 O6 W1 117.9(4) . . ?
W2 O6 W1 91.2(3) . . ?
As1 O6 W3 134.7(4) . . ?
W2 O6 W3 94.2(3) . . ?
W1 O6 W3 92.0(3) . . ?
W2 O7 K7 136.1(5) . 1_545 ?
W3 O8 W2 119.0(4) . . ?
W3 O8 K1 105.9(4) . . ?
W2 O8 K1 103.7(3) . . ?
W4 O10 W2 144.2(5) . . ?
W4 O10 K1 111.6(4) . . ?
W2 O10 K1 103.5(3) . . ?
W3 O11 K4 134.7(5) . 2_657 ?
W5 O12 W3 155.7(5) . . ?
W5 O12 K1 103.7(3) . . ?
W3 O12 K1 97.4(3) . . ?
W7 O13 W3 148.8(5) . . ?
W7 O13 K4 98.1(3) . . ?
W3 O13 K4 111.6(4) . . ?
W4 O14 K4 146.9(5) . 1_655 ?
W4 O14 K6 107.7(4) . 1_655 ?
K4 O14 K6 98.8(3) 1_655 1_655 ?
W4 O15 K3 120.6(5) . 1_655 ?
W4 O15 K6 94.8(4) . 1_655 ?
K3 O15 K6 82.5(3) 1_655 1_655 ?
W5 O16 W4 119.5(4) . . ?
W5 O16 K1 103.6(3) . . ?
W4 O16 K1 101.5(3) . . ?
W6 O17 W4 119.7(4) . . ?
As1 O18 W4 115.9(4) . . ?
As1 O18 W6 119.0(4) . . ?
W4 O18 W6 92.5(3) . . ?
As1 O18 W5 133.2(4) . . ?
W4 O18 W5 95.0(3) . . ?
W6 O18 W5 92.0(3) . . ?
W5 O19 K7 137.4(4) . 2_767 ?
W5 O20 W6 120.7(4) . . ?
W5 O20 K2 102.7(3) . . ?
W6 O20 K2 106.8(3) . . ?
W7 O21 W5 149.4(5) . . ?
W7 O21 K2 105.0(3) . . ?
W5 O21 K2 104.3(3) . . ?
W6 O22 K5 144.8(5) . 1_655 ?
W6 O23 K8 138.7(5) . . ?
W6 O23 K3 118.4(4) . 1_655 ?
K8 O23 K3 89.8(4) . 1_655 ?
W8 O24 W6 148.8(5) . . ?
W8 O24 K2 102.7(3) . . ?
W6 O24 K2 106.1(3) . . ?
W7 O25 K5 146.7(4) . 2_667 ?
W8 O26 W7 119.3(4) . . ?
W8 O26 K2 104.4(3) . . ?
W7 O26 K2 99.0(3) . . ?
W7 O27 W9 122.0(4) . . ?
W7 O27 K4 95.1(3) . . ?
W9 O27 K4 110.5(4) . . ?
As1 O28 W7 134.8(4) . . ?
As1 O28 W9 114.9(4) . . ?
W7 O28 W9 94.3(3) . . ?
As1 O28 W8 119.5(4) . . ?
W7 O28 W8 91.2(3) . . ?
W9 O28 W8 92.0(3) . . ?
W8 O29 K7 133.7(5) . . ?
W8 O30 W9 121.1(4) . . ?
W8 O31 K8 130.4(5) . . ?
W8 O31 Er2 122.0(4) . . ?
K8 O31 Er2 98.9(3) . . ?
W9 O32 K3 169.9(5) . . ?
W9 O32 K6 105.5(4) . . ?
K3 O32 K6 82.1(3) . . ?
W9 O33 Er1 141.4(4) . . ?
W9 O33 Er2 121.7(4) . . ?
Er1 O33 Er2 95.3(3) . . ?
C1 O34 Er2 142.2(9) . . ?
C1 O34 Er1 117.4(9) . . ?
Er2 O34 Er1 99.2(3) . . ?
C1 O34 K8 76.7(8) . . ?
Er2 O34 K8 71.6(2) . . ?
Er1 O34 K8 158.5(3) . . ?
C1 O35 K8 109.6(9) . . ?
C1 O35 K3 124.3(9) . 1_655 ?
K8 O35 K3 72.3(3) . 1_655 ?
C2 O36 Er1 107.7(7) . . ?
C3 O37 Er1 118.5(7) . 2_656 ?
C3 O37 Er1 118.4(7) . . ?
Er1 O37 Er1 102.7(3) 2_656 . ?
C3 O37 Er2 113.5(7) . 2_656 ?
Er1 O37 Er2 98.0(3) 2_656 2_656 ?
Er1 O37 Er2 102.8(3) . 2_656 ?
C4 O38 Er2 124.5(8) . 2_656 ?
C4 O39 K3 120.9(9) . 2_656 ?
C5 O40 Er2 115.8(9) . . ?
C6 O42 K8 142.5(10) . . ?
C6 O42 Er2 103.1(8) . . ?
K8 O42 Er2 106.7(4) . . ?
C7 O43 Er1 117.2(8) . 2_656 ?
C7 O43 Er2 119.4(8) . . ?
Er1 O43 Er2 111.3(4) 2_656 . ?
C8 O44 Er1 119.5(8) . 2_656 ?
C8 O44 K6 87.2(8) . 2_656 ?
Er1 O44 K6 136.0(4) 2_656 2_656 ?
C8 O45 K6 94.8(9) . 2_656 ?
O35 C1 O34 125.4(13) . . ?
O35 C1 C2 119.6(12) . . ?
O34 C1 C2 114.2(12) . . ?
O35 C1 K8 50.0(7) . . ?
O34 C1 K8 81.4(8) . . ?
C2 C1 K8 159.1(9) . . ?
O36 C2 C1 110.5(10) . . ?
O36 C2 C3 106.9(11) . . ?
C1 C2 C3 106.4(10) . . ?
O36 C2 H2 111.0 . . ?
C1 C2 H2 111.0 . . ?
C3 C2 H2 111.0 . . ?
O37 C3 C4 114.6(11) . . ?
O37 C3 C2 108.5(10) . . ?
C4 C3 C2 107.9(10) . . ?
O37 C3 H3 108.6 . . ?
C4 C3 H3 108.6 . . ?
C2 C3 H3 108.6 . . ?
O39 C4 O38 124.3(13) . . ?
O39 C4 C3 119.5(12) . . ?
O38 C4 C3 116.2(11) . . ?
O40 C5 O41 124.5(15) . . ?
O40 C5 C6 117.5(14) . . ?
O41 C5 C6 117.9(15) . . ?
O42 C6 C7 108.8(12) . . ?
O42 C6 C5 105.5(11) . . ?
C7 C6 C5 108.0(12) . . ?
O42 C6 K8 21.2(6) . . ?
C7 C6 K8 128.0(9) . . ?
C5 C6 K8 103.3(9) . . ?
O42 C6 H6 111.4 . . ?
C7 C6 H6 111.4 . . ?
C5 C6 H6 111.4 . . ?
K8 C6 H6 93.5 . . ?
O43 C7 C6 109.4(11) . . ?
O43 C7 C8 111.4(12) . . ?
C6 C7 C8 110.8(11) . . ?
O43 C7 H7 108.4 . . ?
C6 C7 H7 108.4 . . ?
C8 C7 H7 108.4 . . ?
O45 C8 O44 124.3(13) . . ?
O45 C8 C7 120.4(14) . . ?
O44 C8 C7 115.2(13) . . ?
O45 C8 K6 62.5(8) . 2_656 ?
O44 C8 K6 69.0(7) . 2_656 ?
C7 C8 K6 153.9(9) . 2_656 ?
K5 O1W K7 85.4(3) . . ?
K5 O1W K5 75.4(3) . 2_667 ?
K7 O1W K5 160.8(4) . 2_667 ?
K3 O3W K6 83.5(4) . . ?
K7 O4W K4 166.3(6) 2_667 . ?
K7 O4W K5 74.4(4) 2_667 2_667 ?
K4 O4W K5 94.2(4) . 2_667 ?
K5 O5W K5 78.5(4) 2_667 . ?
K7 O8W K5 78.8(5) . . ?
K3 O11W K8 66.4(8) . 1_455 ?
K5 O14W K7 81.3(7) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         2.348
_refine_diff_density_min         -2.634
_refine_diff_density_rms         0.368
_database_code_depnum_ccdc_archive 'CCDC 987822'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_3


# start Validation Reply Form
_vrf_PLAT201_3                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 57 Report 
RESPONSE: Due to the large structure and the existence of a large 
 amount of weight atoms, the intensity data are not very good, 
 leading to the ADP max/min ratio of many C and O atoms, 
 and it is very difficult to refine this large structure, therefore,
 in the final refinement, the W, As, lanthanoid, 
 and K atoms were refined anisotropically;
 the O and C atoms were refined isotropically.
;


_vrf_PLAT043_3                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by .. 67.37 Check
RESPONSE: H atoms on the water molecules are not present in the refined
 structure but they obvioulsy must be counted.
;

_vrf_PLAT430_3                   
;
PROBLEM: Short Inter D...A Contact O3W .. O3W .. 2.48 Ang.
RESPONSE: In the crystal structure, there are a number of short connections
 between  Ow(H2O) and O(POM) in the range 2.50-2.90 Ang,
 which indicate extensive H bonding interactions among them. 
 Some shorter connections between Ow(H2O) or O(POM) result from
 the disordered water molecules.  
;

_vrf_PLAT601_3                   
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of . 452 Ang3
RESPONSE: Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 113 electrons
 in 452 \%A^3^ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [113] in the void per unit cell, 
 which is attributed to one lithium atom and
 eleven disordered water molecules per molecule unit.
 All these reported items that derive from the molecular formula 
 (e.g., F(000), density, molecular weight, etc.) are known to be incorrect.
;


_vrf_PLAT342_3                   
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.0233 Ang.
RESPONSE: The alert derives from shading of reciprocal space
 by the pressure cell, and it is unavoidable in high pressure
 crystal structure determinations.
;

_vrf_PLAT306_3                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O5W Check
RESPONSE: The hydrogen atoms of the water molecules could not be directly 
 located from the difference Fourier maps because of the presence of too many
 heavy atoms in the structures.
;

# end Validation Reply Form

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H90 As2 K9 Li O125 Tm4 W18'
_chemical_formula_weight         6769.39

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tm Tm -0.3139 5.2483 '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'
W W -0.8490 6.8722 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.939(3)
_cell_length_b                   16.657(4)
_cell_length_c                   17.412(4)
_cell_angle_alpha                98.755(4)
_cell_angle_beta                 99.642(4)
_cell_angle_gamma                90.097(4)
_cell_volume                     3372.5(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5489
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      28.06

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.230
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2909
_exptl_absorpt_coefficient_mu    18.746
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0987
_exptl_absorpt_correction_T_max  0.1428
_exptl_absorpt_process_details   
; 
 SADABS v.2.10 (Bruker, 2003) was used for
 absorption correction. Estimated minimum and maximum transmission: 0.2898
 and 0.7457. The Ratio of minimum to maximum transmission is 0.3886.
 The λ/2 correction factor is 0.0015.'
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17329
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0701
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11754
_reflns_number_gt                9091
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0834P)²+30.0881P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11754
_refine_ls_number_parameters     432
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0524
_refine_ls_wR_factor_ref         0.1546
_refine_ls_wR_factor_gt          0.1416
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.49570(6) 0.33450(4) 0.63933(4) 0.02275(17) Uani 1 1 d . . .
W2 W 0.63134(6) 0.44701(4) 0.80978(4) 0.02620(18) Uani 1 1 d . . .
W3 W 0.77165(6) 0.38217(4) 0.65645(4) 0.02558(18) Uani 1 1 d . . .
W4 W 0.98747(6) 0.28698(4) 0.78541(5) 0.03061(19) Uani 1 1 d . . .
W5 W 0.85078(6) 0.34802(5) 0.94362(4) 0.03009(19) Uani 1 1 d . . .
W6 W 0.91460(6) 0.14966(5) 0.89355(5) 0.03096(19) Uani 1 1 d . . .
W7 W 0.60845(6) 0.09462(4) 0.88166(4) 0.02809(18) Uani 1 1 d . . .
W8 W 0.54346(6) 0.29123(4) 0.92074(4) 0.02737(18) Uani 1 1 d . . .
W9 W 0.41581(5) 0.17470(4) 0.74913(4) 0.02052(16) Uani 1 1 d . . .
Tm1 Tm 0.50220(6) 0.11068(4) 0.53861(4) 0.01826(17) Uani 1 1 d . . .
Tm2 Tm 0.54595(6) -0.02923(4) 0.67949(4) 0.02327(18) Uani 1 1 d . . .
As1 As 0.70168(13) 0.22140(9) 0.75023(9) 0.0184(3) Uani 1 1 d . . .
K1 K 1.0480(4) 0.0615(3) 0.6986(3) 0.0581(14) Uani 1 1 d . . .
K2 K 0.1771(5) 0.2629(4) 0.6243(3) 0.0714(17) Uani 1 1 d . . .
K3 K 1.0618(6) 0.4764(4) 1.1504(5) 0.0310(17) Uani 0.50 1 d PU . .
K4 K 0.6844(8) 0.7066(5) 0.9138(5) 0.038(2) Uani 0.50 1 d P . .
K5 K 0.1693(5) 0.0267(3) 0.2336(3) 0.0576(13) Uani 1 1 d . . .
K6 K 1.1728(9) -0.0128(7) 0.9659(6) 0.059(3) Uani 0.50 1 d PU . .
O1 O 0.3748(11) 0.3652(8) 0.5810(8) 0.041(3) Uiso 1 1 d . . .
O2 O 0.5333(9) 0.2419(6) 0.5876(6) 0.022(2) Uiso 1 1 d . . .
O3 O 0.5033(10) 0.4267(7) 0.7291(7) 0.032(3) Uiso 1 1 d . . .
O4 O 0.6128(10) 0.3953(7) 0.6074(7) 0.029(3) Uiso 1 1 d . . .
O5 O 0.4218(9) 0.2724(7) 0.7063(7) 0.025(3) Uiso 1 1 d . . .
O6 O 0.6630(9) 0.3230(7) 0.7316(7) 0.027(3) Uiso 1 1 d . . .
O7 O 0.6008(11) 0.5438(8) 0.8540(8) 0.039(3) Uiso 1 1 d . . .
O8 O 0.7227(9) 0.4736(7) 0.7427(7) 0.028(3) Uiso 1 1 d . . .
O9 O 0.7595(10) 0.4177(7) 0.8812(7) 0.030(3) Uiso 1 1 d . . .
O10 O 0.5479(10) 0.3801(7) 0.8670(7) 0.034(3) Uiso 1 1 d . . .
O11 O 0.8350(11) 0.4498(8) 0.6067(8) 0.039(3) Uiso 1 1 d . . .
O12 O 0.7831(10) 0.2860(7) 0.5997(7) 0.033(3) Uiso 1 1 d . . .
O13 O 0.8922(10) 0.3665(7) 0.7379(7) 0.033(3) Uiso 1 1 d . . .
O14 O 1.1230(12) 0.3257(9) 0.7838(9) 0.050(4) Uiso 1 1 d . . .
O15 O 0.9600(11) 0.2139(8) 0.7026(8) 0.042(3) Uiso 1 1 d . . .
O16 O 0.9715(10) 0.3640(7) 0.8927(7) 0.036(3) Uiso 1 1 d . . .
O17 O 1.0288(10) 0.2070(8) 0.8569(7) 0.036(3) Uiso 1 1 d . . .
O18 O 0.8228(9) 0.2501(7) 0.8266(7) 0.025(3) Uiso 1 1 d . . .
O19 O 0.8878(11) 0.4140(8) 1.0327(8) 0.040(3) Uiso 1 1 d . . .
O20 O 0.9070(10) 0.2484(7) 0.9744(7) 0.034(3) Uiso 1 1 d . . .
O21 O 0.7021(10) 0.3082(7) 0.9581(7) 0.033(3) Uiso 1 1 d . . .
O22 O 0.9961(11) 0.0923(8) 0.9526(8) 0.043(3) Uiso 1 1 d . . .
O23 O 0.8824(11) 0.0793(8) 0.8005(8) 0.037(3) Uiso 1 1 d . . .
O24 O 0.7647(10) 0.1248(7) 0.9159(7) 0.030(3) Uiso 1 1 d . . .
O25 O 0.5972(11) 0.0153(8) 0.9327(8) 0.043(3) Uiso 1 1 d . . .
O26 O 0.6606(10) 0.0412(7) 0.7862(7) 0.030(3) Uiso 1 1 d . . .
O27 O 0.5642(10) 0.1811(7) 0.9524(7) 0.031(3) Uiso 1 1 d . . .
O28 O 0.4627(9) 0.0893(7) 0.8161(7) 0.028(3) Uiso 1 1 d . . .
O29 O 0.6005(9) 0.2080(6) 0.8150(6) 0.022(2) Uiso 1 1 d . . .
O30 O 0.4856(11) 0.3354(8) 1.0024(8) 0.042(3) Uiso 1 1 d . . .
O31 O 0.2714(10) 0.1494(7) 0.7223(7) 0.029(3) Uiso 1 1 d . . .
O32 O 0.4814(9) 0.1159(7) 0.6740(7) 0.026(3) Uiso 1 1 d . . .
O33 O 0.4097(10) 0.2437(7) 0.8521(7) 0.029(3) Uiso 1 1 d . . .
O34 O 0.4398(11) 0.1339(8) 0.2459(8) 0.041(3) Uiso 1 1 d . . .
O35 O 0.3798(13) 0.2621(10) 0.2461(9) 0.058(4) Uiso 1 1 d . . .
O36 O 0.2652(10) 0.0914(7) 0.3020(7) 0.031(3) Uiso 1 1 d . . .
O37 O 0.4475(9) 0.1409(7) 0.4159(7) 0.024(2) Uiso 1 1 d . . .
O38 O 0.3155(10) 0.1533(7) 0.5242(7) 0.031(3) Uiso 1 1 d . . .
O39 O 0.1852(12) 0.2234(9) 0.4577(9) 0.050(4) Uiso 1 1 d . . .
O40 O 0.3478(9) -0.0358(7) 0.3934(7) 0.028(3) Uiso 1 1 d . . .
O41 O 0.1691(12) 0.0074(9) 0.3914(9) 0.049(4) Uiso 1 1 d . . .
O42 O 0.3146(9) -0.1488(7) 0.4823(7) 0.028(3) Uiso 1 1 d . . .
O43 O 0.4238(9) -0.0145(7) 0.5550(7) 0.026(3) Uiso 1 1 d . . .
O44 O 0.3648(11) -0.0593(8) 0.6889(8) 0.040(3) Uiso 1 1 d . . .
O45 O 0.1819(11) -0.0642(8) 0.6399(8) 0.044(3) Uiso 1 1 d . . .
C1 C 0.3802(16) 0.1938(12) 0.2677(12) 0.037(4) Uiso 1 1 d . . .
C2 C 0.2970(15) 0.1764(11) 0.3200(11) 0.032(4) Uiso 1 1 d . . .
H2 H 0.2298 0.2098 0.3118 0.039 Uiso 1 1 calc R . .
C3 C 0.3561(14) 0.1935(11) 0.4048(10) 0.030(4) Uiso 1 1 d . . .
H3 H 0.3888 0.2488 0.4135 0.036 Uiso 1 1 calc R . .
C4 C 0.2776(14) 0.1906(10) 0.4668(10) 0.024(4) Uiso 1 1 d . . .
C5 C 0.2504(14) -0.0345(10) 0.4168(10) 0.024(4) Uiso 1 1 d . . .
C6 C 0.2466(15) -0.0747(10) 0.4871(10) 0.028(4) Uiso 1 1 d . . .
H6 H 0.1681 -0.0874 0.4919 0.034 Uiso 1 1 calc R . .
C7 C 0.3044(12) -0.0202(9) 0.5576(9) 0.017(3) Uiso 1 1 d . . .
H7 H 0.2729 0.0340 0.5568 0.021 Uiso 1 1 calc R . .
C8 C 0.2806(14) -0.0515(10) 0.6341(10) 0.029(4) Uiso 1 1 d . . .
O1W O 1.0528(14) 0.0869(10) 0.5361(10) 0.067(5) Uiso 1 1 d . . .
O2W O -0.038(2) 0.2446(17) 0.5254(16) 0.090(8) Uiso 0.75 1 d P . .
O3W O 0.399(2) 0.4917(15) 0.9683(15) 0.077(7) Uiso 0.75 1 d P . .
O4W O 1.2476(19) 0.1877(14) 0.9359(14) 0.103(7) Uiso 1 1 d . . .
O5W O 0.646(2) 0.1882(15) 0.2195(15) 0.115(8) Uiso 1 1 d . . .
O6W O 0.009(3) -0.168(2) 0.664(2) 0.118 Uiso 0.75 1 d P . .
O7W O 1.3129(10) 0.4131(7) 0.8082(7) 0.032(3) Uiso 1 1 d . . .
O8W O 0.823(2) 0.5959(15) 0.9868(15) 0.113(8) Uiso 1 1 d . . .
O9W O 1.188(4) 0.094(3) 1.125(3) 0.094(13) Uiso 0.50 1 d P . .
O10W O 0.774(2) 0.1976(15) 1.0947(15) 0.120(8) Uiso 1 1 d . . .
O11W O 0.388(3) -0.293(2) 0.5737(19) 0.111 Uiso 0.75 1 d P . .
O12W O 0.187(3) 0.3990(19) 0.4579(19) 0.109(10) Uiso 0.75 1 d P . .
O13W O 0.091(4) 0.415(3) 0.611(3) 0.094(13) Uiso 0.50 1 d P . .
O14W O 1.247(4) 0.005(3) 0.830(3) 0.115 Uiso 0.50 1 d P . .
O15W O 0.493(2) 0.1504(18) 1.0890(18) 0.102(9) Uiso 0.75 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
W1 O1 1.745(13) . ?
W1 O2 1.762(11) . ?
W1 O4 1.928(11) . ?
W1 O5 1.980(11) . ?
W1 O3 2.007(12) . ?
W1 O6 2.372(11) . ?
W1 K2 3.939(7) . ?
W2 O7 1.744(13) . ?
W2 O8 1.825(11) . ?
W2 O3 1.886(12) . ?
W2 O9 1.917(11) . ?
W2 O10 1.974(12) . ?
W2 O6 2.363(12) . ?
W2 K3 3.794(7) 2_767 ?
W3 O11 1.762(13) . ?
W3 O12 1.767(12) . ?
W3 O13 1.892(12) . ?
W3 O4 1.972(11) . ?
W3 O8 2.125(12) . ?
W3 O6 2.306(11) . ?
W3 K3 4.018(7) 2_767 ?
W4 O15 1.725(14) . ?
W4 O14 1.747(14) . ?
W4 O13 1.938(12) . ?
W4 O17 1.966(12) . ?
W4 O16 2.136(13) . ?
W4 O18 2.315(11) . ?
W4 K2 3.866(6) 1_655 ?
W4 K1 3.944(5) . ?
W4 K3 4.001(8) 2_767 ?
W5 O19 1.749(14) . ?
W5 O16 1.853(13) . ?
W5 O20 1.909(12) . ?
W5 O9 1.925(11) . ?
W5 O21 1.962(12) . ?
W5 O18 2.383(11) . ?
W5 K3 3.787(8) 2_767 ?
W6 O22 1.698(13) . ?
W6 O23 1.832(13) . ?
W6 O17 1.912(12) . ?
W6 O24 1.950(11) . ?
W6 O20 2.009(13) . ?
W6 O18 2.351(11) . ?
W6 K5 3.436(5) 2_656 ?
W6 K6 3.850(10) 2_757 ?
W6 K1 4.064(5) . ?
W7 O25 1.717(13) . ?
W7 O27 1.884(12) . ?
W7 O24 1.903(11) . ?
W7 O28 1.909(11) . ?
W7 O26 1.959(12) . ?
W7 O29 2.357(10) . ?
W7 K6 3.810(9) 2_757 ?
W7 K5 3.965(5) 2_656 ?
W8 O30 1.747(14) . ?
W8 O10 1.872(12) . ?
W8 O21 1.903(12) . ?
W8 O33 1.917(11) . ?
W8 O27 1.999(12) . ?
W8 O29 2.328(11) . ?
W9 O31 1.742(11) . ?
W9 O32 1.799(11) . ?
W9 O5 1.896(11) . ?
W9 O33 1.989(12) . ?
W9 O28 1.997(11) . ?
W9 O29 2.332(10) . ?
W9 K2 3.731(5) . ?
Tm1 O2 2.229(11) . ?
Tm1 O37 2.260(11) . ?
Tm1 O38 2.326(12) . ?
Tm1 O43 2.359(11) . ?
Tm1 O42 2.377(11) 2_656 ?
Tm1 O43 2.387(11) 2_656 ?
Tm1 O32 2.401(11) . ?
Tm1 O40 2.431(11) 2_656 ?
Tm1 Tm2 3.6106(12) . ?
Tm1 Tm1 3.7247(15) 2_656 ?
Tm1 Tm2 3.7803(13) 2_656 ?
Tm2 O44 2.257(13) . ?
Tm2 O26 2.276(12) . ?
Tm2 O37 2.307(11) 2_656 ?
Tm2 O40 2.312(11) 2_656 ?
Tm2 O34 2.318(13) 2_656 ?
Tm2 O43 2.447(11) . ?
Tm2 O36 2.475(11) 2_656 ?
Tm2 O32 2.549(11) . ?
Tm2 K5 3.479(5) 2_656 ?
Tm2 Tm1 3.7803(13) 2_656 ?
As1 O18 1.803(11) . ?
As1 O6 1.817(11) . ?
As1 O29 1.821(11) . ?
K1 O15 2.744(14) . ?
K1 O45 2.809(15) 1_655 ?
K1 O23 2.858(14) . ?
K1 O41 2.928(15) 2_656 ?
K1 O1W 2.934(18) . ?
K1 O31 2.976(13) 1_655 ?
K1 O14W 3.25(5) . ?
K1 O17 3.421(14) . ?
K1 K5 3.439(8) 2_656 ?
K1 K2 4.156(9) 1_655 ?
K2 O13W 2.76(4) . ?
K2 O2W 2.83(3) . ?
K2 O31 2.847(13) . ?
K2 O39 2.893(16) . ?
K2 O14 2.991(16) 1_455 ?
K2 O38 3.017(13) . ?
K2 O5 3.023(12) . ?
K2 O1 3.165(15) . ?
K2 C4 3.242(18) . ?
K2 O15 3.280(15) 1_455 ?
K2 O1W 3.317(19) 1_455 ?
K3 O19 2.741(15) . ?
K3 O16 2.880(14) 2_767 ?
K3 O9 2.940(14) 2_767 ?
K3 O8 2.949(13) 2_767 ?
K3 O13 3.004(15) 2_767 ?
K3 O8W 3.05(3) 2_767 ?
K3 W5 3.787(8) 2_767 ?
K3 W2 3.794(7) 2_767 ?
K3 W4 4.001(8) 2_767 ?
K3 W3 4.018(7) 2_767 ?
K3 K4 4.456(12) 2_767 ?
K4 O8W 2.79(3) . ?
K4 O30 2.834(16) 2_667 ?
K4 O7 2.867(16) . ?
K4 O35 2.888(17) 2_666 ?
K4 O4W 2.91(2) 2_767 ?
K4 O15W 3.19(3) 2_667 ?
K4 K3 4.456(12) 2_767 ?
K5 O36 1.744(13) . ?
K5 O23 1.846(14) 2_656 ?
K5 O26 2.377(13) 2_656 ?
K5 O9W 2.39(4) 1_454 ?
K5 O41 2.816(16) . ?
K5 C2 2.980(19) . ?
K5 W6 3.436(5) 2_656 ?
K5 K1 3.439(8) 2_656 ?
K5 Tm2 3.479(5) 2_656 ?
K5 C5 3.480(17) . ?
K5 W7 3.965(5) 2_656 ?
K5 K6 4.615(12) 1_454 ?
K6 O14W 2.72(5) . ?
K6 O22 2.746(16) . ?
K6 O24 2.990(15) 2_757 ?
K6 O25 3.011(17) 2_757 ?
K6 O9W 3.04(5) . ?
K6 O22 3.058(17) 2_757 ?
K6 O10W 3.20(3) 2_757 ?
K6 W7 3.810(9) 2_757 ?
K6 W6 3.850(10) 2_757 ?
K6 K6 4.48(2) 2_757 ?
K6 K5 4.615(12) 1_656 ?
K6 K5 4.878(12) 2_656 ?
O8 K3 2.949(13) 2_767 ?
O9 K3 2.940(14) 2_767 ?
O13 K3 3.004(15) 2_767 ?
O14 K2 2.991(16) 1_655 ?
O15 K2 3.280(15) 1_655 ?
O16 K3 2.880(14) 2_767 ?
O22 K6 3.058(17) 2_757 ?
O23 K5 1.846(14) 2_656 ?
O24 K6 2.990(15) 2_757 ?
O25 K6 3.011(17) 2_757 ?
O26 K5 2.377(13) 2_656 ?
O30 K4 2.834(16) 2_667 ?
O31 K1 2.976(12) 1_455 ?
O34 C1 1.27(2) . ?
O34 Tm2 2.318(13) 2_656 ?
O35 C1 1.25(2) . ?
O35 K4 2.888(17) 2_666 ?
O36 C2 1.44(2) . ?
O36 Tm2 2.475(11) 2_656 ?
O37 C3 1.41(2) . ?
O37 Tm2 2.307(11) 2_656 ?
O38 C4 1.276(19) . ?
O39 C4 1.23(2) . ?
O40 C5 1.294(19) . ?
O40 Tm2 2.312(11) 2_656 ?
O40 Tm1 2.431(11) 2_656 ?
O41 C5 1.26(2) . ?
O41 K1 2.928(15) 2_656 ?
O42 C6 1.48(2) . ?
O42 Tm1 2.377(11) 2_656 ?
O43 C7 1.438(18) . ?
O43 Tm1 2.387(11) 2_656 ?
O44 C8 1.29(2) . ?
O45 C8 1.22(2) . ?
O45 K1 2.809(15) 1_455 ?
C1 C2 1.51(3) . ?
C2 C3 1.51(2) . ?
C2 H2 0.9800 . ?
C3 C4 1.55(2) . ?
C3 H3 0.9800 . ?
C5 C6 1.49(2) . ?
C6 C7 1.48(2) . ?
C6 H6 0.9800 . ?
C7 C8 1.57(2) . ?
C7 H7 0.9800 . ?
O1W K2 3.317(19) 1_655 ?
O4W K4 2.91(2) 2_767 ?
O8W K3 3.05(3) 2_767 ?
O9W K5 2.39(4) 1_656 ?
O10W K6 3.20(3) 2_757 ?
O15W K4 3.19(3) 2_667 ?

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
O1 W1 O2 105.7(6) . . ?
O1 W1 O4 100.8(5) . . ?
O2 W1 O4 92.9(5) . . ?
O1 W1 O5 99.4(5) . . ?
O2 W1 O5 89.0(5) . . ?
O4 W1 O5 158.4(5) . . ?
O1 W1 O3 96.9(6) . . ?
O2 W1 O3 157.3(5) . . ?
O4 W1 O3 84.9(5) . . ?
O5 W1 O3 85.1(5) . . ?
O1 W1 O6 167.5(5) . . ?
O2 W1 O6 86.2(4) . . ?
O4 W1 O6 74.1(4) . . ?
O5 W1 O6 84.5(4) . . ?
O3 W1 O6 71.4(4) . . ?
O1 W1 K2 51.6(4) . . ?
O2 W1 K2 93.5(4) . . ?
O4 W1 K2 152.3(3) . . ?
O5 W1 K2 48.7(3) . . ?
O3 W1 K2 99.0(3) . . ?
O6 W1 K2 133.2(3) . . ?
O7 W2 O8 100.2(6) . . ?
O7 W2 O3 100.0(6) . . ?
O8 W2 O3 93.0(5) . . ?
O7 W2 O9 103.2(5) . . ?
O8 W2 O9 91.6(5) . . ?
O3 W2 O9 155.2(5) . . ?
O7 W2 O10 99.8(6) . . ?
O8 W2 O10 159.9(5) . . ?
O3 W2 O10 84.9(5) . . ?
O9 W2 O10 82.4(5) . . ?
O7 W2 O6 171.3(5) . . ?
O8 W2 O6 74.7(4) . . ?
O3 W2 O6 73.6(5) . . ?
O9 W2 O6 84.2(5) . . ?
O10 W2 O6 85.6(5) . . ?
O7 W2 K3 85.7(4) . 2_767 ?
O8 W2 K3 49.3(4) . 2_767 ?
O3 W2 K3 142.1(4) . 2_767 ?
O9 W2 K3 49.6(4) . 2_767 ?
O10 W2 K3 131.3(4) . 2_767 ?
O6 W2 K3 95.8(3) . 2_767 ?
O11 W3 O12 103.7(6) . . ?
O11 W3 O13 101.9(6) . . ?
O12 W3 O13 94.6(5) . . ?
O11 W3 O4 97.2(5) . . ?
O12 W3 O4 93.9(5) . . ?
O13 W3 O4 156.6(5) . . ?
O11 W3 O8 95.5(5) . . ?
O12 W3 O8 160.4(5) . . ?
O13 W3 O8 84.4(5) . . ?
O4 W3 O8 80.3(5) . . ?
O11 W3 O6 165.1(5) . . ?
O12 W3 O6 89.5(5) . . ?
O13 W3 O6 83.4(5) . . ?
O4 W3 O6 74.9(4) . . ?
O8 W3 O6 70.9(4) . . ?
O11 W3 K3 83.2(4) . 2_767 ?
O12 W3 K3 139.4(4) . 2_767 ?
O13 W3 K3 45.3(4) . 2_767 ?
O4 W3 K3 125.3(4) . 2_767 ?
O8 W3 K3 45.5(3) . 2_767 ?
O6 W3 K3 91.0(3) . 2_767 ?
O15 W4 O14 104.3(7) . . ?
O15 W4 O13 93.9(6) . . ?
O14 W4 O13 101.2(6) . . ?
O15 W4 O17 93.5(6) . . ?
O14 W4 O17 99.3(6) . . ?
O13 W4 O17 155.7(5) . . ?
O15 W4 O16 162.3(5) . . ?
O14 W4 O16 93.4(6) . . ?
O13 W4 O16 83.2(5) . . ?
O17 W4 O16 82.6(5) . . ?
O15 W4 O18 91.2(5) . . ?
O14 W4 O18 163.1(6) . . ?
O13 W4 O18 83.9(4) . . ?
O17 W4 O18 72.8(4) . . ?
O16 W4 O18 71.1(4) . . ?
O15 W4 K2 57.5(5) . 1_655 ?
O14 W4 K2 47.9(5) . 1_655 ?
O13 W4 K2 93.8(4) . 1_655 ?
O17 W4 K2 109.7(4) . 1_655 ?
O16 W4 K2 140.0(3) . 1_655 ?
O18 W4 K2 148.5(3) . 1_655 ?
O15 W4 K1 36.0(4) . . ?
O14 W4 K1 95.5(5) . . ?
O13 W4 K1 129.9(4) . . ?
O17 W4 K1 60.1(4) . . ?
O16 W4 K1 142.6(3) . . ?
O18 W4 K1 93.3(3) . . ?
K2 W4 K1 64.29(13) 1_655 . ?
O15 W4 K3 139.2(4) . 2_767 ?
O14 W4 K3 80.5(5) . 2_767 ?
O13 W4 K3 46.1(4) . 2_767 ?
O17 W4 K3 126.2(4) . 2_767 ?
O16 W4 K3 44.1(3) . 2_767 ?
O18 W4 K3 92.1(3) . 2_767 ?
K2 W4 K3 108.90(16) 1_655 2_767 ?
K1 W4 K3 172.86(15) . 2_767 ?
O19 W5 O16 101.9(6) . . ?
O19 W5 O20 100.5(6) . . ?
O16 W5 O20 93.6(5) . . ?
O19 W5 O9 100.6(6) . . ?
O16 W5 O9 90.0(5) . . ?
O20 W5 O9 157.4(5) . . ?
O19 W5 O21 99.4(6) . . ?
O16 W5 O21 158.4(5) . . ?
O20 W5 O21 85.6(5) . . ?
O9 W5 O21 83.0(5) . . ?
O19 W5 O18 172.7(5) . . ?
O16 W5 O18 74.3(5) . . ?
O20 W5 O18 73.8(5) . . ?
O9 W5 O18 85.8(4) . . ?
O21 W5 O18 84.8(5) . . ?
O19 W5 K3 85.1(4) . 2_767 ?
O16 W5 K3 47.5(4) . 2_767 ?
O20 W5 K3 140.7(4) . 2_767 ?
O9 W5 K3 49.9(4) . 2_767 ?
O21 W5 K3 132.3(4) . 2_767 ?
O18 W5 K3 96.4(3) . 2_767 ?
O22 W6 O23 101.9(6) . . ?
O22 W6 O17 100.9(6) . . ?
O23 W6 O17 92.5(5) . . ?
O22 W6 O24 100.1(6) . . ?
O23 W6 O24 89.3(5) . . ?
O17 W6 O24 158.0(5) . . ?
O22 W6 O20 98.1(6) . . ?
O23 W6 O20 159.6(5) . . ?
O17 W6 O20 87.5(5) . . ?
O24 W6 O20 83.3(5) . . ?
O22 W6 O18 169.0(5) . . ?
O23 W6 O18 87.6(5) . . ?
O17 W6 O18 72.8(4) . . ?
O24 W6 O18 85.4(4) . . ?
O20 W6 O18 72.9(4) . . ?
O22 W6 K5 87.7(5) . 2_656 ?
O23 W6 K5 21.0(4) . 2_656 ?
O17 W6 K5 110.6(4) . 2_656 ?
O24 W6 K5 76.4(4) . 2_656 ?
O20 W6 K5 159.6(4) . 2_656 ?
O18 W6 K5 102.9(3) . 2_656 ?
O22 W6 K6 50.3(5) . 2_757 ?
O23 W6 K6 99.4(4) . 2_757 ?
O17 W6 K6 150.5(4) . 2_757 ?
O24 W6 K6 49.8(4) . 2_757 ?
O20 W6 K6 90.3(4) . 2_757 ?
O18 W6 K6 134.2(3) . 2_757 ?
K5 W6 K6 78.4(2) 2_656 2_757 ?
O22 W6 K1 94.3(5) . . ?
O23 W6 K1 38.2(4) . . ?
O17 W6 K1 57.0(4) . . ?
O24 W6 K1 127.4(4) . . ?
O20 W6 K1 144.0(4) . . ?
O18 W6 K1 89.8(3) . . ?
K5 W6 K1 53.80(12) 2_656 . ?
K6 W6 K1 122.90(19) 2_757 . ?
O25 W7 O27 100.3(6) . . ?
O25 W7 O24 100.5(6) . . ?
O27 W7 O24 91.4(5) . . ?
O25 W7 O28 101.4(6) . . ?
O27 W7 O28 91.4(5) . . ?
O24 W7 O28 157.0(5) . . ?
O25 W7 O26 102.5(6) . . ?
O27 W7 O26 157.2(5) . . ?
O24 W7 O26 84.0(5) . . ?
O28 W7 O26 84.6(5) . . ?
O25 W7 O29 172.6(5) . . ?
O27 W7 O29 74.8(4) . . ?
O24 W7 O29 85.3(4) . . ?
O28 W7 O29 73.4(4) . . ?
O26 W7 O29 82.5(4) . . ?
O25 W7 K6 50.1(5) . 2_757 ?
O27 W7 K6 95.7(4) . 2_757 ?
O24 W7 K6 50.6(4) . 2_757 ?
O28 W7 K6 151.4(4) . 2_757 ?
O26 W7 K6 98.5(4) . 2_757 ?
O29 W7 K6 135.1(3) . 2_757 ?
O25 W7 K5 90.3(5) . 2_656 ?
O27 W7 K5 153.7(4) . 2_656 ?
O24 W7 K5 62.9(4) . 2_656 ?
O28 W7 K5 110.2(4) . 2_656 ?
O26 W7 K5 26.4(3) . 2_656 ?
O29 W7 K5 96.4(3) . 2_656 ?
K6 W7 K5 72.79(18) 2_757 2_656 ?
O30 W8 O10 100.8(6) . . ?
O30 W8 O21 102.0(6) . . ?
O10 W8 O21 88.6(5) . . ?
O30 W8 O33 100.8(6) . . ?
O10 W8 O33 93.5(5) . . ?
O21 W8 O33 156.3(5) . . ?
O30 W8 O27 96.6(6) . . ?
O10 W8 O27 162.5(5) . . ?
O21 W8 O27 85.9(5) . . ?
O33 W8 O27 85.2(5) . . ?
O30 W8 O29 168.0(5) . . ?
O10 W8 O29 89.4(5) . . ?
O21 W8 O29 84.4(5) . . ?
O33 W8 O29 72.0(4) . . ?
O27 W8 O29 73.6(4) . . ?
O31 W9 O32 104.8(5) . . ?
O31 W9 O5 100.5(5) . . ?
O32 W9 O5 94.0(5) . . ?
O31 W9 O33 98.0(5) . . ?
O32 W9 O33 156.6(5) . . ?
O5 W9 O33 87.2(5) . . ?
O31 W9 O28 99.2(5) . . ?
O32 W9 O28 87.3(5) . . ?
O5 W9 O28 159.2(5) . . ?
O33 W9 O28 83.6(5) . . ?
O31 W9 O29 166.4(5) . . ?
O32 W9 O29 85.9(4) . . ?
O5 W9 O29 86.9(4) . . ?
O33 W9 O29 70.7(4) . . ?
O28 W9 O29 72.5(4) . . ?
O31 W9 K2 47.1(4) . . ?
O32 W9 K2 100.3(4) . . ?
O5 W9 K2 53.7(3) . . ?
O33 W9 K2 99.2(3) . . ?
O28 W9 K2 146.3(3) . . ?
O29 W9 K2 140.2(3) . . ?
O2 Tm1 O37 91.0(4) . . ?
O2 Tm1 O38 80.6(4) . . ?
O37 Tm1 O38 70.3(4) . . ?
O2 Tm1 O43 146.1(4) . . ?
O37 Tm1 O43 112.6(4) . . ?
O38 Tm1 O43 84.9(4) . . ?
O2 Tm1 O42 72.1(4) . 2_656 ?
O37 Tm1 O42 83.1(4) . 2_656 ?
O38 Tm1 O42 141.3(4) . 2_656 ?
O43 Tm1 O42 132.3(4) . 2_656 ?
O2 Tm1 O43 136.2(4) . 2_656 ?
O37 Tm1 O43 70.0(4) . 2_656 ?
O38 Tm1 O43 124.7(4) . 2_656 ?
O43 Tm1 O43 76.6(4) . 2_656 ?
O42 Tm1 O43 66.8(4) 2_656 2_656 ?
O2 Tm1 O32 77.0(4) . . ?
O37 Tm1 O32 152.6(4) . . ?
O38 Tm1 O32 83.4(4) . . ?
O43 Tm1 O32 70.9(4) . . ?
O42 Tm1 O32 115.4(4) 2_656 . ?
O43 Tm1 O32 134.6(4) 2_656 . ?
O2 Tm1 O40 107.4(4) . 2_656 ?
O37 Tm1 O40 137.6(4) . 2_656 ?
O38 Tm1 O40 148.8(4) . 2_656 ?
O43 Tm1 O40 71.8(4) . 2_656 ?
O42 Tm1 O40 67.8(4) 2_656 2_656 ?
O43 Tm1 O40 70.4(4) 2_656 2_656 ?
O32 Tm1 O40 69.8(4) . 2_656 ?
O2 Tm1 Tm2 116.2(3) . . ?
O37 Tm1 Tm2 152.7(3) . . ?
O38 Tm1 Tm2 109.9(3) . . ?
O43 Tm1 Tm2 42.2(3) . . ?
O42 Tm1 Tm2 106.6(3) 2_656 . ?
O43 Tm1 Tm2 90.0(3) 2_656 . ?
O32 Tm1 Tm2 44.8(3) . . ?
O40 Tm1 Tm2 39.2(3) 2_656 . ?
O2 Tm1 Tm1 171.4(3) . 2_656 ?
O37 Tm1 Tm1 91.4(3) . 2_656 ?
O38 Tm1 Tm1 108.0(3) . 2_656 ?
O43 Tm1 Tm1 38.6(3) . 2_656 ?
O42 Tm1 Tm1 100.0(3) 2_656 2_656 ?
O43 Tm1 Tm1 38.0(3) 2_656 2_656 ?
O32 Tm1 Tm1 104.1(3) . 2_656 ?
O40 Tm1 Tm1 65.6(3) 2_656 2_656 ?
Tm2 Tm1 Tm1 62.02(3) . 2_656 ?
O2 Tm1 Tm2 123.5(3) . 2_656 ?
O37 Tm1 Tm2 34.5(3) . 2_656 ?
O38 Tm1 Tm2 88.8(3) . 2_656 ?
O43 Tm1 Tm2 86.4(3) . 2_656 ?
O42 Tm1 Tm2 84.1(3) 2_656 2_656 ?
O43 Tm1 Tm2 39.1(3) 2_656 2_656 ?
O32 Tm1 Tm2 156.5(3) . 2_656 ?
O40 Tm1 Tm2 109.4(3) 2_656 2_656 ?
Tm2 Tm1 Tm2 119.53(3) . 2_656 ?
Tm1 Tm1 Tm2 57.51(2) 2_656 2_656 ?
O44 Tm2 O26 119.0(5) . . ?
O44 Tm2 O37 92.2(4) . 2_656 ?
O26 Tm2 O37 139.2(4) . 2_656 ?
O44 Tm2 O40 141.9(4) . 2_656 ?
O26 Tm2 O40 85.0(4) . 2_656 ?
O37 Tm2 O40 84.8(4) 2_656 2_656 ?
O44 Tm2 O34 75.4(5) . 2_656 ?
O26 Tm2 O34 84.4(4) . 2_656 ?
O37 Tm2 O34 78.6(4) 2_656 2_656 ?
O40 Tm2 O34 140.1(4) 2_656 2_656 ?
O44 Tm2 O43 71.4(4) . . ?
O26 Tm2 O43 143.2(4) . . ?
O37 Tm2 O43 68.2(4) 2_656 . ?
O40 Tm2 O43 72.3(4) 2_656 . ?
O34 Tm2 O43 131.3(4) 2_656 . ?
O44 Tm2 O36 138.8(4) . 2_656 ?
O26 Tm2 O36 70.0(4) . 2_656 ?
O37 Tm2 O36 69.2(4) 2_656 2_656 ?
O40 Tm2 O36 75.0(4) 2_656 2_656 ?
O34 Tm2 O36 65.2(4) 2_656 2_656 ?
O43 Tm2 O36 127.7(4) . 2_656 ?
O44 Tm2 O32 86.3(4) . . ?
O26 Tm2 O32 78.1(4) . . ?
O37 Tm2 O32 133.2(4) 2_656 . ?
O40 Tm2 O32 69.2(4) 2_656 . ?
O34 Tm2 O32 144.4(4) 2_656 . ?
O43 Tm2 O32 67.1(4) . . ?
O36 Tm2 O32 133.5(4) 2_656 . ?
O44 Tm2 K5 146.6(3) . 2_656 ?
O26 Tm2 K5 42.7(3) . 2_656 ?
O37 Tm2 K5 96.8(3) 2_656 2_656 ?
O40 Tm2 K5 71.2(3) 2_656 2_656 ?
O34 Tm2 K5 75.0(3) 2_656 2_656 ?
O43 Tm2 K5 141.5(3) . 2_656 ?
O36 Tm2 K5 28.1(3) 2_656 2_656 ?
O32 Tm2 K5 109.7(3) . 2_656 ?
O44 Tm2 Tm1 101.0(3) . . ?
O26 Tm2 Tm1 104.4(3) . . ?
O37 Tm2 Tm1 93.6(3) 2_656 . ?
O40 Tm2 Tm1 41.7(3) 2_656 . ?
O34 Tm2 Tm1 171.1(3) 2_656 . ?
O43 Tm2 Tm1 40.4(3) . . ?
O36 Tm2 Tm1 116.1(3) 2_656 . ?
O32 Tm2 Tm1 41.6(3) . . ?
K5 Tm2 Tm1 110.48(9) 2_656 . ?
O44 Tm2 Tm1 92.1(3) . 2_656 ?
O26 Tm2 Tm1 148.3(3) . 2_656 ?
O37 Tm2 Tm1 33.7(3) 2_656 2_656 ?
O40 Tm2 Tm1 65.2(3) 2_656 2_656 ?
O34 Tm2 Tm1 111.2(3) 2_656 2_656 ?
O43 Tm2 Tm1 38.0(3) . 2_656 ?
O36 Tm2 Tm1 91.1(3) 2_656 2_656 ?
O32 Tm2 Tm1 99.5(3) . 2_656 ?
K5 Tm2 Tm1 112.83(9) 2_656 2_656 ?
Tm1 Tm2 Tm1 60.47(3) . 2_656 ?
O18 As1 O6 97.6(5) . . ?
O18 As1 O29 96.9(5) . . ?
O6 As1 O29 98.0(5) . . ?
O15 K1 O45 152.8(5) . 1_655 ?
O15 K1 O23 70.6(4) . . ?
O45 K1 O23 136.3(4) 1_655 . ?
O15 K1 O41 89.4(4) . 2_656 ?
O45 K1 O41 95.9(4) 1_655 2_656 ?
O23 K1 O41 71.7(4) . 2_656 ?
O15 K1 O1W 79.9(5) . . ?
O45 K1 O1W 75.8(5) 1_655 . ?
O23 K1 O1W 135.2(5) . . ?
O41 K1 O1W 75.2(5) 2_656 . ?
O15 K1 O31 84.4(4) . 1_655 ?
O45 K1 O31 79.8(4) 1_655 1_655 ?
O23 K1 O31 127.4(4) . 1_655 ?
O41 K1 O31 155.5(4) 2_656 1_655 ?
O1W K1 O31 80.3(4) . 1_655 ?
O15 K1 O14W 125.8(10) . . ?
O45 K1 O14W 65.3(10) 1_655 . ?
O23 K1 O14W 94.5(9) . . ?
O41 K1 O14W 136.2(9) 2_656 . ?
O1W K1 O14W 130.2(9) . . ?
O31 K1 O14W 63.7(9) 1_655 . ?
O15 K1 O17 50.4(4) . . ?
O45 K1 O17 144.1(4) 1_655 . ?
O23 K1 O17 50.1(3) . . ?
O41 K1 O17 115.4(4) 2_656 . ?
O1W K1 O17 127.1(4) . . ?
O31 K1 O17 78.2(3) 1_655 . ?
O14W K1 O17 79.6(9) . . ?
O15 K1 K5 96.8(3) . 2_656 ?
O45 K1 K5 107.4(3) 1_655 2_656 ?
O23 K1 K5 32.5(3) . 2_656 ?
O41 K1 K5 51.7(3) 2_656 2_656 ?
O1W K1 K5 126.9(4) . 2_656 ?
O31 K1 K5 152.6(3) 1_655 2_656 ?
O14W K1 K5 94.6(9) . 2_656 ?
O17 K1 K5 81.6(3) . 2_656 ?
O15 K1 W4 21.7(3) . . ?
O45 K1 W4 155.0(3) 1_655 . ?
O23 K1 W4 64.4(3) . . ?
O41 K1 W4 105.9(3) 2_656 . ?
O1W K1 W4 97.8(4) . . ?
O31 K1 W4 75.3(3) 1_655 . ?
O14W K1 W4 104.5(9) . . ?
O17 K1 W4 29.9(2) . . ?
K5 K1 W4 95.85(14) 2_656 . ?
O15 K1 W6 63.7(3) . . ?
O45 K1 W6 141.8(3) 1_655 . ?
O23 K1 W6 23.3(3) . . ?
O41 K1 W6 94.2(3) 2_656 . ?
O1W K1 W6 142.4(4) . . ?
O31 K1 W6 104.1(3) 1_655 . ?
O14W K1 W6 82.1(9) . . ?
O17 K1 W6 27.9(2) . . ?
K5 K1 W6 53.72(12) 2_656 . ?
W4 K1 W6 49.81(6) . . ?
O15 K1 K2 52.0(3) . 1_655 ?
O45 K1 K2 102.5(3) 1_655 1_655 ?
O23 K1 K2 120.8(3) . 1_655 ?
O41 K1 K2 116.2(3) 2_656 1_655 ?
O1W K1 K2 52.4(4) . 1_655 ?
O31 K1 K2 43.2(2) 1_655 1_655 ?
O14W K1 K2 106.6(9) . 1_655 ?
O17 K1 K2 79.8(2) . 1_655 ?
K5 K1 K2 148.58(18) 2_656 1_655 ?
W4 K1 K2 56.94(11) . 1_655 ?
W6 K1 K2 105.74(14) . 1_655 ?
O13W K2 O2W 71.1(11) . . ?
O13W K2 O31 149.0(10) . . ?
O2W K2 O31 125.0(7) . . ?
O13W K2 O39 93.5(10) . . ?
O2W K2 O39 65.3(7) . . ?
O31 K2 O39 117.0(4) . . ?
O13W K2 O14 75.4(10) . 1_455 ?
O2W K2 O14 103.9(7) . 1_455 ?
O31 K2 O14 74.9(4) . 1_455 ?
O39 K2 O14 166.9(4) . 1_455 ?
O13W K2 O38 131.7(10) . . ?
O2W K2 O38 100.3(7) . . ?
O31 K2 O38 75.3(4) . . ?
O39 K2 O38 44.1(4) . . ?
O14 K2 O38 148.9(4) 1_455 . ?
O13W K2 O5 112.0(9) . . ?
O2W K2 O5 170.8(7) . . ?
O31 K2 O5 56.8(3) . . ?
O39 K2 O5 105.6(4) . . ?
O14 K2 O5 85.3(4) 1_455 . ?
O38 K2 O5 71.1(3) . . ?
O13W K2 O1 74.2(9) . . ?
O2W K2 O1 120.2(6) . . ?
O31 K2 O1 109.7(4) . . ?
O39 K2 O1 70.0(4) . . ?
O14 K2 O1 112.5(4) 1_455 . ?
O38 K2 O1 70.1(4) . . ?
O5 K2 O1 54.7(3) . . ?
O13W K2 C4 109.9(10) . . ?
O2W K2 C4 85.4(7) . . ?
O31 K2 C4 98.4(4) . . ?
O39 K2 C4 22.2(4) . . ?
O14 K2 C4 170.5(4) 1_455 . ?
O38 K2 C4 23.2(3) . . ?
O5 K2 C4 85.4(4) . . ?
O1 K2 C4 63.0(4) . . ?
O13W K2 O15 90.9(9) . 1_455 ?
O2W K2 O15 62.8(6) . 1_455 ?
O31 K2 O15 77.4(4) . 1_455 ?
O39 K2 O15 123.1(4) . 1_455 ?
O14 K2 O15 51.6(4) 1_455 1_455 ?
O38 K2 O15 128.4(4) . 1_455 ?
O5 K2 O15 124.7(4) . 1_455 ?
O1 K2 O15 161.4(4) . 1_455 ?
C4 K2 O15 134.3(4) . 1_455 ?
O13W K2 O1W 125.9(10) . 1_455 ?
O2W K2 O1W 54.8(6) . 1_455 ?
O31 K2 O1W 76.0(4) . 1_455 ?
O39 K2 O1W 64.7(4) . 1_455 ?
O14 K2 O1W 116.1(5) 1_455 1_455 ?
O38 K2 O1W 64.1(4) . 1_455 ?
O5 K2 O1W 121.2(4) . 1_455 ?
O1 K2 O1W 130.7(4) . 1_455 ?
C4 K2 O1W 67.7(4) . 1_455 ?
O15 K2 O1W 67.2(4) 1_455 1_455 ?
O13W K2 W9 137.3(9) . . ?
O2W K2 W9 150.0(6) . . ?
O31 K2 W9 26.6(2) . . ?
O39 K2 W9 112.5(3) . . ?
O14 K2 W9 80.5(3) 1_455 . ?
O38 K2 W9 68.8(2) . . ?
O5 K2 W9 30.4(2) . . ?
O1 K2 W9 83.4(3) . . ?
C4 K2 W9 90.5(3) . . ?
O15 K2 W9 101.1(3) 1_455 . ?
O1W K2 W9 96.3(3) 1_455 . ?
O19 K3 O16 90.6(4) . 2_767 ?
O19 K3 O9 120.8(5) . 2_767 ?
O16 K3 O9 54.7(4) 2_767 2_767 ?
O19 K3 O8 168.9(5) . 2_767 ?
O16 K3 O8 92.9(4) 2_767 2_767 ?
O9 K3 O8 54.2(3) 2_767 2_767 ?
O19 K3 O13 135.3(5) . 2_767 ?
O16 K3 O13 54.8(4) 2_767 2_767 ?
O9 K3 O13 64.8(4) 2_767 2_767 ?
O8 K3 O13 54.0(3) 2_767 2_767 ?
O19 K3 O8W 74.9(6) . 2_767 ?
O16 K3 O8W 97.3(6) 2_767 2_767 ?
O9 K3 O8W 65.9(5) 2_767 2_767 ?
O8 K3 O8W 94.2(6) 2_767 2_767 ?
O13 K3 O8W 130.7(6) 2_767 2_767 ?
O19 K3 W5 97.7(3) . 2_767 ?
O16 K3 W5 28.3(3) 2_767 2_767 ?
O9 K3 W5 30.0(2) 2_767 2_767 ?
O8 K3 W5 80.6(3) 2_767 2_767 ?
O13 K3 W5 66.0(3) 2_767 2_767 ?
O8W K3 W5 73.0(5) 2_767 2_767 ?
O19 K3 W2 143.3(4) . 2_767 ?
O16 K3 W2 80.7(3) 2_767 2_767 ?
O9 K3 W2 29.8(2) 2_767 2_767 ?
O8 K3 W2 28.0(2) 2_767 2_767 ?
O13 K3 W2 65.3(3) 2_767 2_767 ?
O8W K3 W2 71.0(5) 2_767 2_767 ?
W5 K3 W2 59.50(11) 2_767 2_767 ?
O19 K3 W4 108.9(4) . 2_767 ?
O16 K3 W4 31.1(3) 2_767 2_767 ?
O9 K3 W4 66.8(3) 2_767 2_767 ?
O8 K3 W4 78.9(3) 2_767 2_767 ?
O13 K3 W4 27.7(2) 2_767 2_767 ?
O8W K3 W4 125.6(5) 2_767 2_767 ?
W5 K3 W4 52.60(10) 2_767 2_767 ?
W2 K3 W4 81.01(13) 2_767 2_767 ?
O19 K3 W3 159.9(4) . 2_767 ?
O16 K3 W3 78.4(3) 2_767 2_767 ?
O9 K3 W3 66.0(3) 2_767 2_767 ?
O8 K3 W3 30.9(2) 2_767 2_767 ?
O13 K3 W3 26.6(2) 2_767 2_767 ?
O8W K3 W3 122.8(5) 2_767 2_767 ?
W5 K3 W3 80.58(13) 2_767 2_767 ?
W2 K3 W3 51.90(9) 2_767 2_767 ?
W4 K3 W3 54.22(10) 2_767 2_767 ?
O19 K3 K4 96.2(4) . 2_767 ?
O16 K3 K4 129.0(4) 2_767 2_767 ?
O9 K3 K4 79.3(3) 2_767 2_767 ?
O8 K3 K4 73.5(3) 2_767 2_767 ?
O13 K3 K4 126.9(3) 2_767 2_767 ?
O8W K3 K4 38.1(5) 2_767 2_767 ?
W5 K3 K4 100.8(2) 2_767 2_767 ?
W2 K3 K4 64.32(16) 2_767 2_767 ?
W4 K3 K4 144.7(2) 2_767 2_767 ?
W3 K3 K4 103.86(19) 2_767 2_767 ?
O8W K4 O30 87.4(6) . 2_667 ?
O8W K4 O7 69.8(6) . . ?
O30 K4 O7 70.1(4) 2_667 . ?
O8W K4 O35 135.3(7) . 2_666 ?
O30 K4 O35 119.6(5) 2_667 2_666 ?
O7 K4 O35 86.0(5) . 2_666 ?
O8W K4 O4W 83.5(7) . 2_767 ?
O30 K4 O4W 79.4(6) 2_667 2_767 ?
O7 K4 O4W 139.7(6) . 2_767 ?
O35 K4 O4W 133.0(6) 2_666 2_767 ?
O8W K4 O15W 153.8(8) . 2_667 ?
O30 K4 O15W 73.7(6) 2_667 2_667 ?
O7 K4 O15W 118.1(7) . 2_667 ?
O35 K4 O15W 70.8(7) 2_666 2_667 ?
O4W K4 O15W 75.4(7) 2_767 2_667 ?
O8W K4 K3 42.4(5) . 2_767 ?
O30 K4 K3 119.5(4) 2_667 2_767 ?
O7 K4 K3 62.9(3) . 2_767 ?
O35 K4 K3 93.3(4) 2_666 2_767 ?
O4W K4 K3 115.1(5) 2_767 2_767 ?
O15W K4 K3 163.6(6) 2_667 2_767 ?
O36 K5 O23 145.7(6) . 2_656 ?
O36 K5 O26 81.5(5) . 2_656 ?
O23 K5 O26 77.8(5) 2_656 2_656 ?
O36 K5 O9W 95.0(11) . 1_454 ?
O23 K5 O9W 111.1(12) 2_656 1_454 ?
O26 K5 O9W 87.8(11) 2_656 1_454 ?
O36 K5 O41 65.9(5) . . ?
O23 K5 O41 90.8(5) 2_656 . ?
O26 K5 O41 99.2(4) 2_656 . ?
O9W K5 O41 158.1(11) 1_454 . ?
O36 K5 C2 18.6(5) . . ?
O23 K5 C2 164.2(6) 2_656 . ?
O26 K5 C2 92.3(5) 2_656 . ?
O9W K5 C2 80.4(11) 1_454 . ?
O41 K5 C2 78.6(5) . . ?
O36 K5 W6 154.9(5) . 2_656 ?
O23 K5 W6 20.8(4) 2_656 2_656 ?
O26 K5 W6 74.2(3) 2_656 2_656 ?
O9W K5 W6 90.3(11) 1_454 2_656 ?
O41 K5 W6 111.6(3) . 2_656 ?
C2 K5 W6 164.0(4) . 2_656 ?
O36 K5 K1 117.6(5) . 2_656 ?
O23 K5 K1 56.2(4) 2_656 2_656 ?
O26 K5 K1 122.9(3) 2_656 2_656 ?
O9W K5 K1 136.6(10) 1_454 2_656 ?
O41 K5 K1 54.7(3) . 2_656 ?
C2 K5 K1 123.0(4) . 2_656 ?
W6 K5 K1 72.49(14) 2_656 2_656 ?
O36 K5 Tm2 42.0(4) . 2_656 ?
O23 K5 Tm2 109.6(4) 2_656 2_656 ?
O26 K5 Tm2 40.5(3) 2_656 2_656 ?
O9W K5 Tm2 98.9(10) 1_454 2_656 ?
O41 K5 Tm2 74.4(3) . 2_656 ?
C2 K5 Tm2 56.5(4) . 2_656 ?
W6 K5 Tm2 112.92(14) 2_656 2_656 ?
K1 K5 Tm2 124.45(18) 2_656 2_656 ?
O36 K5 C5 63.9(5) . . ?
O23 K5 C5 85.5(5) 2_656 . ?
O26 K5 C5 79.6(4) 2_656 . ?
O9W K5 C5 156.6(11) 1_454 . ?
O41 K5 C5 19.6(4) . . ?
C2 K5 C5 80.6(5) . . ?
W6 K5 C5 104.8(3) 2_656 . ?
K1 K5 C5 66.1(3) 2_656 . ?
Tm2 K5 C5 59.0(3) 2_656 . ?
O36 K5 W7 98.2(4) . 2_656 ?
O23 K5 W7 70.3(4) 2_656 2_656 ?
O26 K5 W7 21.5(3) 2_656 2_656 ?
O9W K5 W7 72.9(10) 1_454 2_656 ?
O41 K5 W7 118.6(3) . 2_656 ?
C2 K5 W7 104.5(4) . 2_656 ?
W6 K5 W7 60.04(8) 2_656 2_656 ?
K1 K5 W7 124.72(17) 2_656 2_656 ?
Tm2 K5 W7 60.18(8) 2_656 2_656 ?
C5 K5 W7 99.1(3) . 2_656 ?
O36 K5 K6 123.5(5) . 1_454 ?
O23 K5 K6 75.6(5) 2_656 1_454 ?
O26 K5 K6 73.1(3) 2_656 1_454 ?
O9W K5 K6 36.2(11) 1_454 1_454 ?
O41 K5 K6 165.4(4) . 1_454 ?
C2 K5 K6 113.5(4) . 1_454 ?
W6 K5 K6 54.80(17) 2_656 1_454 ?
K1 K5 K6 118.6(2) 2_656 1_454 ?
Tm2 K5 K6 104.83(18) 2_656 1_454 ?
C5 K5 K6 149.4(3) . 1_454 ?
W7 K5 K6 52.06(13) 2_656 1_454 ?
O14W K6 O22 97.4(11) . . ?
O14W K6 O24 133.0(11) . 2_757 ?
O22 K6 O24 129.1(5) . 2_757 ?
O14W K6 O25 97.2(11) . 2_757 ?
O22 K6 O25 136.8(6) . 2_757 ?
O24 K6 O25 55.3(4) 2_757 2_757 ?
O14W K6 O9W 133.4(14) . . ?
O22 K6 O9W 73.1(9) . . ?
O24 K6 O9W 75.2(8) 2_757 . ?
O25 K6 O9W 67.3(9) 2_757 . ?
O14W K6 O22 148.6(12) . 2_757 ?
O22 K6 O22 79.0(5) . 2_757 ?
O24 K6 O22 55.2(4) 2_757 2_757 ?
O25 K6 O22 106.8(5) 2_757 2_757 ?
O9W K6 O22 75.9(9) . 2_757 ?
O14W K6 O10W 80.2(12) . 2_757 ?
O22 K6 O10W 139.4(7) . 2_757 ?
O24 K6 O10W 61.1(5) 2_757 2_757 ?
O25 K6 O10W 83.2(6) 2_757 2_757 ?
O9W K6 O10W 136.0(9) . 2_757 ?
O22 K6 O10W 82.8(6) 2_757 2_757 ?
O14W K6 W7 114.8(11) . 2_757 ?
O22 K6 W7 141.9(5) . 2_757 ?
O24 K6 W7 29.5(2) 2_757 2_757 ?
O25 K6 W7 25.9(3) 2_757 2_757 ?
O9W K6 W7 70.1(8) . 2_757 ?
O22 K6 W7 83.0(3) 2_757 2_757 ?
O10W K6 W7 69.5(5) 2_757 2_757 ?
O14W K6 W6 150.5(11) . 2_757 ?
O22 K6 W6 102.4(4) . 2_757 ?
O24 K6 W6 29.9(2) 2_757 2_757 ?
O25 K6 W6 83.2(3) 2_757 2_757 ?
O9W K6 W6 74.0(8) . 2_757 ?
O22 K6 W6 25.3(3) 2_757 2_757 ?
O10W K6 W6 70.5(5) 2_757 2_757 ?
W7 K6 W6 58.29(14) 2_757 2_757 ?
O14W K6 K6 131.3(11) . 2_757 ?
O22 K6 K6 42.0(3) . 2_757 ?
O24 K6 K6 89.8(4) 2_757 2_757 ?
O25 K6 K6 130.0(5) 2_757 2_757 ?
O9W K6 K6 69.9(8) . 2_757 ?
O22 K6 K6 36.9(3) 2_757 2_757 ?
O10W K6 K6 112.3(6) 2_757 2_757 ?
W7 K6 K6 113.5(3) 2_757 2_757 ?
W6 K6 K6 61.0(2) 2_757 2_757 ?
O14W K6 K5 157.0(11) . 1_656 ?
O22 K6 K5 87.3(4) . 1_656 ?
O24 K6 K5 49.9(3) 2_757 1_656 ?
O25 K6 K5 65.3(3) 2_757 1_656 ?
O9W K6 K5 27.7(8) . 1_656 ?
O22 K6 K5 54.4(3) 2_757 1_656 ?
O10W K6 K5 110.6(5) 2_757 1_656 ?
W7 K6 K5 55.16(15) 2_757 1_656 ?
W6 K6 K5 46.82(13) 2_757 1_656 ?
K6 K6 K5 64.8(3) 2_757 1_656 ?
O14W K6 K5 74.7(11) . 2_656 ?
O22 K6 K5 50.3(3) . 2_656 ?
O24 K6 K5 127.4(4) 2_757 2_656 ?
O25 K6 K5 170.8(4) 2_757 2_656 ?
O9W K6 K5 121.4(8) . 2_656 ?
O22 K6 K5 79.4(3) 2_757 2_656 ?
O10W K6 K5 90.9(5) 2_757 2_656 ?
W7 K6 K5 155.2(3) 2_757 2_656 ?
W6 K6 K5 101.6(3) 2_757 2_656 ?
K6 K6 K5 58.9(2) 2_757 2_656 ?
K5 K6 K5 123.7(2) 1_656 2_656 ?
W1 O1 K2 102.8(5) . . ?
W1 O2 Tm1 152.4(6) . . ?
W2 O3 W1 122.2(6) . . ?
W1 O4 W3 117.9(6) . . ?
W9 O5 W1 146.9(6) . . ?
W9 O5 K2 96.0(4) . . ?
W1 O5 K2 101.9(4) . . ?
As1 O6 W3 116.1(5) . . ?
As1 O6 W2 135.6(6) . . ?
W3 O6 W2 94.3(4) . . ?
As1 O6 W1 117.1(5) . . ?
W3 O6 W1 91.1(4) . . ?
W2 O6 W1 92.1(4) . . ?
W2 O7 K4 146.5(7) . . ?
W2 O8 W3 120.0(6) . . ?
W2 O8 K3 102.7(5) . 2_767 ?
W3 O8 K3 103.5(4) . 2_767 ?
W2 O9 W5 156.5(7) . . ?
W2 O9 K3 100.6(5) . 2_767 ?
W5 O9 K3 100.1(5) . 2_767 ?
W8 O10 W2 149.4(7) . . ?
W3 O13 W4 145.2(7) . . ?
W3 O13 K3 108.2(5) . 2_767 ?
W4 O13 K3 106.1(5) . 2_767 ?
W4 O14 K2 106.4(6) . 1_655 ?
W4 O15 K1 122.3(6) . . ?
W4 O15 K2 96.2(5) . 1_655 ?
K1 O15 K2 86.8(4) . 1_655 ?
W5 O16 W4 119.9(6) . . ?
W5 O16 K3 104.2(5) . 2_767 ?
W4 O16 K3 104.8(5) . 2_767 ?
W6 O17 W4 121.0(6) . . ?
W6 O17 K1 95.1(5) . . ?
W4 O17 K1 90.0(4) . . ?
As1 O18 W4 116.2(5) . . ?
As1 O18 W6 119.2(5) . . ?
W4 O18 W6 92.6(4) . . ?
As1 O18 W5 132.8(6) . . ?
W4 O18 W5 94.7(4) . . ?
W6 O18 W5 92.1(4) . . ?
W5 O19 K3 145.6(7) . . ?
W5 O20 W6 120.8(6) . . ?
W8 O21 W5 149.4(7) . . ?
W6 O22 K6 146.2(8) . . ?
W6 O22 K6 104.4(6) . 2_757 ?
K6 O22 K6 101.0(5) . 2_757 ?
W6 O23 K5 138.2(8) . 2_656 ?
W6 O23 K1 118.5(6) . . ?
K5 O23 K1 91.4(5) 2_656 . ?
W7 O24 W6 151.0(7) . . ?
W7 O24 K6 99.9(5) . 2_757 ?
W6 O24 K6 100.3(5) . 2_757 ?
W7 O25 K6 104.0(6) . 2_757 ?
W7 O26 Tm2 124.8(6) . . ?
W7 O26 K5 132.0(6) . 2_656 ?
Tm2 O26 K5 96.8(5) . 2_656 ?
W7 O27 W8 119.9(6) . . ?
W7 O28 W9 121.1(6) . . ?
As1 O29 W8 133.5(5) . . ?
As1 O29 W9 114.1(5) . . ?
W8 O29 W9 94.5(4) . . ?
As1 O29 W7 120.7(5) . . ?
W8 O29 W7 91.7(4) . . ?
W9 O29 W7 93.0(4) . . ?
W8 O30 K4 136.7(7) . 2_667 ?
W9 O31 K2 106.3(5) . . ?
W9 O31 K1 162.4(6) . 1_455 ?
K2 O31 K1 91.0(4) . 1_455 ?
W9 O32 Tm1 141.0(6) . . ?
W9 O32 Tm2 123.6(5) . . ?
Tm1 O32 Tm2 93.6(4) . . ?
W8 O33 W9 122.4(6) . . ?
C1 O34 Tm2 116.5(12) . 2_656 ?
C1 O35 K4 125.7(13) . 2_666 ?
C2 O36 K5 138.8(11) . . ?
C2 O36 Tm2 100.9(9) . 2_656 ?
K5 O36 Tm2 109.9(6) . 2_656 ?
C3 O37 Tm1 117.2(10) . . ?
C3 O37 Tm2 118.2(10) . 2_656 ?
Tm1 O37 Tm2 111.7(4) . 2_656 ?
C4 O38 Tm1 119.1(10) . . ?
C4 O38 K2 88.3(10) . . ?
Tm1 O38 K2 135.6(5) . . ?
C4 O39 K2 95.1(11) . . ?
C5 O40 Tm2 142.2(10) . 2_656 ?
C5 O40 Tm1 117.4(10) . 2_656 ?
Tm2 O40 Tm1 99.1(4) 2_656 2_656 ?
C5 O41 K5 111.7(11) . . ?
C5 O41 K1 124.0(11) . 2_656 ?
K5 O41 K1 73.5(4) . 2_656 ?
C6 O42 Tm1 107.3(9) . 2_656 ?
C7 O43 Tm1 118.9(9) . . ?
C7 O43 Tm1 117.6(9) . 2_656 ?
Tm1 O43 Tm1 103.4(4) . 2_656 ?
C7 O43 Tm2 113.8(9) . . ?
Tm1 O43 Tm2 97.4(4) . . ?
Tm1 O43 Tm2 102.9(4) 2_656 . ?
C8 O44 Tm2 122.5(11) . . ?
C8 O45 K1 121.2(12) . 1_455 ?
O35 C1 O34 126.2(19) . . ?
O35 C1 C2 118.5(17) . . ?
O34 C1 C2 115.1(17) . . ?
O36 C2 C1 108.4(15) . . ?
O36 C2 C3 107.9(14) . . ?
C1 C2 C3 108.5(14) . . ?
O36 C2 K5 22.7(6) . . ?
C1 C2 K5 104.5(11) . . ?
C3 C2 K5 128.9(12) . . ?
O36 C2 H2 110.6 . . ?
C1 C2 H2 110.6 . . ?
C3 C2 H2 110.6 . . ?
K5 C2 H2 92.3 . . ?
O37 C3 C2 109.2(15) . . ?
O37 C3 C4 111.4(13) . . ?
C2 C3 C4 114.9(14) . . ?
O37 C3 H3 107.0 . . ?
C2 C3 H3 107.0 . . ?
C4 C3 H3 107.0 . . ?
O39 C4 O38 125.0(16) . . ?
O39 C4 C3 118.9(15) . . ?
O38 C4 C3 116.1(14) . . ?
O39 C4 K2 62.7(10) . . ?
O38 C4 K2 68.5(9) . . ?
C3 C4 K2 153.6(11) . . ?
O41 C5 O40 123.8(15) . . ?
O41 C5 C6 120.3(15) . . ?
O40 C5 C6 115.0(14) . . ?
O41 C5 K5 48.8(9) . . ?
O40 C5 K5 80.3(9) . . ?
C6 C5 K5 160.5(11) . . ?
C7 C6 O42 105.3(13) . . ?
C7 C6 C5 108.2(14) . . ?
O42 C6 C5 109.8(14) . . ?
C7 C6 H6 111.1 . . ?
O42 C6 H6 111.1 . . ?
C5 C6 H6 111.1 . . ?
O43 C7 C6 109.6(13) . . ?
O43 C7 C8 112.3(12) . . ?
C6 C7 C8 109.8(13) . . ?
O43 C7 H7 108.3 . . ?
C6 C7 H7 108.3 . . ?
C8 C7 H7 108.3 . . ?
O45 C8 O44 123.1(17) . . ?
O45 C8 C7 118.0(15) . . ?
O44 C8 C7 118.9(14) . . ?
K1 O1W K2 83.1(5) . 1_655 ?
K4 O8W K3 99.5(8) . 2_767 ?
K5 O9W K6 116.1(16) 1_656 . ?
K6 O14W K1 112.7(16) . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.499 0.500 0.500 452 113 '1 lithium atom and 11 water molecules'
_platon_squeeze_details          
;
 Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 113 electrons
 in 452 Å³ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [113] in the void per unit cell, 
 which is attributed to one lithium atom and
 eleven disordered water molecules per molecule unit.
 Therefore, some reported items that derive from the molecular formula, 
 (e.g., F(000), density, etc.) are known to be incorrect.
;


_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         3.744
_refine_diff_density_min         -2.656
_refine_diff_density_rms         0.394
_database_code_depnum_ccdc_archive 'CCDC 987823'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_4

# start Validation Reply Form
_vrf_PLAT201_4                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 58 Report
RESPONSE: Due to the large structure and the existence of a large 
 amount of weight atoms, the intensity data are not very good, 
 leading to the ADP max/min ratio of many C and O atoms, 
 and it is very difficult to refine this large structure, therefore,
 in the final refinement, the W, As, lanthanoid, 
 and K atoms were refined anisotropically;
 the O and C atoms were refined isotropically.
;


_vrf_PLAT430_4                   
;
PROBLEM: Short Inter D...A Contact O3W .. O3W .. 2.33 Ang.
RESPONSE: In the crystal structure, there are a number of short connections
 between  Ow(H2O) and O(POM) in the range 2.50-2.90 Ang,
 which indicate extensive H bonding interactions among them. 
 Some shorter connections between Ow(H2O) or O(POM) result from
 the disordered water molecules.  
;


_vrf_PLAT601_4                   
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of . 425 Ang3
RESPONSE: Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 90 electrons
 in 425 \%A^3^ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [90] in the void per unit cell, 
 which is attributed to one lithium atom and
 nine disordered water molecules per molecule unit.
 Therefore, some reported items that derive from the molecular formula, 
 (e.g., F(000), density, etc.) are known to be incorrect.
;

_vrf_PLAT043_4                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by .. 67.35 Check
RESPONSE: H atoms on the water molecules are not present in the refined
 structure but they obvioulsy must be counted.
;


_vrf_PLAT220_4                   
;
PROBLEM: Large Non-Solvent O Ueq(max)/Ueq(min) Range 8.2 Ratio
RESPONSE: In polyoxometalate(POM) compounds, the Ueq of oxygen atoms in
 the POM skeleton is small due to multiple covalent bonds,
 whereas the Ueq of these dissociative water
 oxygen atoms is biggish without the constraint of covalent bonds. 
;



_vrf_PLAT306_4                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O5W Check
RESPONSE: The hydrogen atoms of the water molecules could not be directly 
 located from the difference Fourier maps because of the presence of too many
 heavy atoms in the structures.
;

# end Validation Reply Form


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H86 As2 K9 Li O123 W18 Yb4'
_chemical_formula_weight         6749.78

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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'
W W -0.8490 6.8722 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.8725(7)
_cell_length_b                   16.5529(9)
_cell_length_c                   17.2796(10)
_cell_angle_alpha                98.6930(10)
_cell_angle_beta                 99.7480(10)
_cell_angle_gamma                90.1770(10)
_cell_volume                     3307.0(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    6166
_cell_measurement_theta_min      2.17
_cell_measurement_theta_max      28.22

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2913
_exptl_absorpt_coefficient_mu    19.263
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.1009
_exptl_absorpt_correction_T_max  0.1382
_exptl_absorpt_process_details   
;
 SADABS v.2.10 (Bruker, 2003) was used for
 absorption correction. Estimated minimum and maximum transmission: 0.4034
 and 0.7457. The Ratio of minimum to maximum transmission is 0.5409.
 The λ/2 correction factor is 0.0015.'
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17030
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0571
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11517
_reflns_number_gt                9291
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0603P)²+61.2431P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11517
_refine_ls_number_parameters     434
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0461
_refine_ls_wR_factor_ref         0.1270
_refine_ls_wR_factor_gt          0.1185
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.49478(5) 0.33424(3) 0.63898(4) 0.01913(14) Uani 1 1 d . . .
W2 W 0.63131(5) 0.44728(4) 0.80932(4) 0.02259(15) Uani 1 1 d . . .
W3 W 0.77090(5) 0.38197(4) 0.65570(4) 0.02167(15) Uani 1 1 d . . .
W4 W 0.98724(5) 0.28721(4) 0.78539(4) 0.02695(16) Uani 1 1 d . . .
W5 W 0.85073(5) 0.34801(4) 0.94374(4) 0.02639(16) Uani 1 1 d . . .
W6 W 0.91388(5) 0.14926(4) 0.89287(4) 0.02701(16) Uani 1 1 d . . .
W7 W 0.60743(5) 0.09511(4) 0.88259(4) 0.02302(15) Uani 1 1 d . . .
W8 W 0.54270(5) 0.29188(4) 0.92080(4) 0.02301(15) Uani 1 1 d . . .
W9 W 0.41530(5) 0.17441(4) 0.74926(3) 0.01733(14) Uani 1 1 d . . .
Yb1 Yb 0.50218(5) 0.11059(4) 0.53918(4) 0.01473(14) Uani 1 1 d . . .
Yb2 Yb 0.54865(5) -0.02967(4) 0.67890(4) 0.01920(15) Uani 1 1 d . . .
As1 As 0.70064(12) 0.22131(8) 0.75013(8) 0.0154(3) Uani 1 1 d . . .
K1 K 1.0472(4) 0.0607(3) 0.6980(3) 0.0501(11) Uani 1 1 d . . .
K2 K 0.1760(4) 0.2624(4) 0.6250(3) 0.0628(14) Uani 1 1 d . . .
K3 K 1.0623(6) 0.4763(4) 1.1515(4) 0.0609(18) Uani 0.75 1 d P . .
K4 K 0.6851(7) 0.7071(5) 0.9134(4) 0.0679(19) Uani 0.75 1 d P . .
K5 K 0.1688(11) 0.0262(8) 0.2334(8) 0.083(4) Uani 0.50 1 d P . .
K6 K 1.1677(8) -0.0161(6) 0.9628(5) 0.053(2) Uani 0.50 1 d PU . .
O1 O 0.3723(9) 0.3638(7) 0.5793(7) 0.030(3) Uiso 1 1 d . . .
O2 O 0.5323(8) 0.2404(6) 0.5862(6) 0.022(2) Uiso 1 1 d . . .
O3 O 0.5013(9) 0.4282(6) 0.7284(6) 0.025(2) Uiso 1 1 d . . .
O4 O 0.6123(9) 0.3944(6) 0.6075(6) 0.026(2) Uiso 1 1 d . . .
O5 O 0.4209(8) 0.2724(6) 0.7057(6) 0.023(2) Uiso 1 1 d . . .
O6 O 0.6612(8) 0.3218(6) 0.7308(6) 0.020(2) Uiso 1 1 d . . .
O7 O 0.6019(10) 0.5438(7) 0.8534(7) 0.035(3) Uiso 1 1 d . . .
O8 O 0.7239(9) 0.4737(6) 0.7402(6) 0.026(2) Uiso 1 1 d . . .
O9 O 0.7595(9) 0.4194(7) 0.8812(7) 0.030(3) Uiso 1 1 d . . .
O10 O 0.5466(9) 0.3803(6) 0.8671(6) 0.027(2) Uiso 1 1 d . . .
O11 O 0.8338(9) 0.4490(7) 0.6070(7) 0.033(3) Uiso 1 1 d . . .
O12 O 0.7807(9) 0.2855(7) 0.6000(7) 0.029(3) Uiso 1 1 d . . .
O13 O 0.8937(9) 0.3668(6) 0.7384(6) 0.027(2) Uiso 1 1 d . . .
O14 O 1.1212(11) 0.3249(8) 0.7818(8) 0.043(3) Uiso 1 1 d . . .
O15 O 0.9601(10) 0.2143(7) 0.7011(7) 0.037(3) Uiso 1 1 d . . .
O16 O 0.9710(9) 0.3643(7) 0.8931(7) 0.032(3) Uiso 1 1 d . . .
O17 O 1.0298(9) 0.2070(7) 0.8568(7) 0.030(3) Uiso 1 1 d . . .
O18 O 0.8221(8) 0.2498(6) 0.8255(6) 0.022(2) Uiso 1 1 d . . .
O19 O 0.8888(10) 0.4129(7) 1.0314(7) 0.038(3) Uiso 1 1 d . . .
O20 O 0.9085(9) 0.2499(7) 0.9747(7) 0.030(3) Uiso 1 1 d . . .
O21 O 0.7003(9) 0.3099(7) 0.9579(7) 0.029(3) Uiso 1 1 d . . .
O22 O 0.9965(10) 0.0936(8) 0.9555(7) 0.040(3) Uiso 1 1 d . . .
O23 O 0.8801(10) 0.0806(7) 0.8004(7) 0.035(3) Uiso 1 1 d . . .
O24 O 0.7647(8) 0.1250(6) 0.9164(6) 0.023(2) Uiso 1 1 d . . .
O25 O 0.5957(10) 0.0158(8) 0.9352(8) 0.041(3) Uiso 1 1 d . . .
O26 O 0.6568(8) 0.0405(6) 0.7855(6) 0.025(2) Uiso 1 1 d . . .
O27 O 0.5628(8) 0.1825(6) 0.9535(6) 0.024(2) Uiso 1 1 d . . .
O28 O 0.4604(9) 0.0902(6) 0.8177(6) 0.027(2) Uiso 1 1 d . . .
O29 O 0.5996(8) 0.2095(6) 0.8142(6) 0.018(2) Uiso 1 1 d . . .
O30 O 0.4855(10) 0.3344(7) 1.0024(7) 0.037(3) Uiso 1 1 d . . .
O31 O 0.2705(9) 0.1489(7) 0.7223(7) 0.029(3) Uiso 1 1 d . . .
O32 O 0.4813(8) 0.1148(6) 0.6729(6) 0.020(2) Uiso 1 1 d . . .
O33 O 0.4085(8) 0.2452(6) 0.8521(6) 0.024(2) Uiso 1 1 d . . .
O34 O 0.4361(10) 0.1347(7) 0.2467(7) 0.037(3) Uiso 1 1 d . . .
O35 O 0.3765(12) 0.2628(9) 0.2453(9) 0.056(4) Uiso 1 1 d . . .
O36 O 0.2630(8) 0.0908(6) 0.3021(6) 0.024(2) Uiso 1 1 d . . .
O37 O 0.4446(8) 0.1404(6) 0.4170(6) 0.020(2) Uiso 1 1 d . . .
O38 O 0.3133(8) 0.1529(6) 0.5252(6) 0.024(2) Uiso 1 1 d . . .
O39 O 0.1822(11) 0.2197(8) 0.4599(8) 0.045(3) Uiso 1 1 d . . .
O40 O 0.3460(8) -0.0383(6) 0.3927(6) 0.024(2) Uiso 1 1 d . . .
O41 O 0.1688(9) 0.0082(7) 0.3929(7) 0.033(3) Uiso 1 1 d . . .
O42 O 0.3169(8) -0.1494(6) 0.4836(6) 0.024(2) Uiso 1 1 d . . .
O43 O 0.4254(7) -0.0133(5) 0.5563(5) 0.014(2) Uiso 1 1 d . . .
O44 O 0.3677(9) -0.0591(7) 0.6907(7) 0.030(3) Uiso 1 1 d . . .
O45 O 0.1854(10) -0.0638(7) 0.6414(7) 0.036(3) Uiso 1 1 d . . .
C1 C 0.3729(14) 0.1930(11) 0.2675(10) 0.032(4) Uiso 1 1 d . . .
C2 C 0.2922(14) 0.1761(10) 0.3199(10) 0.029(4) Uiso 1 1 d . . .
H2 H 0.2241 0.2091 0.3121 0.035 Uiso 1 1 calc R . .
C3 C 0.3552(12) 0.1933(9) 0.4065(9) 0.024(3) Uiso 1 1 d . . .
H3 H 0.3878 0.2491 0.4160 0.028 Uiso 1 1 calc R . .
C4 C 0.2762(12) 0.1875(9) 0.4686(9) 0.021(3) Uiso 1 1 d . . .
C5 C 0.2510(13) -0.0340(9) 0.4191(9) 0.024(3) Uiso 1 1 d . . .
C6 C 0.2477(13) -0.0763(9) 0.4871(9) 0.023(3) Uiso 1 1 d . . .
H6 H 0.1688 -0.0899 0.4913 0.028 Uiso 1 1 calc R . .
C7 C 0.3068(11) -0.0221(9) 0.5616(8) 0.017(3) Uiso 1 1 d . . .
H7 H 0.2740 0.0322 0.5614 0.020 Uiso 1 1 calc R . .
C8 C 0.2843(12) -0.0523(9) 0.6365(9) 0.021(3) Uiso 1 1 d . . .
O1W O 1.0509(13) 0.0844(10) 0.5347(10) 0.065(4) Uiso 1 1 d . . .
O2W O -0.038(2) 0.2421(14) 0.5245(14) 0.079(7) Uiso 0.75 1 d P . .
O3W O 0.4040(19) 0.4902(14) 0.9713(14) 0.072(6) Uiso 0.75 1 d P . .
O4W O 1.2491(17) 0.1870(12) 0.9386(12) 0.093(6) Uiso 1 1 d . . .
O5W O 0.647(2) 0.1848(14) 0.2205(14) 0.113(7) Uiso 1 1 d . . .
O6W O 0.002(2) -0.1631(16) 0.6622(16) 0.134(9) Uiso 1 1 d . . .
O7W O 1.3128(9) 0.4140(7) 0.8087(7) 0.033(3) Uiso 1 1 d . . .
O8W O 0.8279(18) 0.5957(13) 0.9867(13) 0.106(7) Uiso 1 1 d . . .
O9W O 1.187(3) 0.0939(19) 1.119(2) 0.121(11) Uiso 0.75 1 d P . .
O10W O 0.773(2) 0.2014(15) 1.0976(15) 0.124(8) Uiso 1 1 d . . .
O11W O 0.383(3) -0.281(2) 0.588(2) 0.095(12) Uiso 0.50 1 d P . .
O12W O 0.184(3) 0.396(2) 0.451(2) 0.080(10) Uiso 0.50 1 d P . .
O13W O 0.094(3) 0.418(2) 0.615(2) 0.086(11) Uiso 0.50 1 d P . .
O14W O 1.325(4) -0.029(3) 0.860(3) 0.115 Uiso 0.50 1 d P . .
O15W O 0.482(2) 0.1544(16) 1.0888(16) 0.095(8) Uiso 0.75 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
W1 O1 1.751(11) . ?
W1 O2 1.777(10) . ?
W1 O4 1.910(10) . ?
W1 O5 1.960(10) . ?
W1 O3 2.011(10) . ?
W1 O6 2.346(10) . ?
W1 K2 3.921(6) . ?
W2 O7 1.727(12) . ?
W2 O8 1.851(11) . ?
W2 O3 1.890(10) . ?
W2 O9 1.900(11) . ?
W2 O10 1.976(11) . ?
W2 O6 2.366(10) . ?
W2 K3 3.765(6) 2_767 ?
W3 O11 1.728(12) . ?
W3 O12 1.751(11) . ?
W3 O13 1.907(10) . ?
W3 O4 1.951(10) . ?
W3 O8 2.088(10) . ?
W3 O6 2.308(10) . ?
W3 K3 3.988(6) 2_767 ?
W4 O14 1.721(13) . ?
W4 O15 1.730(12) . ?
W4 O13 1.912(11) . ?
W4 O17 1.957(11) . ?
W4 O16 2.129(11) . ?
W4 O18 2.300(10) . ?
W4 K2 3.826(5) 1_655 ?
W4 K1 3.939(4) . ?
W4 K3 3.975(7) 2_767 ?
W5 O19 1.711(12) . ?
W5 O16 1.835(11) . ?
W5 O20 1.882(11) . ?
W5 O9 1.933(11) . ?
W5 O21 1.958(11) . ?
W5 O18 2.385(10) . ?
W5 K3 3.773(7) 2_767 ?
W6 O22 1.712(12) . ?
W6 O23 1.799(12) . ?
W6 O17 1.913(11) . ?
W6 O24 1.937(10) . ?
W6 O20 2.024(11) . ?
W6 O18 2.340(10) . ?
W6 K5 3.391(13) 2_656 ?
W6 K6 3.805(9) 2_757 ?
W6 K1 4.040(5) . ?
W7 O25 1.724(13) . ?
W7 O27 1.887(10) . ?
W7 O24 1.900(10) . ?
W7 O28 1.902(10) . ?
W7 O26 1.963(10) . ?
W7 O29 2.374(10) . ?
W7 Yb2 3.7554(9) . ?
W7 K6 3.825(8) 2_757 ?
W7 K5 3.966(13) 2_656 ?
W8 O30 1.724(12) . ?
W8 O10 1.852(11) . ?
W8 O21 1.880(11) . ?
W8 O33 1.902(10) . ?
W8 O27 1.981(10) . ?
W8 O29 2.319(10) . ?
W9 O31 1.737(10) . ?
W9 O32 1.814(10) . ?
W9 O5 1.893(10) . ?
W9 O28 1.979(11) . ?
W9 O33 1.990(10) . ?
W9 O29 2.312(9) . ?
W9 K2 3.702(5) . ?
Yb1 O2 2.185(10) . ?
Yb1 O37 2.235(10) . ?
Yb1 O43 2.321(9) . ?
Yb1 O38 2.335(10) . ?
Yb1 O42 2.353(10) 2_656 ?
Yb1 O32 2.356(10) . ?
Yb1 O43 2.396(9) 2_656 ?
Yb1 O40 2.406(10) 2_656 ?
Yb1 C4 3.113(15) . ?
Yb1 C6 3.120(15) 2_656 ?
Yb1 C3 3.128(15) . ?
Yb1 C5 3.209(15) 2_656 ?
Yb2 O26 2.221(10) . ?
Yb2 O44 2.251(11) . ?
Yb2 O37 2.290(10) 2_656 ?
Yb2 O40 2.301(10) 2_656 ?
Yb2 O34 2.303(12) 2_656 ?
Yb2 O43 2.414(9) . ?
Yb2 O36 2.449(10) 2_656 ?
Yb2 O32 2.535(10) . ?
Yb2 C2 3.078(17) 2_656 ?
Yb2 C1 3.085(17) 2_656 ?
Yb2 C8 3.108(14) . ?
Yb2 C3 3.193(15) 2_656 ?
As1 O18 1.782(10) . ?
As1 O29 1.793(10) . ?
As1 O6 1.794(10) . ?
K1 O15 2.744(13) . ?
K1 O45 2.802(12) 1_655 ?
K1 O23 2.862(13) . ?
K1 O41 2.902(12) 2_656 ?
K1 O1W 2.914(17) . ?
K1 O31 2.958(11) 1_655 ?
K1 K5 3.402(14) 2_656 ?
K1 O17 3.409(12) . ?
K1 K2 4.119(8) 1_655 ?
K1 K6 4.915(10) . ?
K2 O13W 2.77(4) . ?
K2 O2W 2.82(2) . ?
K2 O31 2.817(12) . ?
K2 O39 2.848(14) . ?
K2 O14 2.930(14) 1_455 ?
K2 O38 2.990(11) . ?
K2 O5 2.996(11) . ?
K2 O1 3.142(12) . ?
K2 C4 3.215(16) . ?
K2 O15 3.221(13) 1_455 ?
K2 O1W 3.334(17) 1_455 ?
K3 O19 2.744(13) . ?
K3 O16 2.870(13) 2_767 ?
K3 O9 2.907(13) 2_767 ?
K3 O8 2.922(12) 2_767 ?
K3 O13 2.966(12) 2_767 ?
K3 O8W 3.00(2) 2_767 ?
K3 W2 3.765(6) 2_767 ?
K3 W5 3.773(7) 2_767 ?
K3 W4 3.975(7) 2_767 ?
K3 W3 3.988(6) 2_767 ?
K3 K4 4.431(11) 2_767 ?
K4 O8W 2.81(2) . ?
K4 O30 2.826(14) 2_667 ?
K4 O35 2.836(17) 2_666 ?
K4 O7 2.853(14) . ?
K4 O4W 2.86(2) 2_767 ?
K4 O15W 3.03(3) 2_667 ?
K4 K3 4.431(11) 2_767 ?
K5 O36 1.722(16) . ?
K5 O23 1.837(18) 2_656 ?
K5 O26 2.398(16) 2_656 ?
K5 O9W 2.45(4) 1_454 ?
K5 O41 2.818(17) . ?
K5 C2 2.94(2) . ?
K5 W6 3.391(13) 2_656 ?
K5 K1 3.402(14) 2_656 ?
K5 Yb2 3.436(12) 2_656 ?
K5 C5 3.49(2) . ?
K5 W7 3.966(13) 2_656 ?
K5 K6 4.619(16) 1_454 ?
K6 O22 2.731(15) . ?
K6 O14W 2.78(5) . ?
K6 O24 2.970(13) 2_757 ?
K6 O22 2.983(16) 2_757 ?
K6 O9W 3.00(3) . ?
K6 O25 3.052(15) 2_757 ?
K6 O10W 3.21(3) 2_757 ?
K6 W6 3.805(9) 2_757 ?
K6 W7 3.825(8) 2_757 ?
K6 K6 4.397(17) 2_757 ?
K6 K5 4.619(16) 1_656 ?
K6 K5 4.767(15) 2_656 ?
O8 K3 2.922(12) 2_767 ?
O9 K3 2.907(13) 2_767 ?
O13 K3 2.966(12) 2_767 ?
O14 K2 2.930(14) 1_655 ?
O15 K2 3.221(13) 1_655 ?
O16 K3 2.870(13) 2_767 ?
O22 K6 2.983(16) 2_757 ?
O23 K5 1.837(18) 2_656 ?
O24 K6 2.970(13) 2_757 ?
O25 K6 3.052(15) 2_757 ?
O26 K5 2.398(16) 2_656 ?
O30 K4 2.826(14) 2_667 ?
O31 K1 2.958(11) 1_455 ?
O34 C1 1.272(19) . ?
O34 Yb2 2.303(12) 2_656 ?
O35 C1 1.27(2) . ?
O35 K4 2.836(17) 2_666 ?
O36 C2 1.427(19) . ?
O36 Yb2 2.449(10) 2_656 ?
O37 C3 1.383(17) . ?
O37 Yb2 2.290(10) 2_656 ?
O38 C4 1.226(18) . ?
O39 C4 1.234(19) . ?
O40 C5 1.285(18) . ?
O40 Yb2 2.301(10) 2_656 ?
O40 Yb1 2.406(10) 2_656 ?
O41 C5 1.264(18) . ?
O41 K1 2.902(12) 2_656 ?
O42 C6 1.463(18) . ?
O42 Yb1 2.353(10) 2_656 ?
O43 C7 1.435(16) . ?
O43 Yb1 2.396(9) 2_656 ?
O44 C8 1.261(18) . ?
O45 C8 1.208(18) . ?
O45 K1 2.802(12) 1_455 ?
C1 C2 1.48(2) . ?
C1 Yb2 3.085(17) 2_656 ?
C2 C3 1.54(2) . ?
C2 Yb2 3.078(17) 2_656 ?
C2 H2 0.9800 . ?
C3 C4 1.55(2) . ?
C3 Yb2 3.193(15) 2_656 ?
C3 H3 0.9800 . ?
C5 C6 1.46(2) . ?
C5 Yb1 3.209(15) 2_656 ?
C6 C7 1.52(2) . ?
C6 Yb1 3.120(15) 2_656 ?
C6 H6 0.9800 . ?
C7 C8 1.52(2) . ?
C7 H7 0.9800 . ?
O1W K2 3.334(17) 1_655 ?
O4W K4 2.86(2) 2_767 ?
O8W K3 3.00(2) 2_767 ?
O9W K5 2.45(4) 1_656 ?
O10W K6 3.21(3) 2_757 ?
O15W K4 3.03(3) 2_667 ?

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
O1 W1 O2 104.8(5) . . ?
O1 W1 O4 101.6(5) . . ?
O2 W1 O4 92.7(4) . . ?
O1 W1 O5 98.9(5) . . ?
O2 W1 O5 89.1(4) . . ?
O4 W1 O5 158.2(4) . . ?
O1 W1 O3 96.8(5) . . ?
O2 W1 O3 158.3(4) . . ?
O4 W1 O3 84.8(4) . . ?
O5 W1 O3 85.5(4) . . ?
O1 W1 O6 168.7(4) . . ?
O2 W1 O6 86.0(4) . . ?
O4 W1 O6 74.0(4) . . ?
O5 W1 O6 84.5(4) . . ?
O3 W1 O6 72.6(4) . . ?
O1 W1 K2 51.4(4) . . ?
O2 W1 K2 93.5(3) . . ?
O4 W1 K2 153.0(3) . . ?
O5 W1 K2 48.2(3) . . ?
O3 W1 K2 98.5(3) . . ?
O6 W1 K2 132.7(3) . . ?
O7 W2 O8 100.4(5) . . ?
O7 W2 O3 99.4(5) . . ?
O8 W2 O3 92.9(5) . . ?
O7 W2 O9 102.3(5) . . ?
O8 W2 O9 91.6(5) . . ?
O3 W2 O9 156.6(5) . . ?
O7 W2 O10 99.8(5) . . ?
O8 W2 O10 159.8(4) . . ?
O3 W2 O10 84.8(4) . . ?
O9 W2 O10 83.0(5) . . ?
O7 W2 O6 171.5(5) . . ?
O8 W2 O6 74.8(4) . . ?
O3 W2 O6 74.1(4) . . ?
O9 W2 O6 85.0(4) . . ?
O10 W2 O6 85.3(4) . . ?
O7 W2 K3 85.5(4) . 2_767 ?
O8 W2 K3 49.5(3) . 2_767 ?
O3 W2 K3 142.1(3) . 2_767 ?
O9 W2 K3 49.3(3) . 2_767 ?
O10 W2 K3 131.7(3) . 2_767 ?
O6 W2 K3 96.2(3) . 2_767 ?
O11 W3 O12 104.8(5) . . ?
O11 W3 O13 101.2(5) . . ?
O12 W3 O13 94.8(5) . . ?
O11 W3 O4 98.0(5) . . ?
O12 W3 O4 93.6(5) . . ?
O13 W3 O4 156.2(4) . . ?
O11 W3 O8 94.4(5) . . ?
O12 W3 O8 160.5(5) . . ?
O13 W3 O8 84.4(4) . . ?
O4 W3 O8 80.3(4) . . ?
O11 W3 O6 165.2(4) . . ?
O12 W3 O6 88.4(4) . . ?
O13 W3 O6 83.9(4) . . ?
O4 W3 O6 74.2(4) . . ?
O8 W3 O6 72.1(4) . . ?
O11 W3 K3 82.8(4) . 2_767 ?
O12 W3 K3 139.6(4) . 2_767 ?
O13 W3 K3 45.1(3) . 2_767 ?
O4 W3 K3 125.1(3) . 2_767 ?
O8 W3 K3 45.3(3) . 2_767 ?
O6 W3 K3 91.5(3) . 2_767 ?
O14 W4 O15 102.7(6) . . ?
O14 W4 O13 100.5(5) . . ?
O15 W4 O13 94.0(5) . . ?
O14 W4 O17 99.4(5) . . ?
O15 W4 O17 93.9(5) . . ?
O13 W4 O17 156.3(5) . . ?
O14 W4 O16 94.7(5) . . ?
O15 W4 O16 162.6(5) . . ?
O13 W4 O16 83.0(4) . . ?
O17 W4 O16 82.8(4) . . ?
O14 W4 O18 164.7(5) . . ?
O15 W4 O18 91.4(5) . . ?
O13 W4 O18 84.1(4) . . ?
O17 W4 O18 73.4(4) . . ?
O16 W4 O18 71.3(4) . . ?
O14 W4 K2 46.8(4) . 1_655 ?
O15 W4 K2 56.8(4) . 1_655 ?
O13 W4 K2 94.0(3) . 1_655 ?
O17 W4 K2 109.0(3) . 1_655 ?
O16 W4 K2 140.3(3) . 1_655 ?
O18 W4 K2 148.0(3) . 1_655 ?
O14 W4 K1 94.9(4) . . ?
O15 W4 K1 36.3(4) . . ?
O13 W4 K1 130.3(3) . . ?
O17 W4 K1 59.9(3) . . ?
O16 W4 K1 142.6(3) . . ?
O18 W4 K1 93.0(3) . . ?
K2 W4 K1 64.06(11) 1_655 . ?
O14 W4 K3 81.1(4) . 2_767 ?
O15 W4 K3 138.5(4) . 2_767 ?
O13 W4 K3 45.5(3) . 2_767 ?
O17 W4 K3 126.6(3) . 2_767 ?
O16 W4 K3 44.4(3) . 2_767 ?
O18 W4 K3 92.3(3) . 2_767 ?
K2 W4 K3 109.04(14) 1_655 2_767 ?
K1 W4 K3 172.68(13) . 2_767 ?
O19 W5 O16 101.3(5) . . ?
O19 W5 O20 99.9(5) . . ?
O16 W5 O20 93.1(5) . . ?
O19 W5 O9 100.3(5) . . ?
O16 W5 O9 89.8(5) . . ?
O20 W5 O9 158.6(5) . . ?
O19 W5 O21 99.7(5) . . ?
O16 W5 O21 158.6(5) . . ?
O20 W5 O21 87.4(5) . . ?
O9 W5 O21 82.4(5) . . ?
O19 W5 O18 172.3(5) . . ?
O16 W5 O18 74.3(4) . . ?
O20 W5 O18 74.3(4) . . ?
O9 W5 O18 86.1(4) . . ?
O21 W5 O18 85.3(4) . . ?
O19 W5 K3 85.1(4) . 2_767 ?
O16 W5 K3 47.4(4) . 2_767 ?
O20 W5 K3 140.0(3) . 2_767 ?
O9 W5 K3 49.2(3) . 2_767 ?
O21 W5 K3 131.2(3) . 2_767 ?
O18 W5 K3 96.1(3) . 2_767 ?
O22 W6 O23 104.5(6) . . ?
O22 W6 O17 100.5(5) . . ?
O23 W6 O17 93.0(5) . . ?
O22 W6 O24 99.6(5) . . ?
O23 W6 O24 89.5(5) . . ?
O17 W6 O24 158.4(4) . . ?
O22 W6 O20 96.1(5) . . ?
O23 W6 O20 159.1(5) . . ?
O17 W6 O20 86.6(5) . . ?
O24 W6 O20 83.5(4) . . ?
O22 W6 O18 167.5(5) . . ?
O23 W6 O18 86.9(4) . . ?
O17 W6 O18 73.2(4) . . ?
O24 W6 O18 85.6(4) . . ?
O20 W6 O18 73.0(4) . . ?
O22 W6 K5 89.3(5) . 2_656 ?
O23 W6 K5 21.3(4) . 2_656 ?
O17 W6 K5 110.8(4) . 2_656 ?
O24 W6 K5 77.2(4) . 2_656 ?
O20 W6 K5 160.6(4) . 2_656 ?
O18 W6 K5 103.0(3) . 2_656 ?
O22 W6 K6 49.2(4) . 2_757 ?
O23 W6 K6 100.9(4) . 2_757 ?
O17 W6 K6 148.9(4) . 2_757 ?
O24 W6 K6 50.3(3) . 2_757 ?
O20 W6 K6 89.8(4) . 2_757 ?
O18 W6 K6 134.7(3) . 2_757 ?
K5 W6 K6 79.6(3) 2_656 2_757 ?
O22 W6 K1 95.8(4) . . ?
O23 W6 K1 38.6(4) . . ?
O17 W6 K1 57.3(3) . . ?
O24 W6 K1 128.1(3) . . ?
O20 W6 K1 143.4(3) . . ?
O18 W6 K1 89.9(3) . . ?
K5 W6 K1 53.6(2) 2_656 . ?
K6 W6 K1 123.49(16) 2_757 . ?
O25 W7 O27 99.9(5) . . ?
O25 W7 O24 100.5(5) . . ?
O27 W7 O24 91.9(4) . . ?
O25 W7 O28 101.4(5) . . ?
O27 W7 O28 90.6(4) . . ?
O24 W7 O28 157.2(5) . . ?
O25 W7 O26 102.9(5) . . ?
O27 W7 O26 157.2(4) . . ?
O24 W7 O26 84.7(4) . . ?
O28 W7 O26 84.3(4) . . ?
O25 W7 O29 172.4(5) . . ?
O27 W7 O29 75.0(4) . . ?
O24 W7 O29 85.4(4) . . ?
O28 W7 O29 73.5(4) . . ?
O26 W7 O29 82.3(4) . . ?
O25 W7 Yb2 97.0(4) . . ?
O27 W7 Yb2 147.1(3) . . ?
O24 W7 Yb2 112.6(3) . . ?
O28 W7 Yb2 58.3(3) . . ?
O26 W7 Yb2 28.0(3) . . ?
O29 W7 Yb2 85.1(2) . . ?
O25 W7 K6 51.1(4) . 2_757 ?
O27 W7 K6 95.6(3) . 2_757 ?
O24 W7 K6 49.6(3) . 2_757 ?
O28 W7 K6 152.4(4) . 2_757 ?
O26 W7 K6 99.2(3) . 2_757 ?
O29 W7 K6 134.1(3) . 2_757 ?
Yb2 W7 K6 116.93(15) . 2_757 ?
O25 W7 K5 91.0(5) . 2_656 ?
O27 W7 K5 153.6(4) . 2_656 ?
O24 W7 K5 62.3(4) . 2_656 ?
O28 W7 K5 110.9(4) . 2_656 ?
O26 W7 K5 27.3(3) . 2_656 ?
O29 W7 K5 96.0(3) . 2_656 ?
Yb2 W7 K5 52.76(18) . 2_656 ?
K6 W7 K5 72.7(2) 2_757 2_656 ?
O30 W8 O10 101.5(5) . . ?
O30 W8 O21 101.9(5) . . ?
O10 W8 O21 88.2(5) . . ?
O30 W8 O33 100.5(5) . . ?
O10 W8 O33 93.0(4) . . ?
O21 W8 O33 156.9(5) . . ?
O30 W8 O27 95.2(5) . . ?
O10 W8 O27 163.2(4) . . ?
O21 W8 O27 86.6(4) . . ?
O33 W8 O27 85.7(4) . . ?
O30 W8 O29 167.8(5) . . ?
O10 W8 O29 88.9(4) . . ?
O21 W8 O29 84.6(4) . . ?
O33 W8 O29 72.3(4) . . ?
O27 W8 O29 74.7(4) . . ?
O31 W9 O32 104.6(5) . . ?
O31 W9 O5 100.3(5) . . ?
O32 W9 O5 93.9(4) . . ?
O31 W9 O28 98.8(5) . . ?
O32 W9 O28 88.4(4) . . ?
O5 W9 O28 159.5(4) . . ?
O31 W9 O33 97.9(5) . . ?
O32 W9 O33 157.0(4) . . ?
O5 W9 O33 86.6(4) . . ?
O28 W9 O33 83.5(4) . . ?
O31 W9 O29 167.0(4) . . ?
O32 W9 O29 86.1(4) . . ?
O5 W9 O29 86.2(4) . . ?
O28 W9 O29 73.6(4) . . ?
O33 W9 O29 71.1(4) . . ?
O31 W9 K2 46.9(4) . . ?
O32 W9 K2 100.5(3) . . ?
O5 W9 K2 53.6(3) . . ?
O28 W9 K2 145.7(3) . . ?
O33 W9 K2 98.2(3) . . ?
O29 W9 K2 139.5(3) . . ?
O2 Yb1 O37 90.6(4) . . ?
O2 Yb1 O43 146.3(4) . . ?
O37 Yb1 O43 112.5(3) . . ?
O2 Yb1 O38 80.5(4) . . ?
O37 Yb1 O38 69.7(4) . . ?
O43 Yb1 O38 84.8(3) . . ?
O2 Yb1 O42 72.0(4) . 2_656 ?
O37 Yb1 O42 83.1(3) . 2_656 ?
O43 Yb1 O42 132.6(3) . 2_656 ?
O38 Yb1 O42 141.0(4) . 2_656 ?
O2 Yb1 O32 77.9(4) . . ?
O37 Yb1 O32 151.9(3) . . ?
O43 Yb1 O32 70.3(3) . . ?
O38 Yb1 O32 83.0(3) . . ?
O42 Yb1 O32 116.5(3) 2_656 . ?
O2 Yb1 O43 136.3(3) . 2_656 ?
O37 Yb1 O43 70.1(3) . 2_656 ?
O43 Yb1 O43 76.5(3) . 2_656 ?
O38 Yb1 O43 124.2(3) . 2_656 ?
O42 Yb1 O43 67.1(3) 2_656 2_656 ?
O32 Yb1 O43 134.6(3) . 2_656 ?
O2 Yb1 O40 107.0(4) . 2_656 ?
O37 Yb1 O40 138.1(3) . 2_656 ?
O43 Yb1 O40 72.5(3) . 2_656 ?
O38 Yb1 O40 149.2(4) . 2_656 ?
O42 Yb1 O40 67.7(4) 2_656 2_656 ?
O32 Yb1 O40 70.0(3) . 2_656 ?
O43 Yb1 O40 71.1(3) 2_656 2_656 ?
O2 Yb1 C4 77.4(4) . . ?
O37 Yb1 C4 50.3(4) . . ?
O43 Yb1 C4 98.2(3) . . ?
O38 Yb1 C4 20.2(4) . . ?
O42 Yb1 C4 123.2(4) 2_656 . ?
O32 Yb1 C4 101.7(4) . . ?
O43 Yb1 C4 113.0(3) 2_656 . ?
O40 Yb1 C4 169.0(4) 2_656 . ?
O2 Yb1 C6 96.0(4) . 2_656 ?
O37 Yb1 C6 94.1(4) . 2_656 ?
O43 Yb1 C6 106.0(4) . 2_656 ?
O38 Yb1 C6 163.3(4) . 2_656 ?
O42 Yb1 C6 26.6(4) 2_656 2_656 ?
O32 Yb1 C6 112.4(4) . 2_656 ?
O43 Yb1 C6 49.3(3) 2_656 2_656 ?
O40 Yb1 C6 47.4(4) 2_656 2_656 ?
C4 Yb1 C6 143.1(4) . 2_656 ?
O2 Yb1 C3 78.0(4) . . ?
O37 Yb1 C3 23.0(4) . . ?
O43 Yb1 C3 113.9(4) . . ?
O38 Yb1 C3 49.0(4) . . ?
O42 Yb1 C3 97.4(4) 2_656 . ?
O32 Yb1 C3 129.0(4) . . ?
O43 Yb1 C3 92.3(4) 2_656 . ?
O40 Yb1 C3 160.8(4) 2_656 . ?
C4 Yb1 C3 28.8(4) . . ?
C6 Yb1 C3 114.3(4) 2_656 . ?
O2 Yb1 C5 103.5(4) . 2_656 ?
O37 Yb1 C5 119.1(4) . 2_656 ?
O43 Yb1 C5 86.9(3) . 2_656 ?
O38 Yb1 C5 169.9(4) . 2_656 ?
O42 Yb1 C5 48.6(4) 2_656 2_656 ?
O32 Yb1 C5 88.7(4) . 2_656 ?
O43 Yb1 C5 59.0(3) 2_656 2_656 ?
O40 Yb1 C5 20.8(4) 2_656 2_656 ?
C4 Yb1 C5 169.4(4) . 2_656 ?
C6 Yb1 C5 26.6(4) 2_656 2_656 ?
C3 Yb1 C5 140.6(4) . 2_656 ?
O26 Yb2 O44 116.3(4) . . ?
O26 Yb2 O37 140.7(4) . 2_656 ?
O44 Yb2 O37 93.4(4) . 2_656 ?
O26 Yb2 O40 85.4(4) . 2_656 ?
O44 Yb2 O40 142.3(4) . 2_656 ?
O37 Yb2 O40 85.6(4) 2_656 2_656 ?
O26 Yb2 O34 84.3(4) . 2_656 ?
O44 Yb2 O34 75.3(4) . 2_656 ?
O37 Yb2 O34 78.8(4) 2_656 2_656 ?
O40 Yb2 O34 140.5(4) 2_656 2_656 ?
O26 Yb2 O43 142.4(3) . . ?
O44 Yb2 O43 71.8(4) . . ?
O37 Yb2 O43 68.9(3) 2_656 . ?
O40 Yb2 O43 72.7(3) 2_656 . ?
O34 Yb2 O43 131.6(4) 2_656 . ?
O26 Yb2 O36 71.2(4) . 2_656 ?
O44 Yb2 O36 138.8(4) . 2_656 ?
O37 Yb2 O36 69.5(3) 2_656 2_656 ?
O40 Yb2 O36 75.6(3) 2_656 2_656 ?
O34 Yb2 O36 65.0(4) 2_656 2_656 ?
O43 Yb2 O36 128.8(3) . 2_656 ?
O26 Yb2 O32 77.9(3) . . ?
O44 Yb2 O32 85.4(4) . . ?
O37 Yb2 O32 132.7(3) 2_656 . ?
O40 Yb2 O32 68.6(3) 2_656 . ?
O34 Yb2 O32 144.5(4) 2_656 . ?
O43 Yb2 O32 65.8(3) . . ?
O36 Yb2 O32 134.0(3) 2_656 . ?
O26 Yb2 C2 92.3(4) . 2_656 ?
O44 Yb2 C2 114.5(4) . 2_656 ?
O37 Yb2 C2 50.3(4) 2_656 2_656 ?
O40 Yb2 C2 93.7(4) 2_656 2_656 ?
O34 Yb2 C2 48.9(4) 2_656 2_656 ?
O43 Yb2 C2 118.7(4) . 2_656 ?
O36 Yb2 C2 27.0(4) 2_656 2_656 ?
O32 Yb2 C2 160.1(4) . 2_656 ?
O26 Yb2 C1 91.1(4) . 2_656 ?
O44 Yb2 C1 90.5(4) . 2_656 ?
O37 Yb2 C1 61.9(4) 2_656 2_656 ?
O40 Yb2 C1 121.2(4) 2_656 2_656 ?
O34 Yb2 C1 21.7(4) 2_656 2_656 ?
O43 Yb2 C1 126.3(4) . 2_656 ?
O36 Yb2 C1 48.4(4) 2_656 2_656 ?
O32 Yb2 C1 165.0(4) . 2_656 ?
C2 Yb2 C1 27.7(4) 2_656 2_656 ?
O26 Yb2 C8 129.9(4) . . ?
O44 Yb2 C8 20.1(4) . . ?
O37 Yb2 C8 86.3(4) 2_656 . ?
O40 Yb2 C8 122.8(4) 2_656 . ?
O34 Yb2 C8 92.3(4) 2_656 . ?
O43 Yb2 C8 51.7(3) . . ?
O36 Yb2 C8 149.1(4) 2_656 . ?
O32 Yb2 C8 76.6(3) . . ?
C2 Yb2 C8 122.1(4) 2_656 . ?
C1 Yb2 C8 103.6(4) 2_656 . ?
O26 Yb2 C3 118.8(4) . 2_656 ?
O44 Yb2 C3 106.6(4) . 2_656 ?
O37 Yb2 C3 22.3(4) 2_656 2_656 ?
O40 Yb2 C3 86.0(4) 2_656 2_656 ?
O34 Yb2 C3 66.3(4) 2_656 2_656 ?
O43 Yb2 C3 90.4(3) . 2_656 ?
O36 Yb2 C3 48.0(4) 2_656 2_656 ?
O32 Yb2 C3 149.0(4) . 2_656 ?
C2 Yb2 C3 28.4(4) 2_656 2_656 ?
C1 Yb2 C3 45.8(4) 2_656 2_656 ?
C8 Yb2 C3 104.8(4) . 2_656 ?
O18 As1 O29 97.6(4) . . ?
O18 As1 O6 98.1(4) . . ?
O29 As1 O6 97.1(4) . . ?
O15 K1 O45 152.2(4) . 1_655 ?
O15 K1 O23 70.3(4) . . ?
O45 K1 O23 137.4(4) 1_655 . ?
O15 K1 O41 89.7(4) . 2_656 ?
O45 K1 O41 96.9(4) 1_655 2_656 ?
O23 K1 O41 72.1(3) . 2_656 ?
O15 K1 O1W 80.0(4) . . ?
O45 K1 O1W 75.9(4) 1_655 . ?
O23 K1 O1W 134.8(4) . . ?
O41 K1 O1W 74.4(4) 2_656 . ?
O15 K1 O31 83.9(3) . 1_655 ?
O45 K1 O31 78.8(3) 1_655 1_655 ?
O23 K1 O31 127.0(4) . 1_655 ?
O41 K1 O31 155.2(4) 2_656 1_655 ?
O1W K1 O31 80.9(4) . 1_655 ?
O15 K1 K5 97.0(4) . 2_656 ?
O45 K1 K5 108.4(4) 1_655 2_656 ?
O23 K1 K5 32.7(3) . 2_656 ?
O41 K1 K5 52.4(3) 2_656 2_656 ?
O1W K1 K5 126.8(4) . 2_656 ?
O31 K1 K5 152.2(4) 1_655 2_656 ?
O15 K1 O17 50.6(3) . . ?
O45 K1 O17 142.8(3) 1_655 . ?
O23 K1 O17 50.0(3) . . ?
O41 K1 O17 116.0(3) 2_656 . ?
O1W K1 O17 127.5(4) . . ?
O31 K1 O17 77.7(3) 1_655 . ?
K5 K1 O17 81.5(3) 2_656 . ?
O15 K1 W4 21.9(3) . . ?
O45 K1 W4 153.8(3) 1_655 . ?
O23 K1 W4 63.7(2) . . ?
O41 K1 W4 106.2(3) 2_656 . ?
O1W K1 W4 98.3(3) . . ?
O31 K1 W4 75.1(2) 1_655 . ?
K5 K1 W4 95.6(2) 2_656 . ?
O17 K1 W4 29.78(19) . . ?
O15 K1 W6 64.0(3) . . ?
O45 K1 W6 141.5(3) 1_655 . ?
O23 K1 W6 23.1(2) . . ?
O41 K1 W6 94.6(3) 2_656 . ?
O1W K1 W6 142.6(3) . . ?
O31 K1 W6 104.0(2) 1_655 . ?
K5 K1 W6 53.4(2) 2_656 . ?
O17 K1 W6 28.16(19) . . ?
W4 K1 W6 49.67(5) . . ?
O15 K1 K2 51.3(3) . 1_655 ?
O45 K1 K2 102.2(3) 1_655 1_655 ?
O23 K1 K2 119.8(3) . 1_655 ?
O41 K1 K2 116.2(3) 2_656 1_655 ?
O1W K1 K2 53.3(3) . 1_655 ?
O31 K1 K2 43.1(2) 1_655 1_655 ?
K5 K1 K2 148.2(3) 2_656 1_655 ?
O17 K1 K2 79.2(2) . 1_655 ?
W4 K1 K2 56.63(9) . 1_655 ?
W6 K1 K2 105.30(12) . 1_655 ?
O15 K1 K6 113.8(3) . . ?
O45 K1 K6 87.0(3) 1_655 . ?
O23 K1 K6 64.5(3) . . ?
O41 K1 K6 117.4(3) 2_656 . ?
O1W K1 K6 160.6(3) . . ?
O31 K1 K6 87.0(3) 1_655 . ?
K5 K1 K6 67.1(3) 2_656 . ?
O17 K1 K6 63.4(2) . . ?
W4 K1 K6 93.00(15) . . ?
W6 K1 K6 55.28(12) . . ?
K2 K1 K6 123.81(18) 1_655 . ?
O13W K2 O2W 73.3(9) . . ?
O13W K2 O31 148.0(9) . . ?
O2W K2 O31 124.6(6) . . ?
O13W K2 O39 95.5(9) . . ?
O2W K2 O39 64.4(6) . . ?
O31 K2 O39 115.8(4) . . ?
O13W K2 O14 74.1(8) . 1_455 ?
O2W K2 O14 104.1(6) . 1_455 ?
O31 K2 O14 75.6(4) . 1_455 ?
O39 K2 O14 166.8(4) . 1_455 ?
O13W K2 O38 132.2(8) . . ?
O2W K2 O38 99.5(5) . . ?
O31 K2 O38 75.0(3) . . ?
O39 K2 O38 43.6(3) . . ?
O14 K2 O38 149.4(4) 1_455 . ?
O13W K2 O5 110.4(8) . . ?
O2W K2 O5 169.7(6) . . ?
O31 K2 O5 57.2(3) . . ?
O39 K2 O5 105.4(4) . . ?
O14 K2 O5 86.2(3) 1_455 . ?
O38 K2 O5 70.9(3) . . ?
O13W K2 O1 73.5(8) . . ?
O2W K2 O1 119.5(6) . . ?
O31 K2 O1 110.0(3) . . ?
O39 K2 O1 70.3(3) . . ?
O14 K2 O1 113.3(4) 1_455 . ?
O38 K2 O1 69.8(3) . . ?
O5 K2 O1 54.7(3) . . ?
O13W K2 C4 111.5(9) . . ?
O2W K2 C4 84.9(6) . . ?
O31 K2 C4 97.3(4) . . ?
O39 K2 C4 22.4(4) . . ?
O14 K2 C4 170.7(4) 1_455 . ?
O38 K2 C4 22.4(3) . . ?
O5 K2 C4 84.8(3) . . ?
O1 K2 C4 63.0(3) . . ?
O13W K2 O15 91.1(8) . 1_455 ?
O2W K2 O15 62.6(5) . 1_455 ?
O31 K2 O15 78.1(3) . 1_455 ?
O39 K2 O15 121.8(4) . 1_455 ?
O14 K2 O15 51.7(3) 1_455 1_455 ?
O38 K2 O15 128.3(4) . 1_455 ?
O5 K2 O15 125.8(3) . 1_455 ?
O1 K2 O15 161.9(3) . 1_455 ?
C4 K2 O15 133.5(4) . 1_455 ?
O13W K2 O1W 127.5(9) . 1_455 ?
O2W K2 O1W 54.2(6) . 1_455 ?
O31 K2 O1W 76.0(4) . 1_455 ?
O39 K2 O1W 63.2(4) . 1_455 ?
O14 K2 O1W 116.5(4) 1_455 1_455 ?
O38 K2 O1W 63.7(3) . 1_455 ?
O5 K2 O1W 121.2(4) . 1_455 ?
O1 K2 O1W 129.6(4) . 1_455 ?
C4 K2 O1W 66.7(4) . 1_455 ?
O15 K2 O1W 67.4(4) 1_455 1_455 ?
O13W K2 W9 135.7(8) . . ?
O2W K2 W9 149.6(5) . . ?
O31 K2 W9 26.8(2) . . ?
O39 K2 W9 111.9(3) . . ?
O14 K2 W9 81.3(3) 1_455 . ?
O38 K2 W9 68.6(2) . . ?
O5 K2 W9 30.6(2) . . ?
O1 K2 W9 83.6(2) . . ?
C4 K2 W9 89.7(3) . . ?
O15 K2 W9 101.9(3) 1_455 . ?
O1W K2 W9 96.3(3) 1_455 . ?
O19 K3 O16 90.3(4) . 2_767 ?
O19 K3 O9 119.9(4) . 2_767 ?
O16 K3 O9 54.8(3) 2_767 2_767 ?
O19 K3 O8 168.8(4) . 2_767 ?
O16 K3 O8 93.2(3) 2_767 2_767 ?
O9 K3 O8 55.0(3) 2_767 2_767 ?
O19 K3 O13 135.1(4) . 2_767 ?
O16 K3 O13 54.7(3) 2_767 2_767 ?
O9 K3 O13 65.4(3) 2_767 2_767 ?
O8 K3 O13 54.3(3) 2_767 2_767 ?
O19 K3 O8W 73.2(5) . 2_767 ?
O16 K3 O8W 96.7(5) 2_767 2_767 ?
O9 K3 O8W 66.0(5) 2_767 2_767 ?
O8 K3 O8W 95.8(5) 2_767 2_767 ?
O13 K3 O8W 131.4(5) 2_767 2_767 ?
O19 K3 W2 142.4(4) . 2_767 ?
O16 K3 W2 80.7(3) 2_767 2_767 ?
O9 K3 W2 29.7(2) 2_767 2_767 ?
O8 K3 W2 28.8(2) 2_767 2_767 ?
O13 K3 W2 65.8(2) 2_767 2_767 ?
O8W K3 W2 71.8(4) 2_767 2_767 ?
O19 K3 W5 97.2(3) . 2_767 ?
O16 K3 W5 28.1(2) 2_767 2_767 ?
O9 K3 W5 30.2(2) 2_767 2_767 ?
O8 K3 W5 81.2(2) 2_767 2_767 ?
O13 K3 W5 65.9(2) 2_767 2_767 ?
O8W K3 W5 72.9(4) 2_767 2_767 ?
W2 K3 W5 59.55(10) 2_767 2_767 ?
O19 K3 W4 109.1(3) . 2_767 ?
O16 K3 W4 31.3(2) 2_767 2_767 ?
O9 K3 W4 67.2(2) 2_767 2_767 ?
O8 K3 W4 78.9(2) 2_767 2_767 ?
O13 K3 W4 27.4(2) 2_767 2_767 ?
O8W K3 W4 125.4(5) 2_767 2_767 ?
W2 K3 W4 81.16(11) 2_767 2_767 ?
W5 K3 W4 52.56(9) 2_767 2_767 ?
O19 K3 W3 160.4(4) . 2_767 ?
O16 K3 W3 78.6(3) 2_767 2_767 ?
O9 K3 W3 66.3(2) 2_767 2_767 ?
O8 K3 W3 30.5(2) 2_767 2_767 ?
O13 K3 W3 27.1(2) 2_767 2_767 ?
O8W K3 W3 123.8(5) 2_767 2_767 ?
W2 K3 W3 52.01(7) 2_767 2_767 ?
W5 K3 W3 80.62(11) 2_767 2_767 ?
W4 K3 W3 54.33(8) 2_767 2_767 ?
O19 K3 K4 95.4(3) . 2_767 ?
O16 K3 K4 128.7(3) 2_767 2_767 ?
O9 K3 K4 79.0(3) 2_767 2_767 ?
O8 K3 K4 74.1(3) 2_767 2_767 ?
O13 K3 K4 127.6(3) 2_767 2_767 ?
O8W K3 K4 38.7(4) 2_767 2_767 ?
W2 K3 K4 64.41(15) 2_767 2_767 ?
W5 K3 K4 100.81(19) 2_767 2_767 ?
W4 K3 K4 144.91(19) 2_767 2_767 ?
W3 K3 K4 104.12(17) 2_767 2_767 ?
O8W K4 O30 88.4(6) . 2_667 ?
O8W K4 O35 134.2(6) . 2_666 ?
O30 K4 O35 120.0(5) 2_667 2_666 ?
O8W K4 O7 70.0(5) . . ?
O30 K4 O7 70.4(4) 2_667 . ?
O35 K4 O7 85.9(4) 2_666 . ?
O8W K4 O4W 84.3(6) . 2_767 ?
O30 K4 O4W 79.2(5) 2_667 2_767 ?
O35 K4 O4W 132.7(6) 2_666 2_767 ?
O7 K4 O4W 140.1(5) . 2_767 ?
O8W K4 O15W 154.3(7) . 2_667 ?
O30 K4 O15W 74.1(6) 2_667 2_667 ?
O35 K4 O15W 71.5(6) 2_666 2_667 ?
O7 K4 O15W 119.2(6) . 2_667 ?
O4W K4 O15W 74.2(7) 2_767 2_667 ?
O8W K4 K3 42.0(5) . 2_767 ?
O30 K4 K3 119.7(3) 2_667 2_767 ?
O35 K4 K3 92.6(4) 2_666 2_767 ?
O7 K4 K3 62.6(3) . 2_767 ?
O4W K4 K3 115.9(5) 2_767 2_767 ?
O15W K4 K3 163.3(6) 2_667 2_767 ?
O36 K5 O23 144.9(9) . 2_656 ?
O36 K5 O26 81.0(6) . 2_656 ?
O23 K5 O26 77.7(6) 2_656 2_656 ?
O36 K5 O9W 96.2(10) . 1_454 ?
O23 K5 O9W 110.2(10) 2_656 1_454 ?
O26 K5 O9W 87.2(9) 2_656 1_454 ?
O36 K5 O41 65.1(6) . . ?
O23 K5 O41 91.1(7) 2_656 . ?
O26 K5 O41 99.3(5) 2_656 . ?
O9W K5 O41 158.6(10) 1_454 . ?
O36 K5 C2 19.0(5) . . ?
O23 K5 C2 163.8(8) 2_656 . ?
O26 K5 C2 92.2(6) 2_656 . ?
O9W K5 C2 81.5(9) 1_454 . ?
O41 K5 C2 77.9(5) . . ?
O36 K5 W6 155.1(7) . 2_656 ?
O23 K5 W6 20.9(4) 2_656 2_656 ?
O26 K5 W6 75.0(4) 2_656 2_656 ?
O9W K5 W6 89.3(8) 1_454 2_656 ?
O41 K5 W6 112.0(5) . 2_656 ?
C2 K5 W6 164.7(6) . 2_656 ?
O36 K5 K1 116.7(7) . 2_656 ?
O23 K5 K1 57.3(5) 2_656 2_656 ?
O26 K5 K1 123.8(6) 2_656 2_656 ?
O9W K5 K1 136.4(9) 1_454 2_656 ?
O41 K5 K1 54.7(3) . 2_656 ?
C2 K5 K1 121.9(5) . 2_656 ?
W6 K5 K1 73.0(3) 2_656 2_656 ?
O36 K5 Yb2 42.1(4) . 2_656 ?
O23 K5 Yb2 108.7(6) 2_656 2_656 ?
O26 K5 Yb2 40.0(3) 2_656 2_656 ?
O9W K5 Yb2 99.4(8) 1_454 2_656 ?
O41 K5 Yb2 74.2(4) . 2_656 ?
C2 K5 Yb2 57.1(4) . 2_656 ?
W6 K5 Yb2 113.0(4) 2_656 2_656 ?
K1 K5 Yb2 124.2(4) 2_656 2_656 ?
O36 K5 C5 63.4(6) . . ?
O23 K5 C5 85.4(6) 2_656 . ?
O26 K5 C5 79.7(5) 2_656 . ?
O9W K5 C5 157.1(9) 1_454 . ?
O41 K5 C5 19.7(3) . . ?
C2 K5 C5 80.3(5) . . ?
W6 K5 C5 105.1(4) 2_656 . ?
K1 K5 C5 66.1(4) 2_656 . ?
Yb2 K5 C5 58.7(3) 2_656 . ?
O36 K5 W7 98.6(6) . 2_656 ?
O23 K5 W7 69.5(5) 2_656 2_656 ?
O26 K5 W7 22.1(3) 2_656 2_656 ?
O9W K5 W7 72.1(8) 1_454 2_656 ?
O41 K5 W7 119.0(4) . 2_656 ?
C2 K5 W7 105.2(5) . 2_656 ?
W6 K5 W7 60.0(2) 2_656 2_656 ?
K1 K5 W7 125.2(4) 2_656 2_656 ?
Yb2 K5 W7 60.5(2) 2_656 2_656 ?
C5 K5 W7 99.4(4) . 2_656 ?
O36 K5 K6 124.8(7) . 1_454 ?
O23 K5 K6 74.9(6) 2_656 1_454 ?
O26 K5 K6 73.7(4) 2_656 1_454 ?
O9W K5 K6 35.8(8) 1_454 1_454 ?
O41 K5 K6 165.4(5) . 1_454 ?
C2 K5 K6 114.7(5) . 1_454 ?
W6 K5 K6 54.1(2) 2_656 1_454 ?
K1 K5 K6 118.2(4) 2_656 1_454 ?
Yb2 K5 K6 105.7(3) 2_656 1_454 ?
C5 K5 K6 149.6(5) . 1_454 ?
W7 K5 K6 52.24(18) 2_656 1_454 ?
O22 K6 O14W 122.3(11) . . ?
O22 K6 O24 128.6(4) . 2_757 ?
O14W K6 O24 108.8(10) . 2_757 ?
O22 K6 O22 79.4(4) . 2_757 ?
O14W K6 O22 150.5(11) . 2_757 ?
O24 K6 O22 55.9(3) 2_757 2_757 ?
O22 K6 O9W 70.5(7) . . ?
O14W K6 O9W 126.7(12) . . ?
O24 K6 O9W 75.4(7) 2_757 . ?
O22 K6 O9W 77.0(7) 2_757 . ?
O22 K6 O25 133.7(5) . 2_757 ?
O14W K6 O25 73.2(10) . 2_757 ?
O24 K6 O25 55.1(3) 2_757 2_757 ?
O22 K6 O25 107.5(4) 2_757 2_757 ?
O9W K6 O25 67.0(7) . 2_757 ?
O22 K6 O10W 143.3(6) . 2_757 ?
O14W K6 O10W 66.7(11) . 2_757 ?
O24 K6 O10W 61.8(5) 2_757 2_757 ?
O22 K6 O10W 84.0(6) 2_757 2_757 ?
O9W K6 O10W 136.7(8) . 2_757 ?
O25 K6 O10W 82.6(5) 2_757 2_757 ?
O22 K6 W6 102.5(4) . 2_757 ?
O14W K6 W6 134.2(10) . 2_757 ?
O24 K6 W6 30.1(2) 2_757 2_757 ?
O22 K6 W6 25.8(2) 2_757 2_757 ?
O9W K6 W6 74.4(6) . 2_757 ?
O25 K6 W6 83.2(3) 2_757 2_757 ?
O10W K6 W6 71.9(5) 2_757 2_757 ?
O22 K6 W7 139.5(4) . 2_757 ?
O14W K6 W7 88.9(10) . 2_757 ?
O24 K6 W7 29.2(2) 2_757 2_757 ?
O22 K6 W7 83.5(3) 2_757 2_757 ?
O9W K6 W7 70.0(6) . 2_757 ?
O25 K6 W7 26.1(2) 2_757 2_757 ?
O10W K6 W7 69.4(5) 2_757 2_757 ?
W6 K6 W7 58.24(12) 2_757 2_757 ?
O22 K6 K6 41.8(3) . 2_757 ?
O14W K6 K6 157.2(11) . 2_757 ?
O24 K6 K6 90.4(3) 2_757 2_757 ?
O22 K6 K6 37.6(3) 2_757 2_757 ?
O9W K6 K6 68.9(7) . 2_757 ?
O25 K6 K6 129.2(4) 2_757 2_757 ?
O10W K6 K6 115.3(6) 2_757 2_757 ?
W6 K6 K6 61.5(2) 2_757 2_757 ?
W7 K6 K6 113.3(3) 2_757 2_757 ?
O22 K6 K5 85.4(4) . 1_656 ?
O14W K6 K5 138.4(10) . 1_656 ?
O24 K6 K5 49.5(3) 2_757 1_656 ?
O22 K6 K5 54.6(3) 2_757 1_656 ?
O9W K6 K5 28.6(7) . 1_656 ?
O25 K6 K5 65.5(3) 2_757 1_656 ?
O10W K6 K5 111.0(5) 2_757 1_656 ?
W6 K6 K5 46.2(2) 2_757 1_656 ?
W7 K6 K5 55.06(19) 2_757 1_656 ?
K6 K6 K5 63.8(3) 2_757 1_656 ?
O22 K6 K5 52.4(3) . 2_656 ?
O14W K6 K5 97.3(10) . 2_656 ?
O24 K6 K5 129.5(4) 2_757 2_656 ?
O22 K6 K5 80.2(4) 2_757 2_656 ?
O9W K6 K5 121.3(7) . 2_656 ?
O25 K6 K5 170.4(4) 2_757 2_656 ?
O10W K6 K5 92.7(5) 2_757 2_656 ?
W6 K6 K5 103.3(3) 2_757 2_656 ?
W7 K6 K5 157.0(3) 2_757 2_656 ?
K6 K6 K5 60.4(3) 2_757 2_656 ?
K5 K6 K5 124.2(2) 1_656 2_656 ?
W1 O1 K2 102.8(5) . . ?
W1 O2 Yb1 152.4(6) . . ?
W2 O3 W1 120.7(5) . . ?
W1 O4 W3 118.9(5) . . ?
W9 O5 W1 146.8(6) . . ?
W9 O5 K2 95.8(4) . . ?
W1 O5 K2 102.5(4) . . ?
As1 O6 W3 116.1(5) . . ?
As1 O6 W1 118.1(5) . . ?
W3 O6 W1 91.2(3) . . ?
As1 O6 W2 135.4(5) . . ?
W3 O6 W2 93.5(3) . . ?
W1 O6 W2 92.0(3) . . ?
W2 O7 K4 147.0(6) . . ?
W2 O8 W3 119.5(5) . . ?
W2 O8 K3 101.8(4) . 2_767 ?
W3 O8 K3 104.3(4) . 2_767 ?
W2 O9 W5 155.2(6) . . ?
W2 O9 K3 101.0(5) . 2_767 ?
W5 O9 K3 100.5(4) . 2_767 ?
W8 O10 W2 148.9(6) . . ?
W3 O13 W4 144.3(6) . . ?
W3 O13 K3 107.9(4) . 2_767 ?
W4 O13 K3 107.2(4) . 2_767 ?
W4 O14 K2 107.8(6) . 1_655 ?
W4 O15 K1 121.8(6) . . ?
W4 O15 K2 96.5(5) . 1_655 ?
K1 O15 K2 87.0(3) . 1_655 ?
W5 O16 W4 120.0(6) . . ?
W5 O16 K3 104.5(5) . 2_767 ?
W4 O16 K3 104.4(5) . 2_767 ?
W6 O17 W4 120.1(5) . . ?
W6 O17 K1 94.6(4) . . ?
W4 O17 K1 90.3(4) . . ?
As1 O18 W4 117.2(5) . . ?
As1 O18 W6 119.1(5) . . ?
W4 O18 W6 92.5(3) . . ?
As1 O18 W5 132.5(5) . . ?
W4 O18 W5 94.3(3) . . ?
W6 O18 W5 91.8(3) . . ?
W5 O19 K3 146.8(6) . . ?
W5 O20 W6 120.6(6) . . ?
W8 O21 W5 150.4(6) . . ?
W6 O22 K6 143.1(7) . . ?
W6 O22 K6 105.0(5) . 2_757 ?
K6 O22 K6 100.6(4) . 2_757 ?
W6 O23 K5 137.8(8) . 2_656 ?
W6 O23 K1 118.4(5) . . ?
K5 O23 K1 90.0(6) 2_656 . ?
W7 O24 W6 150.7(6) . . ?
W7 O24 K6 101.2(4) . 2_757 ?
W6 O24 K6 99.5(4) . 2_757 ?
W7 O25 K6 102.9(5) . 2_757 ?
W7 O26 Yb2 127.6(5) . . ?
W7 O26 K5 130.6(6) . 2_656 ?
Yb2 O26 K5 96.1(5) . 2_656 ?
W7 O27 W8 119.5(5) . . ?
W7 O28 W9 120.8(5) . . ?
As1 O29 W9 114.8(5) . . ?
As1 O29 W8 134.5(5) . . ?
W9 O29 W8 94.6(3) . . ?
As1 O29 W7 120.1(5) . . ?
W9 O29 W7 92.1(3) . . ?
W8 O29 W7 90.8(3) . . ?
W8 O30 K4 137.4(6) . 2_667 ?
W9 O31 K2 106.3(5) . . ?
W9 O31 K1 162.4(6) . 1_455 ?
K2 O31 K1 91.0(3) . 1_455 ?
W9 O32 Yb1 140.9(5) . . ?
W9 O32 Yb2 123.8(5) . . ?
Yb1 O32 Yb2 93.8(3) . . ?
W8 O33 W9 121.9(5) . . ?
C1 O34 Yb2 116.3(11) . 2_656 ?
C1 O35 K4 125.2(12) . 2_666 ?
C2 O36 K5 138.0(11) . . ?
C2 O36 Yb2 101.9(8) . 2_656 ?
K5 O36 Yb2 109.7(6) . 2_656 ?
C3 O37 Yb1 117.7(9) . . ?
C3 O37 Yb2 118.7(9) . 2_656 ?
Yb1 O37 Yb2 111.9(4) . 2_656 ?
C4 O38 Yb1 118.5(9) . . ?
C4 O38 K2 89.2(9) . . ?
Yb1 O38 K2 135.7(4) . . ?
C4 O39 K2 95.7(10) . . ?
C5 O40 Yb2 140.8(10) . 2_656 ?
C5 O40 Yb1 117.5(9) . 2_656 ?
Yb2 O40 Yb1 98.8(4) 2_656 2_656 ?
C5 O41 K5 111.6(10) . . ?
C5 O41 K1 124.0(10) . 2_656 ?
K5 O41 K1 73.0(4) . 2_656 ?
C6 O42 Yb1 107.4(8) . 2_656 ?
C7 O43 Yb1 121.1(8) . . ?
C7 O43 Yb1 116.9(7) . 2_656 ?
Yb1 O43 Yb1 103.5(3) . 2_656 ?
C7 O43 Yb2 111.9(7) . . ?
Yb1 O43 Yb2 98.0(3) . . ?
Yb1 O43 Yb2 102.4(3) 2_656 . ?
C8 O44 Yb2 121.9(10) . . ?
C8 O45 K1 123.0(10) . 1_455 ?
O34 C1 O35 123.3(16) . . ?
O34 C1 C2 116.3(15) . . ?
O35 C1 C2 120.4(16) . . ?
O34 C1 Yb2 42.0(8) . 2_656 ?
O35 C1 Yb2 160.6(12) . 2_656 ?
C2 C1 Yb2 75.9(9) . 2_656 ?
O36 C2 C1 107.4(13) . . ?
O36 C2 C3 107.4(13) . . ?
C1 C2 C3 108.3(13) . . ?
O36 C2 K5 23.1(6) . . ?
C1 C2 K5 103.3(11) . . ?
C3 C2 K5 128.9(11) . . ?
O36 C2 Yb2 51.1(7) . 2_656 ?
C1 C2 Yb2 76.4(9) . 2_656 ?
C3 C2 Yb2 80.0(9) . 2_656 ?
K5 C2 Yb2 69.6(4) . 2_656 ?
O36 C2 H2 111.2 . . ?
C1 C2 H2 111.2 . . ?
C3 C2 H2 111.2 . . ?
K5 C2 H2 92.7 . . ?
Yb2 C2 H2 162.2 2_656 . ?
O37 C3 C2 109.6(13) . . ?
O37 C3 C4 110.1(12) . . ?
C2 C3 C4 113.6(12) . . ?
O37 C3 Yb1 39.2(6) . . ?
C2 C3 Yb1 142.6(10) . . ?
C4 C3 Yb1 75.1(8) . . ?
O37 C3 Yb2 39.0(6) . 2_656 ?
C2 C3 Yb2 71.6(8) . 2_656 ?
C4 C3 Yb2 119.3(9) . 2_656 ?
Yb1 C3 Yb2 72.7(3) . 2_656 ?
O37 C3 H3 107.8 . . ?
C2 C3 H3 107.8 . . ?
C4 C3 H3 107.8 . . ?
Yb1 C3 H3 103.2 . . ?
Yb2 C3 H3 128.8 2_656 . ?
O38 C4 O39 123.9(15) . . ?
O38 C4 C3 117.2(13) . . ?
O39 C4 C3 118.8(14) . . ?
O38 C4 Yb1 41.2(7) . . ?
O39 C4 Yb1 164.1(12) . . ?
C3 C4 Yb1 76.1(8) . . ?
O38 C4 K2 68.4(8) . . ?
O39 C4 K2 61.8(9) . . ?
C3 C4 K2 151.4(10) . . ?
Yb1 C4 K2 102.6(4) . . ?
O41 C5 O40 123.3(14) . . ?
O41 C5 C6 121.5(14) . . ?
O40 C5 C6 115.0(13) . . ?
O41 C5 Yb1 164.2(11) . 2_656 ?
O40 C5 Yb1 41.7(7) . 2_656 ?
C6 C5 Yb1 73.3(8) . 2_656 ?
O41 C5 K5 48.7(8) . . ?
O40 C5 K5 78.9(9) . . ?
C6 C5 K5 159.6(10) . . ?
Yb1 C5 K5 119.2(5) 2_656 . ?
C5 C6 O42 111.7(12) . . ?
C5 C6 C7 108.5(12) . . ?
O42 C6 C7 103.4(11) . . ?
C5 C6 Yb1 80.1(9) . 2_656 ?
O42 C6 Yb1 46.0(6) . 2_656 ?
C7 C6 Yb1 83.2(8) . 2_656 ?
C5 C6 H6 111.0 . . ?
O42 C6 H6 111.0 . . ?
C7 C6 H6 111.0 . . ?
Yb1 C6 H6 156.6 2_656 . ?
O43 C7 C6 108.3(11) . . ?
O43 C7 C8 114.8(11) . . ?
C6 C7 C8 111.9(12) . . ?
O43 C7 H7 107.2 . . ?
C6 C7 H7 107.2 . . ?
C8 C7 H7 107.2 . . ?
O45 C8 O44 124.4(15) . . ?
O45 C8 C7 116.6(13) . . ?
O44 C8 C7 118.9(13) . . ?
O45 C8 Yb2 162.1(11) . . ?
O44 C8 Yb2 37.9(7) . . ?
C7 C8 Yb2 80.9(8) . . ?
K1 O1W K2 82.2(4) . 1_655 ?
K4 O8W K3 99.3(7) . 2_767 ?
K5 O9W K6 115.7(12) 1_656 . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.499 0.500 0.500 425 90 '1 lithium atom and 9 water molecules '
_platon_squeeze_details          
;
 Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 90 electrons
 in 425 Å³ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [90] in the void per unit cell, 
 which is attributed to one lithium atom and
 nine disordered water molecules per molecule unit.
 Therefore, some reported items that derive from the molecular formula, 
 (e.g., F(000), density, etc.) are known to be incorrect.
;


_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         3.592
_refine_diff_density_min         -2.028
_refine_diff_density_rms         0.390
#=================END


# start Validation Reply Form
_vrf_PLAT201_5                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 59 Report
RESPONSE: Due to the large structure and the existence of a large 
 amount of weight atoms, the intensity data are not very good, 
 leading to the ADP max/min ratio of many C and O atoms, 
 and it is very difficult to refine this large structure, therefore,
 in the final refinement, the W, As, lanthanoid, 
 and K atoms were refined anisotropically;
 the O and C atoms were refined isotropically.
;


_vrf_PLAT430_5                   
;
PROBLEM: Short Inter D...A Contact O5W .. O11W .. 2.13 Ang.
RESPONSE: In the crystal structure, there are a number of short connections
 between  Ow(H2O) and O(POM) in the range 2.50-2.90 Ang,
 which indicate extensive H bonding interactions among them. 
 Some shorter connections between Ow(H2O) or O(POM) result from
 the disordered water molecules.  
;


_vrf_PLAT601_5                   
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of . 361 Ang3
RESPONSE: Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 96 electrons
 in 361 \%A^3^ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [96] in the void per unit cell, 
 which is attributed to about one lithium atom and
 nine disordered water molecules per molecule unit.
 Therefore, some reported items that derive from the molecular formula, 
 (e.g., F(000), density, etc.) are known to be incorrect.
;

_vrf_PLAT043_5                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by .. 67.33 Check
RESPONSE: H atoms on the water molecules are not present in the refined
 structure but they obvioulsy must be counted.
;


_vrf_PLAT220_5                   
;
PROBLEM: Large Non-Solvent O Ueq(max)/Ueq(min) Range 7.1 Ratio
RESPONSE: In polyoxometalate(POM) compounds, the Ueq of oxygen atoms in
 the POM skeleton is small due to multiple covalent bonds,
 whereas the Ueq of these dissociative water
 oxygen atoms is biggish without the constraint of covalent bonds. 
;
_database_code_depnum_ccdc_archive 'CCDC 987824'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_5
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H86 As2 K9 Li Lu4 O123 W18'
_chemical_formula_weight         6757.49

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 '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'
W W -0.8490 6.8722 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.879(3)
_cell_length_b                   16.555(4)
_cell_length_c                   17.280(4)
_cell_angle_alpha                98.673(4)
_cell_angle_beta                 99.747(4)
_cell_angle_gamma                90.172(4)
_cell_volume                     3309.5(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5945
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      28.36

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2917
_exptl_absorpt_coefficient_mu    19.405
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0852
_exptl_absorpt_correction_T_max  0.1125
_exptl_absorpt_process_details   
;
 SADABS v.2.10 (Bruker, 2003) was used for
 absorption correction. Estimated minimum and maximum transmission: 0.2973
 and 0.7457. The Ratio of minimum to maximum transmission is 0.3987.
 The λ/2 correction factor is 0.0015.'
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17010
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.86
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11535
_reflns_number_gt                9179
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0713P)²+31.6505P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11535
_refine_ls_number_parameters     439
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_ref         0.1371
_refine_ls_wR_factor_gt          0.1269
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.49425(5) 0.33392(4) 0.63883(4) 0.01898(15) Uani 1 1 d . . .
W2 W 0.63125(5) 0.44741(4) 0.80909(4) 0.02221(16) Uani 1 1 d . . .
W3 W 0.77045(5) 0.38184(4) 0.65533(4) 0.02163(16) Uani 1 1 d . . .
W4 W 0.98704(6) 0.28717(4) 0.78539(4) 0.02662(17) Uani 1 1 d . . .
W5 W 0.85062(6) 0.34798(4) 0.94383(4) 0.02629(17) Uani 1 1 d . . .
W6 W 0.91331(6) 0.14895(4) 0.89271(4) 0.02662(17) Uani 1 1 d . . .
W7 W 0.60695(5) 0.09520(4) 0.88324(4) 0.02250(16) Uani 1 1 d . . .
W8 W 0.54221(5) 0.29230(4) 0.92091(4) 0.02243(16) Uani 1 1 d . . .
W9 W 0.41491(5) 0.17418(4) 0.74939(3) 0.01748(15) Uani 1 1 d . . .
Lu1 Lu 0.50217(5) 0.11047(4) 0.53956(3) 0.01439(15) Uani 1 1 d . . .
Lu2 Lu 0.55034(5) -0.03000(4) 0.67824(4) 0.01870(15) Uani 1 1 d . . .
As1 As 0.69999(12) 0.22131(9) 0.75019(8) 0.0151(3) Uani 1 1 d . . .
K1 K 1.0476(4) 0.0607(3) 0.6974(3) 0.0481(11) Uani 1 1 d . . .
K2 K 0.1758(4) 0.2624(3) 0.6255(3) 0.0593(13) Uani 1 1 d . . .
K3 K 1.0621(6) 0.4769(4) 1.1516(4) 0.086(2) Uani 1 1 d . . .
K4 K 0.6849(7) 0.7082(5) 0.9140(4) 0.0377(19) Uani 0.50 1 d P . .
K5 K 1.1680(7) -0.0158(6) 0.9624(5) 0.048(2) Uani 0.50 1 d PU . .
K6 K 1.3138(8) 0.4144(7) 0.8086(7) 0.068(3) Uani 0.50 1 d P . .
O1 O 0.3726(10) 0.3612(7) 0.5772(7) 0.032(3) Uiso 1 1 d . . .
O2 O 0.5303(8) 0.2397(6) 0.5855(6) 0.021(2) Uiso 1 1 d . . .
O3 O 0.5016(9) 0.4278(6) 0.7275(6) 0.024(2) Uiso 1 1 d . . .
O4 O 0.6116(9) 0.3945(6) 0.6066(6) 0.026(2) Uiso 1 1 d . . .
O5 O 0.4202(8) 0.2726(6) 0.7052(6) 0.020(2) Uiso 1 1 d . . .
O6 O 0.6610(8) 0.3213(6) 0.7311(6) 0.019(2) Uiso 1 1 d . . .
O7 O 0.6039(10) 0.5444(7) 0.8535(7) 0.032(3) Uiso 1 1 d . . .
O8 O 0.7208(9) 0.4742(6) 0.7405(6) 0.025(2) Uiso 1 1 d . . .
O9 O 0.7580(9) 0.4196(6) 0.8814(6) 0.023(2) Uiso 1 1 d . . .
O10 O 0.5461(9) 0.3815(7) 0.8666(7) 0.029(3) Uiso 1 1 d . . .
O11 O 0.8332(10) 0.4488(7) 0.6053(7) 0.035(3) Uiso 1 1 d . . .
O12 O 0.7801(8) 0.2841(6) 0.5997(6) 0.022(2) Uiso 1 1 d . . .
O13 O 0.8937(9) 0.3664(7) 0.7361(6) 0.027(3) Uiso 1 1 d . . .
O14 O 1.1224(11) 0.3242(8) 0.7830(8) 0.044(3) Uiso 1 1 d . . .
O15 O 0.9610(10) 0.2134(7) 0.7010(7) 0.035(3) Uiso 1 1 d . . .
O16 O 0.9715(9) 0.3637(7) 0.8929(7) 0.029(3) Uiso 1 1 d . . .
O17 O 1.0277(9) 0.2066(7) 0.8564(6) 0.027(2) Uiso 1 1 d . . .
O18 O 0.8204(8) 0.2496(6) 0.8264(6) 0.019(2) Uiso 1 1 d . . .
O19 O 0.8874(10) 0.4144(7) 1.0323(7) 0.035(3) Uiso 1 1 d . . .
O20 O 0.9086(9) 0.2501(6) 0.9755(6) 0.024(2) Uiso 1 1 d . . .
O21 O 0.6987(9) 0.3103(6) 0.9573(6) 0.026(2) Uiso 1 1 d . . .
O22 O 0.9957(10) 0.0934(8) 0.9546(7) 0.038(3) Uiso 1 1 d . . .
O23 O 0.8792(9) 0.0802(7) 0.8008(7) 0.029(3) Uiso 1 1 d . . .
O24 O 0.7620(9) 0.1243(6) 0.9166(6) 0.025(2) Uiso 1 1 d . . .
O25 O 0.5931(10) 0.0160(7) 0.9351(7) 0.038(3) Uiso 1 1 d . . .
O26 O 0.6554(9) 0.0411(6) 0.7863(6) 0.024(2) Uiso 1 1 d . . .
O27 O 0.5625(9) 0.1823(7) 0.9530(6) 0.027(3) Uiso 1 1 d . . .
O28 O 0.4603(9) 0.0906(6) 0.8194(6) 0.025(2) Uiso 1 1 d . . .
O29 O 0.6005(8) 0.2097(6) 0.8141(6) 0.021(2) Uiso 1 1 d . . .
O30 O 0.4835(10) 0.3367(7) 1.0009(7) 0.034(3) Uiso 1 1 d . . .
O31 O 0.2704(9) 0.1471(7) 0.7225(6) 0.027(3) Uiso 1 1 d . . .
O32 O 0.4812(8) 0.1136(6) 0.6739(6) 0.020(2) Uiso 1 1 d . . .
O33 O 0.4063(9) 0.2452(6) 0.8532(6) 0.025(2) Uiso 1 1 d . . .
O34 O 0.4338(10) 0.1348(7) 0.2474(7) 0.035(3) Uiso 1 1 d . . .
O35 O 0.3723(11) 0.2633(8) 0.2460(8) 0.045(3) Uiso 1 1 d . . .
O36 O 0.2621(9) 0.0903(7) 0.3034(6) 0.027(3) Uiso 1 1 d . . .
O37 O 0.4429(8) 0.1390(6) 0.4179(6) 0.019(2) Uiso 1 1 d . . .
O38 O 0.3158(8) 0.1525(6) 0.5262(6) 0.019(2) Uiso 1 1 d . . .
O39 O 0.1819(11) 0.2192(8) 0.4602(8) 0.044(3) Uiso 1 1 d . . .
O40 O 0.3474(8) -0.0389(6) 0.3918(6) 0.019(2) Uiso 1 1 d . . .
O41 O 0.1689(10) 0.0060(7) 0.3949(7) 0.032(3) Uiso 1 1 d . . .
O42 O 0.3181(9) -0.1498(6) 0.4835(6) 0.024(2) Uiso 1 1 d . . .
O43 O 0.4273(8) -0.0138(6) 0.5571(6) 0.017(2) Uiso 1 1 d . . .
O44 O 0.3733(9) -0.0590(7) 0.6908(7) 0.029(3) Uiso 1 1 d . . .
O45 O 0.1870(10) -0.0643(7) 0.6428(7) 0.037(3) Uiso 1 1 d . . .
C1 C 0.3690(14) 0.1937(10) 0.2686(10) 0.030(4) Uiso 1 1 d . . .
C2 C 0.2895(14) 0.1762(10) 0.3223(9) 0.025(3) Uiso 1 1 d . . .
H2 H 0.2207 0.2086 0.3151 0.030 Uiso 1 1 calc R . .
C3 C 0.3525(12) 0.1924(9) 0.4087(9) 0.019(3) Uiso 1 1 d . . .
H3 H 0.3860 0.2478 0.4177 0.023 Uiso 1 1 calc R . .
C4 C 0.2792(13) 0.1892(9) 0.4680(9) 0.020(3) Uiso 1 1 d . . .
C5 C 0.2506(12) -0.0345(9) 0.4188(9) 0.018(3) Uiso 1 1 d . . .
C6 C 0.2478(13) -0.0757(9) 0.4878(9) 0.020(3) Uiso 1 1 d . . .
H6 H 0.1692 -0.0894 0.4925 0.025 Uiso 1 1 calc R . .
C7 C 0.3079(11) -0.0209(8) 0.5624(8) 0.013(3) Uiso 1 1 d . . .
H7 H 0.2760 0.0336 0.5621 0.016 Uiso 1 1 calc R . .
C8 C 0.2854(13) -0.0509(9) 0.6378(9) 0.023(3) Uiso 1 1 d . . .
O1W O 1.0488(13) 0.0838(9) 0.5338(9) 0.062(4) Uiso 1 1 d . . .
O2W O -0.0420(18) 0.2429(13) 0.5235(13) 0.100(6) Uiso 1 1 d . . .
O3W O 0.3963(19) 0.4910(13) 0.9704(13) 0.102(7) Uiso 1 1 d . . .
O4W O 1.2495(17) 0.1886(12) 0.9377(12) 0.090(6) Uiso 1 1 d . . .
O5W O 0.6427(19) 0.1849(13) 0.2193(13) 0.068(6) Uiso 0.75 1 d P . .
O6W O 0.006(2) -0.1636(16) 0.6619(16) 0.087(8) Uiso 0.75 1 d P . .
O7W O 0.465(2) 0.1606(15) 1.0844(15) 0.121(8) Uiso 1 1 d . . .
O8W O 0.8210(18) 0.5938(13) 0.9912(13) 0.103(7) Uiso 1 1 d . . .
O9W O 1.199(3) 0.0951(18) 1.1110(18) 0.106(9) Uiso 0.75 1 d P . .
O10W O 0.776(2) 0.2013(15) 1.0981(15) 0.078(7) Uiso 0.75 1 d P . .
O11W O 0.550(3) 0.126(2) 1.109(2) 0.071(9) Uiso 0.50 1 d P . .
O12W O 0.187(3) 0.394(2) 0.453(2) 0.067(9) Uiso 0.50 1 d P . .
O13W O 0.095(3) 0.416(2) 0.620(2) 0.084(11) Uiso 0.50 1 d P . .
O14W O 0.393(3) -0.286(2) 0.580(2) 0.088(11) Uiso 0.50 1 d P . .
O15W O 1.249(3) 0.012(2) 0.833(2) 0.086(11) Uiso 0.50 1 d P . .
O16W O 1.082(3) 0.266(2) 1.111(2) 0.079(10) Uiso 0.50 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
W1 O1 1.748(12) . ?
W1 O2 1.781(10) . ?
W1 O4 1.919(11) . ?
W1 O5 1.951(10) . ?
W1 O3 2.002(10) . ?
W1 O6 2.354(10) . ?
W1 K2 3.920(6) . ?
W1 K6 3.993(11) 1_455 ?
W2 O7 1.728(11) . ?
W2 O8 1.821(10) . ?
W2 O9 1.892(11) . ?
W2 O3 1.894(11) . ?
W2 O10 1.965(11) . ?
W2 O6 2.370(10) . ?
W2 K3 3.765(6) 2_767 ?
W2 K6 3.807(9) 1_455 ?
W3 O11 1.743(12) . ?
W3 O12 1.767(10) . ?
W3 O13 1.891(11) . ?
W3 O4 1.957(11) . ?
W3 O8 2.115(10) . ?
W3 O6 2.317(10) . ?
W3 K3 3.991(6) 2_767 ?
W4 O14 1.728(13) . ?
W4 O15 1.739(12) . ?
W4 O13 1.924(11) . ?
W4 O17 1.952(11) . ?
W4 O16 2.121(11) . ?
W4 O18 2.325(9) . ?
W4 K2 3.820(5) 1_655 ?
W4 K1 3.944(4) . ?
W4 K3 3.965(7) 2_767 ?
W5 O19 1.732(12) . ?
W5 O16 1.844(11) . ?
W5 O20 1.884(11) . ?
W5 O9 1.942(10) . ?
W5 O21 1.970(11) . ?
W5 O18 2.377(10) . ?
W5 K3 3.767(7) 2_767 ?
W6 O22 1.701(13) . ?
W6 O23 1.794(11) . ?
W6 O17 1.901(11) . ?
W6 O24 1.965(10) . ?
W6 O20 2.039(10) . ?
W6 O18 2.339(10) . ?
W6 K5 3.812(8) 2_757 ?
W6 K1 4.052(4) . ?
W7 O25 1.718(12) . ?
W7 O27 1.873(11) . ?
W7 O24 1.874(11) . ?
W7 O28 1.892(11) . ?
W7 O26 1.953(10) . ?
W7 O29 2.384(10) . ?
W7 K5 3.828(8) 2_757 ?
W8 O30 1.720(11) . ?
W8 O21 1.866(11) . ?
W8 O10 1.870(11) . ?
W8 O33 1.913(11) . ?
W8 O27 1.986(11) . ?
W8 O29 2.330(10) . ?
W8 K6 3.826(12) 1_455 ?
W9 O31 1.740(11) . ?
W9 O32 1.812(10) . ?
W9 O5 1.905(10) . ?
W9 O28 1.989(11) . ?
W9 O33 2.009(10) . ?
W9 O29 2.327(10) . ?
W9 K2 3.701(5) . ?
Lu1 O2 2.171(10) . ?
Lu1 O37 2.221(10) . ?
Lu1 O38 2.307(10) . ?
Lu1 O43 2.320(10) . ?
Lu1 O42 2.345(10) 2_656 ?
Lu1 O32 2.369(10) . ?
Lu1 O40 2.392(10) 2_656 ?
Lu1 O43 2.393(9) 2_656 ?
Lu1 Lu2 3.5639(11) . ?
Lu1 Lu1 3.7035(14) 2_656 ?
Lu1 Lu2 3.7437(12) 2_656 ?
Lu2 O44 2.209(11) . ?
Lu2 O26 2.229(10) . ?
Lu2 O40 2.269(10) 2_656 ?
Lu2 O37 2.273(10) 2_656 ?
Lu2 O34 2.301(12) 2_656 ?
Lu2 O43 2.393(10) . ?
Lu2 O36 2.436(11) 2_656 ?
Lu2 O32 2.525(10) . ?
Lu2 Lu1 3.7437(12) 2_656 ?
As1 O29 1.778(10) . ?
As1 O18 1.781(10) . ?
As1 O6 1.784(10) . ?
K1 O15 2.728(13) . ?
K1 O45 2.805(13) 1_655 ?
K1 O23 2.887(12) . ?
K1 O41 2.905(13) 2_656 ?
K1 O1W 2.912(16) . ?
K1 O31 2.939(12) 1_655 ?
K1 O15W 3.24(4) . ?
K1 O17 3.415(11) . ?
K1 K2 4.108(7) 1_655 ?
K1 K5 4.914(10) . ?
K2 O13W 2.73(4) . ?
K2 O31 2.839(12) . ?
K2 O39 2.851(14) . ?
K2 O2W 2.86(2) . ?
K2 O14 2.935(14) 1_455 ?
K2 O5 2.989(11) . ?
K2 O38 3.011(11) . ?
K2 O1 3.145(13) . ?
K2 O15 3.209(13) 1_455 ?
K2 C4 3.246(15) . ?
K2 O1W 3.358(17) 1_455 ?
K3 O19 2.743(13) . ?
K3 O16 2.867(13) 2_767 ?
K3 O9 2.916(12) 2_767 ?
K3 O8 2.947(12) 2_767 ?
K3 O13 2.983(12) 2_767 ?
K3 O8W 3.11(2) 2_767 ?
K3 W2 3.765(6) 2_767 ?
K3 W5 3.767(7) 2_767 ?
K3 W4 3.965(7) 2_767 ?
K3 W3 3.991(6) 2_767 ?
K3 K4 4.457(11) 2_767 ?
K3 K6 4.937(12) 2_767 ?
K4 O7W 2.81(3) 2_667 ?
K4 O30 2.834(14) 2_667 ?
K4 O8W 2.83(2) . ?
K4 O4W 2.84(2) 2_767 ?
K4 O35 2.844(15) 2_666 ?
K4 O7 2.857(14) . ?
K4 O16W 2.92(4) 2_767 ?
K4 K3 4.457(11) 2_767 ?
K5 O15W 2.68(4) . ?
K5 O22 2.735(15) . ?
K5 O9W 2.89(3) . ?
K5 O24 2.975(13) 2_757 ?
K5 O22 2.996(15) 2_757 ?
K5 O25 3.082(16) 2_757 ?
K5 O10W 3.20(3) 2_757 ?
K5 W6 3.812(8) 2_757 ?
K5 W7 3.828(8) 2_757 ?
K5 K5 4.411(16) 2_757 ?
K6 O14 2.652(16) . ?
K6 O10 2.854(16) 1_655 ?
K6 O3 2.853(14) 1_655 ?
K6 O3W 2.89(2) 1_655 ?
K6 O5 3.133(14) 1_655 ?
K6 O33 3.165(17) 1_655 ?
K6 W2 3.807(9) 1_655 ?
K6 W8 3.826(12) 1_655 ?
K6 K2 3.854(12) 1_655 ?
K6 W1 3.993(11) 1_655 ?
K6 K3 4.937(12) 2_767 ?
O3 K6 2.853(14) 1_455 ?
O5 K6 3.133(14) 1_455 ?
O8 K3 2.947(12) 2_767 ?
O9 K3 2.916(12) 2_767 ?
O10 K6 2.854(16) 1_455 ?
O13 K3 2.983(12) 2_767 ?
O14 K2 2.935(14) 1_655 ?
O15 K2 3.209(13) 1_655 ?
O16 K3 2.867(13) 2_767 ?
O22 K5 2.996(15) 2_757 ?
O24 K5 2.975(13) 2_757 ?
O25 K5 3.082(16) 2_757 ?
O30 K4 2.834(14) 2_667 ?
O31 K1 2.939(12) 1_455 ?
O33 K6 3.165(17) 1_455 ?
O34 C1 1.292(19) . ?
O34 Lu2 2.301(12) 2_656 ?
O35 C1 1.27(2) . ?
O35 K4 2.844(15) 2_666 ?
O36 C2 1.434(18) . ?
O36 Lu2 2.436(11) 2_656 ?
O37 C3 1.396(17) . ?
O37 Lu2 2.273(10) 2_656 ?
O38 C4 1.269(18) . ?
O39 C4 1.255(19) . ?
O40 C5 1.311(17) . ?
O40 Lu2 2.269(10) 2_656 ?
O40 Lu1 2.392(10) 2_656 ?
O41 C5 1.230(18) . ?
O41 K1 2.905(12) 2_656 ?
O42 C6 1.485(17) . ?
O42 Lu1 2.345(10) 2_656 ?
O43 C7 1.443(16) . ?
O43 Lu1 2.393(9) 2_656 ?
O44 C8 1.289(18) . ?
O45 C8 1.209(18) . ?
O45 K1 2.805(13) 1_455 ?
C1 C2 1.49(2) . ?
C2 C3 1.54(2) . ?
C2 H2 0.9800 . ?
C3 C4 1.46(2) . ?
C3 H3 0.9800 . ?
C5 C6 1.47(2) . ?
C6 C7 1.525(19) . ?
C6 H6 0.9800 . ?
C7 C8 1.53(2) . ?
C7 H7 0.9800 . ?
O1W K2 3.358(17) 1_655 ?
O3W K6 2.89(2) 1_455 ?
O4W K4 2.84(2) 2_767 ?
O7W O11W 1.21(4) . ?
O7W K4 2.81(3) 2_667 ?
O8W K3 3.11(2) 2_767 ?
O10W K5 3.20(3) 2_757 ?
O16W K4 2.92(4) 2_767 ?

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
O1 W1 O2 102.7(5) . . ?
O1 W1 O4 101.2(5) . . ?
O2 W1 O4 93.1(4) . . ?
O1 W1 O5 99.0(5) . . ?
O2 W1 O5 89.1(4) . . ?
O4 W1 O5 158.7(4) . . ?
O1 W1 O3 98.4(5) . . ?
O2 W1 O3 158.8(5) . . ?
O4 W1 O3 84.5(4) . . ?
O5 W1 O3 85.8(4) . . ?
O1 W1 O6 170.1(4) . . ?
O2 W1 O6 86.5(4) . . ?
O4 W1 O6 74.4(4) . . ?
O5 W1 O6 84.5(4) . . ?
O3 W1 O6 72.5(4) . . ?
O1 W1 K2 51.5(4) . . ?
O2 W1 K2 93.0(3) . . ?
O4 W1 K2 152.7(3) . . ?
O5 W1 K2 48.0(3) . . ?
O3 W1 K2 98.8(3) . . ?
O6 W1 K2 132.5(2) . . ?
O1 W1 K6 82.4(4) . 1_455 ?
O2 W1 K6 139.2(4) . 1_455 ?
O4 W1 K6 126.1(4) . 1_455 ?
O5 W1 K6 50.4(3) . 1_455 ?
O3 W1 K6 42.4(3) . 1_455 ?
O6 W1 K6 93.0(3) . 1_455 ?
K2 W1 K6 58.29(16) . 1_455 ?
O7 W2 O8 99.4(5) . . ?
O7 W2 O9 101.6(5) . . ?
O8 W2 O9 92.8(5) . . ?
O7 W2 O3 100.4(5) . . ?
O8 W2 O3 92.1(5) . . ?
O9 W2 O3 156.3(4) . . ?
O7 W2 O10 99.9(5) . . ?
O8 W2 O10 160.7(5) . . ?
O9 W2 O10 82.9(5) . . ?
O3 W2 O10 84.8(5) . . ?
O7 W2 O6 172.0(5) . . ?
O8 W2 O6 75.4(4) . . ?
O9 W2 O6 85.0(4) . . ?
O3 W2 O6 73.9(4) . . ?
O10 W2 O6 85.4(4) . . ?
O7 W2 K3 84.8(4) . 2_767 ?
O8 W2 K3 50.0(4) . 2_767 ?
O9 W2 K3 49.5(3) . 2_767 ?
O3 W2 K3 142.0(3) . 2_767 ?
O10 W2 K3 131.8(3) . 2_767 ?
O6 W2 K3 96.2(3) . 2_767 ?
O7 W2 K6 82.0(4) . 1_455 ?
O8 W2 K6 137.3(4) . 1_455 ?
O9 W2 K6 129.0(4) . 1_455 ?
O3 W2 K6 46.4(4) . 1_455 ?
O10 W2 K6 47.0(4) . 1_455 ?
O6 W2 K6 97.5(3) . 1_455 ?
K3 W2 K6 166.0(2) 2_767 1_455 ?
O11 W3 O12 104.8(5) . . ?
O11 W3 O13 101.1(5) . . ?
O12 W3 O13 94.1(5) . . ?
O11 W3 O4 97.4(5) . . ?
O12 W3 O4 93.7(5) . . ?
O13 W3 O4 157.4(4) . . ?
O11 W3 O8 95.3(5) . . ?
O12 W3 O8 159.6(4) . . ?
O13 W3 O8 85.7(4) . . ?
O4 W3 O8 79.8(4) . . ?
O11 W3 O6 165.6(4) . . ?
O12 W3 O6 88.0(4) . . ?
O13 W3 O6 84.4(4) . . ?
O4 W3 O6 74.7(4) . . ?
O8 W3 O6 71.7(4) . . ?
O11 W3 K3 83.4(4) . 2_767 ?
O12 W3 K3 139.2(4) . 2_767 ?
O13 W3 K3 45.4(3) . 2_767 ?
O4 W3 K3 125.3(3) . 2_767 ?
O8 W3 K3 46.0(3) . 2_767 ?
O6 W3 K3 91.3(3) . 2_767 ?
O14 W4 O15 102.7(6) . . ?
O14 W4 O13 101.0(5) . . ?
O15 W4 O13 93.6(5) . . ?
O14 W4 O17 99.2(6) . . ?
O15 W4 O17 93.3(5) . . ?
O13 W4 O17 156.7(4) . . ?
O14 W4 O16 94.2(5) . . ?
O15 W4 O16 163.1(5) . . ?
O13 W4 O16 84.3(4) . . ?
O17 W4 O16 82.7(4) . . ?
O14 W4 O18 163.9(5) . . ?
O15 W4 O18 91.8(5) . . ?
O13 W4 O18 84.7(4) . . ?
O17 W4 O18 72.8(4) . . ?
O16 W4 O18 71.3(4) . . ?
O14 W4 K2 47.2(4) . 1_655 ?
O15 W4 K2 56.6(4) . 1_655 ?
O13 W4 K2 93.0(3) . 1_655 ?
O17 W4 K2 109.3(3) . 1_655 ?
O16 W4 K2 140.2(3) . 1_655 ?
O18 W4 K2 148.2(3) . 1_655 ?
O14 W4 K1 94.5(4) . . ?
O15 W4 K1 35.7(4) . . ?
O13 W4 K1 129.2(3) . . ?
O17 W4 K1 60.0(3) . . ?
O16 W4 K1 142.6(3) . . ?
O18 W4 K1 93.3(2) . . ?
K2 W4 K1 63.87(11) 1_655 . ?
O14 W4 K3 81.5(4) . 2_767 ?
O15 W4 K3 139.0(4) . 2_767 ?
O13 W4 K3 46.4(3) . 2_767 ?
O17 W4 K3 126.7(3) . 2_767 ?
O16 W4 K3 44.5(3) . 2_767 ?
O18 W4 K3 92.2(3) . 2_767 ?
K2 W4 K3 109.04(14) 1_655 2_767 ?
K1 W4 K3 172.50(12) . 2_767 ?
O19 W5 O16 101.9(5) . . ?
O19 W5 O20 100.2(5) . . ?
O16 W5 O20 92.9(5) . . ?
O19 W5 O9 99.5(5) . . ?
O16 W5 O9 90.4(5) . . ?
O20 W5 O9 158.8(4) . . ?
O19 W5 O21 99.4(5) . . ?
O16 W5 O21 158.2(5) . . ?
O20 W5 O21 87.9(4) . . ?
O9 W5 O21 81.4(4) . . ?
O19 W5 O18 173.5(5) . . ?
O16 W5 O18 74.7(4) . . ?
O20 W5 O18 74.6(4) . . ?
O9 W5 O18 86.2(4) . . ?
O21 W5 O18 84.6(4) . . ?
O19 W5 K3 85.0(4) . 2_767 ?
O16 W5 K3 47.6(4) . 2_767 ?
O20 W5 K3 140.0(3) . 2_767 ?
O9 W5 K3 49.7(3) . 2_767 ?
O21 W5 K3 130.8(3) . 2_767 ?
O18 W5 K3 96.4(3) . 2_767 ?
O22 W6 O23 104.1(6) . . ?
O22 W6 O17 100.7(5) . . ?
O23 W6 O17 93.2(5) . . ?
O22 W6 O24 99.8(5) . . ?
O23 W6 O24 89.2(5) . . ?
O17 W6 O24 158.1(5) . . ?
O22 W6 O20 96.1(5) . . ?
O23 W6 O20 159.4(5) . . ?
O17 W6 O20 86.6(4) . . ?
O24 W6 O20 83.7(4) . . ?
O22 W6 O18 167.5(5) . . ?
O23 W6 O18 87.3(4) . . ?
O17 W6 O18 73.3(4) . . ?
O24 W6 O18 85.1(4) . . ?
O20 W6 O18 72.9(4) . . ?
O22 W6 K5 49.3(4) . 2_757 ?
O23 W6 K5 100.7(4) . 2_757 ?
O17 W6 K5 149.2(4) . 2_757 ?
O24 W6 K5 50.4(3) . 2_757 ?
O20 W6 K5 89.6(3) . 2_757 ?
O18 W6 K5 134.2(3) . 2_757 ?
O22 W6 K1 95.5(4) . . ?
O23 W6 K1 39.0(4) . . ?
O17 W6 K1 57.1(3) . . ?
O24 W6 K1 128.2(3) . . ?
O20 W6 K1 143.3(3) . . ?
O18 W6 K1 90.4(2) . . ?
K5 W6 K1 123.66(15) 2_757 . ?
O25 W7 O27 100.2(5) . . ?
O25 W7 O24 101.2(5) . . ?
O27 W7 O24 92.1(5) . . ?
O25 W7 O28 100.3(5) . . ?
O27 W7 O28 90.0(5) . . ?
O24 W7 O28 157.6(5) . . ?
O25 W7 O26 103.1(5) . . ?
O27 W7 O26 156.7(5) . . ?
O24 W7 O26 84.8(4) . . ?
O28 W7 O26 84.5(4) . . ?
O25 W7 O29 172.2(5) . . ?
O27 W7 O29 74.9(4) . . ?
O24 W7 O29 85.2(4) . . ?
O28 W7 O29 73.9(4) . . ?
O26 W7 O29 81.8(4) . . ?
O25 W7 K5 51.9(4) . 2_757 ?
O27 W7 K5 96.0(4) . 2_757 ?
O24 W7 K5 49.5(4) . 2_757 ?
O28 W7 K5 152.2(4) . 2_757 ?
O26 W7 K5 99.3(3) . 2_757 ?
O29 W7 K5 133.9(3) . 2_757 ?
O30 W8 O21 102.7(5) . . ?
O30 W8 O10 100.1(5) . . ?
O21 W8 O10 88.0(5) . . ?
O30 W8 O33 99.3(5) . . ?
O21 W8 O33 157.4(4) . . ?
O10 W8 O33 93.5(5) . . ?
O30 W8 O27 97.0(5) . . ?
O21 W8 O27 86.7(5) . . ?
O10 W8 O27 162.8(4) . . ?
O33 W8 O27 85.2(5) . . ?
O30 W8 O29 168.8(5) . . ?
O21 W8 O29 84.1(4) . . ?
O10 W8 O29 88.9(4) . . ?
O33 W8 O29 73.3(4) . . ?
O27 W8 O29 74.3(4) . . ?
O30 W8 K6 82.1(4) . 1_455 ?
O21 W8 K6 133.0(4) . 1_455 ?
O10 W8 K6 45.7(4) . 1_455 ?
O33 W8 K6 55.6(4) . 1_455 ?
O27 W8 K6 139.7(4) . 1_455 ?
O29 W8 K6 99.9(3) . 1_455 ?
O31 W9 O32 104.3(5) . . ?
O31 W9 O5 101.0(5) . . ?
O32 W9 O5 94.5(4) . . ?
O31 W9 O28 98.2(5) . . ?
O32 W9 O28 88.3(4) . . ?
O5 W9 O28 159.3(4) . . ?
O31 W9 O33 97.6(5) . . ?
O32 W9 O33 157.4(4) . . ?
O5 W9 O33 86.9(4) . . ?
O28 W9 O33 82.8(4) . . ?
O31 W9 O29 167.1(4) . . ?
O32 W9 O29 85.7(4) . . ?
O5 W9 O29 86.1(4) . . ?
O28 W9 O29 73.6(4) . . ?
O33 W9 O29 71.8(4) . . ?
O31 W9 K2 47.7(4) . . ?
O32 W9 K2 101.2(3) . . ?
O5 W9 K2 53.5(3) . . ?
O28 W9 K2 145.9(3) . . ?
O33 W9 K2 97.8(3) . . ?
O29 W9 K2 139.2(3) . . ?
O2 Lu1 O37 90.6(4) . . ?
O2 Lu1 O38 79.9(4) . . ?
O37 Lu1 O38 69.5(3) . . ?
O2 Lu1 O43 146.5(3) . . ?
O37 Lu1 O43 112.1(3) . . ?
O38 Lu1 O43 85.4(3) . . ?
O2 Lu1 O42 72.1(4) . 2_656 ?
O37 Lu1 O42 83.5(4) . 2_656 ?
O38 Lu1 O42 140.7(4) . 2_656 ?
O43 Lu1 O42 132.4(3) . 2_656 ?
O2 Lu1 O32 78.6(4) . . ?
O37 Lu1 O32 151.8(3) . . ?
O38 Lu1 O32 82.9(3) . . ?
O43 Lu1 O32 69.8(3) . . ?
O42 Lu1 O32 116.8(4) 2_656 . ?
O2 Lu1 O40 107.4(4) . 2_656 ?
O37 Lu1 O40 138.8(3) . 2_656 ?
O38 Lu1 O40 148.7(3) . 2_656 ?
O43 Lu1 O40 71.9(3) . 2_656 ?
O42 Lu1 O40 68.2(4) 2_656 2_656 ?
O32 Lu1 O40 69.3(3) . 2_656 ?
O2 Lu1 O43 136.4(3) . 2_656 ?
O37 Lu1 O43 69.4(3) . 2_656 ?
O38 Lu1 O43 123.8(3) . 2_656 ?
O43 Lu1 O43 76.4(4) . 2_656 ?
O42 Lu1 O43 67.5(3) 2_656 2_656 ?
O32 Lu1 O43 134.8(3) . 2_656 ?
O40 Lu1 O43 72.2(3) 2_656 2_656 ?
O2 Lu1 Lu2 117.7(3) . . ?
O37 Lu1 Lu2 151.5(3) . . ?
O38 Lu1 Lu2 110.4(2) . . ?
O43 Lu1 Lu2 41.7(2) . . ?
O42 Lu1 Lu2 107.0(3) 2_656 . ?
O32 Lu1 Lu2 45.0(2) . . ?
O40 Lu1 Lu2 38.9(2) 2_656 . ?
O43 Lu1 Lu2 89.8(2) 2_656 . ?
O2 Lu1 Lu1 171.9(3) . 2_656 ?
O37 Lu1 Lu1 90.5(3) . 2_656 ?
O38 Lu1 Lu1 108.0(2) . 2_656 ?
O43 Lu1 Lu1 38.9(2) . 2_656 ?
O42 Lu1 Lu1 100.1(3) 2_656 2_656 ?
O32 Lu1 Lu1 103.9(2) . 2_656 ?
O40 Lu1 Lu1 66.9(2) 2_656 2_656 ?
O43 Lu1 Lu1 37.5(2) 2_656 2_656 ?
Lu2 Lu1 Lu1 61.98(2) . 2_656 ?
O2 Lu1 Lu2 122.5(3) . 2_656 ?
O37 Lu1 Lu2 34.0(3) . 2_656 ?
O38 Lu1 Lu2 88.5(2) . 2_656 ?
O43 Lu1 Lu2 86.6(2) . 2_656 ?
O42 Lu1 Lu2 84.0(3) 2_656 2_656 ?
O32 Lu1 Lu2 155.5(2) . 2_656 ?
O40 Lu1 Lu2 110.7(2) 2_656 2_656 ?
O43 Lu1 Lu2 38.5(2) 2_656 2_656 ?
Lu2 Lu1 Lu2 119.16(2) . 2_656 ?
Lu1 Lu1 Lu2 57.179(18) 2_656 2_656 ?
O44 Lu2 O26 114.7(4) . . ?
O44 Lu2 O40 142.2(4) . 2_656 ?
O26 Lu2 O40 86.0(4) . 2_656 ?
O44 Lu2 O37 93.8(4) . 2_656 ?
O26 Lu2 O37 142.0(4) . 2_656 ?
O40 Lu2 O37 85.9(3) 2_656 2_656 ?
O44 Lu2 O34 75.1(4) . 2_656 ?
O26 Lu2 O34 84.1(4) . 2_656 ?
O40 Lu2 O34 141.1(4) 2_656 2_656 ?
O37 Lu2 O34 79.4(4) 2_656 2_656 ?
O44 Lu2 O43 72.0(4) . . ?
O26 Lu2 O43 142.2(4) . . ?
O40 Lu2 O43 72.8(3) 2_656 . ?
O37 Lu2 O43 68.6(3) 2_656 . ?
O34 Lu2 O43 131.6(4) 2_656 . ?
O44 Lu2 O36 138.9(4) . 2_656 ?
O26 Lu2 O36 72.3(4) . 2_656 ?
O40 Lu2 O36 76.0(4) 2_656 2_656 ?
O37 Lu2 O36 69.7(4) 2_656 2_656 ?
O34 Lu2 O36 65.2(4) 2_656 2_656 ?
O43 Lu2 O36 128.8(3) . 2_656 ?
O44 Lu2 O32 84.8(4) . . ?
O26 Lu2 O32 77.2(4) . . ?
O40 Lu2 O32 68.6(3) 2_656 . ?
O37 Lu2 O32 132.7(3) 2_656 . ?
O34 Lu2 O32 143.7(4) 2_656 . ?
O43 Lu2 O32 66.1(3) . . ?
O36 Lu2 O32 134.3(3) 2_656 . ?
O44 Lu2 Lu1 101.0(3) . . ?
O26 Lu2 Lu1 104.6(3) . . ?
O40 Lu2 Lu1 41.4(3) 2_656 . ?
O37 Lu2 Lu1 93.3(3) 2_656 . ?
O34 Lu2 Lu1 171.3(3) 2_656 . ?
O43 Lu2 Lu1 40.1(2) . . ?
O36 Lu2 Lu1 116.8(3) 2_656 . ?
O32 Lu2 Lu1 41.6(2) . . ?
O44 Lu2 Lu1 92.9(3) . 2_656 ?
O26 Lu2 Lu1 151.5(3) . 2_656 ?
O40 Lu2 Lu1 66.9(2) 2_656 2_656 ?
O37 Lu2 Lu1 33.2(3) 2_656 2_656 ?
O34 Lu2 Lu1 111.2(3) 2_656 2_656 ?
O43 Lu2 Lu1 38.5(2) . 2_656 ?
O36 Lu2 Lu1 91.9(3) 2_656 2_656 ?
O32 Lu2 Lu1 99.6(2) . 2_656 ?
Lu1 Lu2 Lu1 60.84(2) . 2_656 ?
O29 As1 O18 96.7(5) . . ?
O29 As1 O6 97.1(5) . . ?
O18 As1 O6 98.1(5) . . ?
O15 K1 O45 152.9(4) . 1_655 ?
O15 K1 O23 70.4(3) . . ?
O45 K1 O23 136.7(4) 1_655 . ?
O15 K1 O41 89.0(4) . 2_656 ?
O45 K1 O41 97.7(4) 1_655 2_656 ?
O23 K1 O41 72.3(3) . 2_656 ?
O15 K1 O1W 80.1(4) . . ?
O45 K1 O1W 76.8(4) 1_655 . ?
O23 K1 O1W 134.4(4) . . ?
O41 K1 O1W 73.2(4) 2_656 . ?
O15 K1 O31 84.5(3) . 1_655 ?
O45 K1 O31 78.4(3) 1_655 1_655 ?
O23 K1 O31 127.0(3) . 1_655 ?
O41 K1 O31 154.9(4) 2_656 1_655 ?
O1W K1 O31 81.9(4) . 1_655 ?
O15 K1 O15W 123.4(7) . . ?
O45 K1 O15W 65.5(7) 1_655 . ?
O23 K1 O15W 94.3(7) . . ?
O41 K1 O15W 139.3(7) 2_656 . ?
O1W K1 O15W 131.2(7) . . ?
O31 K1 O15W 61.7(7) 1_655 . ?
O15 K1 O17 50.4(3) . . ?
O45 K1 O17 142.5(4) 1_655 . ?
O23 K1 O17 49.6(3) . . ?
O41 K1 O17 115.4(3) 2_656 . ?
O1W K1 O17 127.8(4) . . ?
O31 K1 O17 78.3(3) 1_655 . ?
O15W K1 O17 77.7(7) . . ?
O15 K1 W4 21.8(3) . . ?
O45 K1 W4 153.9(3) 1_655 . ?
O23 K1 W4 63.7(2) . . ?
O41 K1 W4 105.5(3) 2_656 . ?
O1W K1 W4 98.6(3) . . ?
O31 K1 W4 75.6(2) 1_655 . ?
O15W K1 W4 102.1(7) . . ?
O17 K1 W4 29.67(19) . . ?
O15 K1 W6 63.9(3) . . ?
O45 K1 W6 140.8(3) 1_655 . ?
O23 K1 W6 23.0(2) . . ?
O41 K1 W6 94.6(2) 2_656 . ?
O1W K1 W6 142.4(3) . . ?
O31 K1 W6 104.1(2) 1_655 . ?
O15W K1 W6 81.1(7) . . ?
O17 K1 W6 27.86(18) . . ?
W4 K1 W6 49.60(5) . . ?
O15 K1 K2 51.3(3) . 1_655 ?
O45 K1 K2 102.7(3) 1_655 1_655 ?
O23 K1 K2 119.8(3) . 1_655 ?
O41 K1 K2 115.4(3) 2_656 1_655 ?
O1W K1 K2 54.0(3) . 1_655 ?
O31 K1 K2 43.7(2) 1_655 1_655 ?
O15W K1 K2 104.7(7) . 1_655 ?
O17 K1 K2 79.3(2) . 1_655 ?
W4 K1 K2 56.59(9) . 1_655 ?
W6 K1 K2 105.20(12) . 1_655 ?
O15 K1 K5 113.6(3) . . ?
O45 K1 K5 86.4(3) 1_655 . ?
O23 K1 K5 64.4(3) . . ?
O41 K1 K5 118.2(3) 2_656 . ?
O1W K1 K5 161.1(3) . . ?
O31 K1 K5 86.4(3) 1_655 . ?
O15W K1 K5 30.5(7) . . ?
O17 K1 K5 63.3(2) . . ?
W4 K1 K5 92.80(14) . . ?
W6 K1 K5 55.22(11) . . ?
K2 K1 K5 123.60(18) 1_655 . ?
O13W K2 O31 147.0(9) . . ?
O13W K2 O39 97.2(9) . . ?
O31 K2 O39 115.3(4) . . ?
O13W K2 O2W 73.7(9) . . ?
O31 K2 O2W 124.6(5) . . ?
O39 K2 O2W 64.5(5) . . ?
O13W K2 O14 73.0(8) . 1_455 ?
O31 K2 O14 75.6(4) . 1_455 ?
O39 K2 O14 167.3(4) . 1_455 ?
O2W K2 O14 104.3(5) . 1_455 ?
O13W K2 O5 109.8(9) . . ?
O31 K2 O5 57.7(3) . . ?
O39 K2 O5 105.2(4) . . ?
O2W K2 O5 169.6(5) . . ?
O14 K2 O5 86.1(3) 1_455 . ?
O13W K2 O38 133.7(8) . . ?
O31 K2 O38 74.3(3) . . ?
O39 K2 O38 43.9(3) . . ?
O2W K2 O38 100.2(5) . . ?
O14 K2 O38 148.5(4) 1_455 . ?
O5 K2 O38 70.2(3) . . ?
O13W K2 O1 74.8(8) . . ?
O31 K2 O1 110.0(3) . . ?
O39 K2 O1 69.5(4) . . ?
O2W K2 O1 119.0(5) . . ?
O14 K2 O1 114.3(4) 1_455 . ?
O5 K2 O1 54.6(3) . . ?
O38 K2 O1 68.6(3) . . ?
O13W K2 O15 90.6(8) . 1_455 ?
O31 K2 O15 77.9(3) . 1_455 ?
O39 K2 O15 121.6(4) . 1_455 ?
O2W K2 O15 62.7(5) . 1_455 ?
O14 K2 O15 52.0(3) 1_455 1_455 ?
O5 K2 O15 126.1(3) . 1_455 ?
O38 K2 O15 128.2(3) . 1_455 ?
O1 K2 O15 163.2(3) . 1_455 ?
O13W K2 C4 112.5(8) . . ?
O31 K2 C4 97.3(4) . . ?
O39 K2 C4 22.6(4) . . ?
O2W K2 C4 85.6(5) . . ?
O14 K2 C4 169.9(4) 1_455 . ?
O5 K2 C4 84.1(3) . . ?
O38 K2 C4 23.0(3) . . ?
O1 K2 C4 61.1(3) . . ?
O15 K2 C4 134.1(4) 1_455 . ?
O13W K2 O1W 127.9(9) . 1_455 ?
O31 K2 O1W 75.9(4) . 1_455 ?
O39 K2 O1W 62.8(4) . 1_455 ?
O2W K2 O1W 54.2(5) . 1_455 ?
O14 K2 O1W 116.5(4) 1_455 1_455 ?
O5 K2 O1W 121.5(4) . 1_455 ?
O38 K2 O1W 64.2(3) . 1_455 ?
O1 K2 O1W 128.5(4) . 1_455 ?
O15 K2 O1W 67.1(4) 1_455 1_455 ?
C4 K2 O1W 67.4(4) . 1_455 ?
O13W K2 W9 134.8(8) . . ?
O31 K2 W9 27.0(2) . . ?
O39 K2 W9 111.7(3) . . ?
O2W K2 W9 149.9(5) . . ?
O14 K2 W9 80.9(3) 1_455 . ?
O5 K2 W9 30.8(2) . . ?
O38 K2 W9 68.0(2) . . ?
O1 K2 W9 83.6(2) . . ?
O15 K2 W9 101.8(3) 1_455 . ?
C4 K2 W9 89.5(3) . . ?
O1W K2 W9 96.6(3) 1_455 . ?
O19 K3 O16 90.1(4) . 2_767 ?
O19 K3 O9 120.2(4) . 2_767 ?
O16 K3 O9 55.4(3) 2_767 2_767 ?
O19 K3 O8 168.6(4) . 2_767 ?
O16 K3 O8 93.6(3) 2_767 2_767 ?
O9 K3 O8 54.6(3) 2_767 2_767 ?
O19 K3 O13 135.0(4) . 2_767 ?
O16 K3 O13 55.3(3) 2_767 2_767 ?
O9 K3 O13 66.2(3) 2_767 2_767 ?
O8 K3 O13 54.8(3) 2_767 2_767 ?
O19 K3 O8W 74.5(5) . 2_767 ?
O16 K3 O8W 95.8(5) 2_767 2_767 ?
O9 K3 O8W 64.4(5) 2_767 2_767 ?
O8 K3 O8W 94.3(5) 2_767 2_767 ?
O13 K3 O8W 130.6(5) 2_767 2_767 ?
O19 K3 W2 142.9(3) . 2_767 ?
O16 K3 W2 81.0(3) 2_767 2_767 ?
O9 K3 W2 29.6(2) 2_767 2_767 ?
O8 K3 W2 28.3(2) 2_767 2_767 ?
O13 K3 W2 66.1(2) 2_767 2_767 ?
O8W K3 W2 70.7(4) 2_767 2_767 ?
O19 K3 W5 97.3(3) . 2_767 ?
O16 K3 W5 28.3(2) 2_767 2_767 ?
O9 K3 W5 30.5(2) 2_767 2_767 ?
O8 K3 W5 81.2(2) 2_767 2_767 ?
O13 K3 W5 66.7(2) 2_767 2_767 ?
O8W K3 W5 71.6(4) 2_767 2_767 ?
W2 K3 W5 59.68(10) 2_767 2_767 ?
O19 K3 W4 108.7(3) . 2_767 ?
O16 K3 W4 31.2(2) 2_767 2_767 ?
O9 K3 W4 67.6(2) 2_767 2_767 ?
O8 K3 W4 79.5(2) 2_767 2_767 ?
O13 K3 W4 27.8(2) 2_767 2_767 ?
O8W K3 W4 124.3(4) 2_767 2_767 ?
W2 K3 W4 81.32(11) 2_767 2_767 ?
W5 K3 W4 52.71(9) 2_767 2_767 ?
O19 K3 W3 160.1(4) . 2_767 ?
O16 K3 W3 78.8(3) 2_767 2_767 ?
O9 K3 W3 66.4(2) 2_767 2_767 ?
O8 K3 W3 31.1(2) 2_767 2_767 ?
O13 K3 W3 26.8(2) 2_767 2_767 ?
O8W K3 W3 122.7(4) 2_767 2_767 ?
W2 K3 W3 52.00(7) 2_767 2_767 ?
W5 K3 W3 80.80(11) 2_767 2_767 ?
W4 K3 W3 54.46(8) 2_767 2_767 ?
O19 K3 K4 95.7(3) . 2_767 ?
O16 K3 K4 128.9(3) 2_767 2_767 ?
O9 K3 K4 78.7(3) 2_767 2_767 ?
O8 K3 K4 73.6(3) 2_767 2_767 ?
O13 K3 K4 127.7(3) 2_767 2_767 ?
O8W K3 K4 39.1(4) 2_767 2_767 ?
W2 K3 K4 64.44(15) 2_767 2_767 ?
W5 K3 K4 100.80(19) 2_767 2_767 ?
W4 K3 K4 145.09(19) 2_767 2_767 ?
W3 K3 K4 104.14(17) 2_767 2_767 ?
O19 K3 K6 66.8(3) . 2_767 ?
O16 K3 K6 67.4(3) 2_767 2_767 ?
O9 K3 K6 121.6(3) 2_767 2_767 ?
O8 K3 K6 124.6(3) 2_767 2_767 ?
O13 K3 K6 73.0(3) 2_767 2_767 ?
O8W K3 K6 137.1(5) 2_767 2_767 ?
W2 K3 K6 137.8(2) 2_767 2_767 ?
W5 K3 K6 95.3(2) 2_767 2_767 ?
W4 K3 K6 57.11(16) 2_767 2_767 ?
W3 K3 K6 93.54(18) 2_767 2_767 ?
K4 K3 K6 157.7(2) 2_767 2_767 ?
O7W K4 O30 75.7(6) 2_667 2_667 ?
O7W K4 O8W 151.6(7) 2_667 . ?
O30 K4 O8W 84.7(5) 2_667 . ?
O7W K4 O4W 73.1(7) 2_667 2_767 ?
O30 K4 O4W 79.0(5) 2_667 2_767 ?
O8W K4 O4W 83.2(6) . 2_767 ?
O7W K4 O35 73.7(6) 2_667 2_666 ?
O30 K4 O35 121.7(5) 2_667 2_666 ?
O8W K4 O35 134.6(6) . 2_666 ?
O4W K4 O35 134.0(6) 2_767 2_666 ?
O7W K4 O7 121.4(6) 2_667 . ?
O30 K4 O7 70.1(4) 2_667 . ?
O8W K4 O7 68.7(5) . . ?
O4W K4 O7 139.5(5) 2_767 . ?
O35 K4 O7 85.5(4) 2_666 . ?
O7W K4 O16W 119.3(9) 2_667 2_767 ?
O30 K4 O16W 154.7(8) 2_667 2_767 ?
O8W K4 O16W 73.2(9) . 2_767 ?
O4W K4 O16W 86.0(9) 2_767 2_767 ?
O35 K4 O16W 83.3(8) 2_666 2_767 ?
O7 K4 O16W 111.5(8) . 2_767 ?
O7W K4 K3 163.9(6) 2_667 2_767 ?
O30 K4 K3 118.3(4) 2_667 2_767 ?
O8W K4 K3 43.9(5) . 2_767 ?
O4W K4 K3 115.6(5) 2_767 2_767 ?
O35 K4 K3 91.3(3) 2_666 2_767 ?
O7 K4 K3 61.8(3) . 2_767 ?
O16W K4 K3 51.2(7) 2_767 2_767 ?
O15W K5 O22 97.6(9) . . ?
O15W K5 O9W 124.4(11) . . ?
O22 K5 O9W 71.9(7) . . ?
O15W K5 O24 133.5(9) . 2_757 ?
O22 K5 O24 128.9(4) . 2_757 ?
O9W K5 O24 76.5(7) . 2_757 ?
O15W K5 O22 153.3(10) . 2_757 ?
O22 K5 O22 79.4(4) . 2_757 ?
O9W K5 O22 80.2(6) . 2_757 ?
O24 K5 O22 56.1(3) 2_757 2_757 ?
O15W K5 O25 94.0(9) . 2_757 ?
O22 K5 O25 134.2(5) . 2_757 ?
O9W K5 O25 65.1(7) . 2_757 ?
O24 K5 O25 54.6(3) 2_757 2_757 ?
O22 K5 O25 107.1(4) 2_757 2_757 ?
O15W K5 O10W 83.2(9) . 2_757 ?
O22 K5 O10W 142.3(6) . 2_757 ?
O9W K5 O10W 137.5(8) . 2_757 ?
O24 K5 O10W 61.8(5) 2_757 2_757 ?
O22 K5 O10W 83.5(5) 2_757 2_757 ?
O25 K5 O10W 83.0(5) 2_757 2_757 ?
O15W K5 W6 154.7(9) . 2_757 ?
O22 K5 W6 102.4(3) . 2_757 ?
O9W K5 W6 77.1(6) . 2_757 ?
O24 K5 W6 30.6(2) 2_757 2_757 ?
O22 K5 W6 25.5(3) 2_757 2_757 ?
O25 K5 W6 83.2(3) 2_757 2_757 ?
O10W K5 W6 71.5(5) 2_757 2_757 ?
O15W K5 W7 113.3(9) . 2_757 ?
O22 K5 W7 139.8(4) . 2_757 ?
O9W K5 W7 69.6(6) . 2_757 ?
O24 K5 W7 28.6(2) 2_757 2_757 ?
O22 K5 W7 83.2(3) 2_757 2_757 ?
O25 K5 W7 26.0(2) 2_757 2_757 ?
O10W K5 W7 69.7(5) 2_757 2_757 ?
W6 K5 W7 58.18(12) 2_757 2_757 ?
O15W K5 K5 133.5(9) . 2_757 ?
O22 K5 K5 41.9(3) . 2_757 ?
O9W K5 K5 72.0(6) . 2_757 ?
O24 K5 K5 90.6(3) 2_757 2_757 ?
O22 K5 K5 37.5(3) 2_757 2_757 ?
O25 K5 K5 129.2(4) 2_757 2_757 ?
O10W K5 K5 114.4(6) 2_757 2_757 ?
W6 K5 K5 61.31(19) 2_757 2_757 ?
W7 K5 K5 113.2(3) 2_757 2_757 ?
O15W K5 K1 37.8(9) . . ?
O22 K5 K1 65.8(3) . . ?
O9W K5 K1 125.6(6) . . ?
O24 K5 K1 157.9(4) 2_757 . ?
O22 K5 K1 121.7(4) 2_757 . ?
O25 K5 K1 130.8(3) 2_757 . ?
O10W K5 K1 96.3(5) 2_757 . ?
W6 K5 K1 143.3(3) 2_757 . ?
W7 K5 K1 150.8(2) 2_757 . ?
K5 K5 K1 95.9(2) 2_757 . ?
O14 K6 O10 132.5(6) . 1_655 ?
O14 K6 O3 136.0(5) . 1_655 ?
O10 K6 O3 54.3(4) 1_655 1_655 ?
O14 K6 O3W 117.0(6) . 1_655 ?
O10 K6 O3W 65.9(5) 1_655 1_655 ?
O3 K6 O3W 104.8(6) 1_655 1_655 ?
O14 K6 O5 88.2(4) . 1_655 ?
O10 K6 O5 64.7(4) 1_655 1_655 ?
O3 K6 O5 53.2(3) 1_655 1_655 ?
O3W K6 O5 129.0(6) 1_655 1_655 ?
O14 K6 O33 78.4(5) . 1_655 ?
O10 K6 O33 54.2(4) 1_655 1_655 ?
O3 K6 O33 89.3(4) 1_655 1_655 ?
O3W K6 O33 89.6(6) 1_655 1_655 ?
O5 K6 O33 50.6(3) 1_655 1_655 ?
O14 K6 W2 153.7(5) . 1_655 ?
O10 K6 W2 30.2(2) 1_655 1_655 ?
O3 K6 W2 28.8(2) 1_655 1_655 ?
O3W K6 W2 77.6(5) 1_655 1_655 ?
O5 K6 W2 66.4(3) 1_655 1_655 ?
O33 K6 W2 80.0(3) 1_655 1_655 ?
O14 K6 W8 105.8(5) . 1_655 ?
O10 K6 W8 28.0(3) 1_655 1_655 ?
O3 K6 W8 77.8(3) 1_655 1_655 ?
O3W K6 W8 66.7(5) 1_655 1_655 ?
O5 K6 W8 63.9(3) 1_655 1_655 ?
O33 K6 W8 29.9(2) 1_655 1_655 ?
W2 K6 W8 57.82(15) 1_655 1_655 ?
O14 K6 K2 49.5(3) . 1_655 ?
O10 K6 K2 113.8(4) 1_655 1_655 ?
O3 K6 K2 86.8(3) 1_655 1_655 ?
O3W K6 K2 162.9(6) 1_655 1_655 ?
O5 K6 K2 49.3(2) 1_655 1_655 ?
O33 K6 K2 77.9(3) 1_655 1_655 ?
W2 K6 K2 111.0(3) 1_655 1_655 ?
W8 K6 K2 104.7(3) 1_655 1_655 ?
O14 K6 W1 108.2(4) . 1_655 ?
O10 K6 W1 65.8(3) 1_655 1_655 ?
O3 K6 W1 28.2(2) 1_655 1_655 ?
O3W K6 W1 128.5(5) 1_655 1_655 ?
O5 K6 W1 28.7(2) 1_655 1_655 ?
O33 K6 W1 76.1(3) 1_655 1_655 ?
W2 K6 W1 51.54(13) 1_655 1_655 ?
W8 K6 W1 78.8(2) 1_655 1_655 ?
K2 K6 W1 59.90(18) 1_655 1_655 ?
O14 K6 K3 55.8(3) . 2_767 ?
O10 K6 K3 151.7(4) 1_655 2_767 ?
O3 K6 K3 144.7(5) 1_655 2_767 ?
O3W K6 K3 86.2(5) 1_655 2_767 ?
O5 K6 K3 140.3(3) 1_655 2_767 ?
O33 K6 K3 124.8(3) 1_655 2_767 ?
W2 K6 K3 150.5(3) 1_655 2_767 ?
W8 K6 K3 136.2(3) 1_655 2_767 ?
K2 K6 K3 91.5(2) 1_655 2_767 ?
W1 K6 K3 142.1(3) 1_655 2_767 ?
W1 O1 K2 102.7(5) . . ?
W1 O2 Lu1 153.1(6) . . ?
W2 O3 W1 121.2(5) . . ?
W2 O3 K6 104.8(5) . 1_455 ?
W1 O3 K6 109.4(5) . 1_455 ?
W1 O4 W3 118.3(6) . . ?
W9 O5 W1 146.6(5) . . ?
W9 O5 K2 95.7(4) . . ?
W1 O5 K2 103.0(4) . . ?
W9 O5 K6 109.9(5) . 1_455 ?
W1 O5 K6 100.9(4) . 1_455 ?
K2 O5 K6 78.0(3) . 1_455 ?
As1 O6 W3 116.3(5) . . ?
As1 O6 W1 118.0(5) . . ?
W3 O6 W1 90.9(3) . . ?
As1 O6 W2 135.8(5) . . ?
W3 O6 W2 93.2(3) . . ?
W1 O6 W2 91.9(3) . . ?
W2 O7 K4 148.4(6) . . ?
W2 O8 W3 119.7(5) . . ?
W2 O8 K3 101.7(4) . 2_767 ?
W3 O8 K3 102.8(4) . 2_767 ?
W2 O9 W5 155.6(6) . . ?
W2 O9 K3 100.9(4) . 2_767 ?
W5 O9 K3 99.7(4) . 2_767 ?
W8 O10 W2 148.4(6) . . ?
W8 O10 K6 106.3(5) . 1_455 ?
W2 O10 K6 102.8(5) . 1_455 ?
W3 O13 W4 145.3(6) . . ?
W3 O13 K3 107.8(5) . 2_767 ?
W4 O13 K3 105.8(5) . 2_767 ?
W4 O14 K6 164.0(7) . . ?
W4 O14 K2 107.2(6) . 1_655 ?
K6 O14 K2 87.1(5) . 1_655 ?
W4 O15 K1 122.5(6) . . ?
W4 O15 K2 96.5(5) . 1_655 ?
K1 O15 K2 87.2(3) . 1_655 ?
W5 O16 W4 120.0(6) . . ?
W5 O16 K3 104.1(5) . 2_767 ?
W4 O16 K3 104.3(4) . 2_767 ?
W6 O17 W4 121.1(6) . . ?
W6 O17 K1 95.1(4) . . ?
W4 O17 K1 90.4(4) . . ?
As1 O18 W4 116.4(5) . . ?
As1 O18 W6 119.3(5) . . ?
W4 O18 W6 92.0(3) . . ?
As1 O18 W5 133.3(5) . . ?
W4 O18 W5 93.9(3) . . ?
W6 O18 W5 92.2(3) . . ?
W5 O19 K3 145.5(6) . . ?
W5 O20 W6 120.0(5) . . ?
W8 O21 W5 151.2(6) . . ?
W6 O22 K5 143.5(6) . . ?
W6 O22 K5 105.2(5) . 2_757 ?
K5 O22 K5 100.6(4) . 2_757 ?
W6 O23 K1 118.0(5) . . ?
W7 O24 W6 150.8(6) . . ?
W7 O24 K5 101.9(5) . 2_757 ?
W6 O24 K5 99.0(4) . 2_757 ?
W7 O25 K5 102.0(5) . 2_757 ?
W7 O26 Lu2 129.0(5) . . ?
W7 O27 W8 120.3(6) . . ?
W7 O28 W9 120.9(5) . . ?
As1 O29 W9 114.8(5) . . ?
As1 O29 W8 134.9(5) . . ?
W9 O29 W8 94.1(4) . . ?
As1 O29 W7 120.6(5) . . ?
W9 O29 W7 91.6(3) . . ?
W8 O29 W7 90.5(3) . . ?
W8 O30 K4 136.2(6) . 2_667 ?
W9 O31 K2 105.3(5) . . ?
W9 O31 K1 163.8(6) . 1_455 ?
K2 O31 K1 90.6(3) . 1_455 ?
W9 O32 Lu1 139.8(5) . . ?
W9 O32 Lu2 125.5(5) . . ?
Lu1 O32 Lu2 93.4(3) . . ?
W8 O33 W9 120.6(5) . . ?
W8 O33 K6 94.5(4) . 1_455 ?
W9 O33 K6 105.8(5) . 1_455 ?
C1 O34 Lu2 116.1(10) . 2_656 ?
C1 O35 K4 125.0(11) . 2_666 ?
C2 O36 Lu2 102.5(8) . 2_656 ?
C3 O37 Lu1 116.9(8) . . ?
C3 O37 Lu2 119.1(8) . 2_656 ?
Lu1 O37 Lu2 112.8(4) . 2_656 ?
C4 O38 Lu1 117.5(9) . . ?
C4 O38 K2 89.0(8) . . ?
Lu1 O38 K2 136.4(4) . . ?
C4 O39 K2 96.7(10) . . ?
C5 O40 Lu2 139.9(9) . 2_656 ?
C5 O40 Lu1 117.2(9) . 2_656 ?
Lu2 O40 Lu1 99.7(4) 2_656 2_656 ?
C5 O41 K1 125.4(10) . 2_656 ?
C6 O42 Lu1 107.3(8) . 2_656 ?
C7 O43 Lu1 119.4(8) . . ?
C7 O43 Lu2 112.6(7) . . ?
Lu1 O43 Lu2 98.2(4) . . ?
C7 O43 Lu1 117.3(7) . 2_656 ?
Lu1 O43 Lu1 103.6(4) . 2_656 ?
Lu2 O43 Lu1 102.9(4) . 2_656 ?
C8 O44 Lu2 123.5(10) . . ?
C8 O45 K1 121.7(10) . 1_455 ?
O35 C1 O34 122.9(15) . . ?
O35 C1 C2 121.0(15) . . ?
O34 C1 C2 116.1(15) . . ?
O36 C2 C1 106.3(13) . . ?
O36 C2 C3 107.2(12) . . ?
C1 C2 C3 109.2(13) . . ?
O36 C2 H2 111.3 . . ?
C1 C2 H2 111.3 . . ?
C3 C2 H2 111.3 . . ?
O37 C3 C4 111.6(12) . . ?
O37 C3 C2 109.3(12) . . ?
C4 C3 C2 114.4(13) . . ?
O37 C3 H3 107.1 . . ?
C4 C3 H3 107.1 . . ?
C2 C3 H3 107.1 . . ?
O39 C4 O38 121.1(14) . . ?
O39 C4 C3 121.2(14) . . ?
O38 C4 C3 117.7(13) . . ?
O39 C4 K2 60.7(8) . . ?
O38 C4 K2 68.0(8) . . ?
C3 C4 K2 153.7(10) . . ?
O41 C5 O40 125.2(14) . . ?
O41 C5 C6 119.6(13) . . ?
O40 C5 C6 115.0(13) . . ?
C5 C6 O42 110.6(11) . . ?
C5 C6 C7 109.0(12) . . ?
O42 C6 C7 103.7(11) . . ?
C5 C6 H6 111.1 . . ?
O42 C6 H6 111.1 . . ?
C7 C6 H6 111.1 . . ?
O43 C7 C6 108.2(10) . . ?
O43 C7 C8 114.2(11) . . ?
C6 C7 C8 111.7(12) . . ?
O43 C7 H7 107.5 . . ?
C6 C7 H7 107.5 . . ?
C8 C7 H7 107.5 . . ?
O45 C8 O44 125.9(15) . . ?
O45 C8 C7 117.2(14) . . ?
O44 C8 C7 116.9(13) . . ?
K1 O1W K2 81.5(4) . 1_655 ?
O11W O7W K4 154(2) . 2_667 ?
K4 O8W K3 97.0(7) . 2_767 ?
K5 O15W K1 111.7(13) . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.118 0.500 0.500 361 96 '1 lithium atom and 9 water molecules '
_platon_squeeze_details          
;
 Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 96 electrons
 in 361 Å³ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [96] in the void per unit cell, 
 which is attributed to about one lithium atom and
 nine disordered water molecules per molecule unit.
 Therefore, some reported items that derive from the molecular formula, 
 (e.g., F(000), density, etc.) are known to be incorrect.
;


_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         3.749
_refine_diff_density_min         -2.542
_refine_diff_density_rms         0.396
_database_code_depnum_ccdc_archive 'CCDC 987825'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_6


# start Validation Reply Form
_vrf_PLAT201_6                   
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) ....... 58 Report
RESPONSE: Due to the large structure and the existence of a large 
 amount of weight atoms, the intensity data are not very good, 
 leading to the ADP max/min ratio of many C and O atoms, 
 and it is very difficult to refine this large structure, therefore,
 in the final refinement, the W, As, lanthanoid, 
 and K atoms were refined anisotropically;
 the O and C atoms were refined isotropically.
;


_vrf_PLAT430_6                   
;
PROBLEM: Short Inter D...A Contact O3W .. O3W .. 1.98 Ang.
RESPONSE: In the crystal structure, there are a number of short connections
 between  Ow(H2O) and O(POM) in the range 2.50-2.90 Ang,
 which indicate extensive H bonding interactions among them. 
 Some shorter connections between Ow(H2O) or O(POM) result from
 the disordered water molecules.  
;


_vrf_PLAT601_6                   
;
PROBLEM: Structure Contains Solvent Accessible VOIDS of . 437 Ang3
RESPONSE: Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 122 electrons
 in 437 \%A^3^ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [122] in the void per unit cell, 
 which is attributed to about one lithium atom and
 twelve disordered water molecules per molecule unit.
 Therefore, some reported items that derive from the molecular formula, 
 (e.g., F(000), density, etc.) are known to be incorrect.
;

_vrf_PLAT043_6                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by .. 67.34 Check
RESPONSE: H atoms on the water molecules are not present in the refined
 structure but they obvioulsy must be counted.
;


_vrf_PLAT220_6                   
;
PROBLEM: Large Non-Solvent O Ueq(max)/Ueq(min) Range 6.7 Ratio
RESPONSE: In polyoxometalate(POM) compounds, the Ueq of oxygen atoms in
 the POM skeleton is small due to multiple covalent bonds,
 whereas the Ueq of these dissociative water
 oxygen atoms is biggish without the constraint of covalent bonds. 
;



_vrf_PLAT342_6                   
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.0267 Ang.
RESPONSE: The alert derives from shading of reciprocal space by the pressure
 cell, and it is unavoidable in high pressure crystal structure determinations.
;


_vrf_PLAT306_6                   
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) ....... O7W Check
RESPONSE: The hydrogen atoms of the water molecules could not be directly 
 located from the difference Fourier maps because of the presence of too many
 heavy atoms in the structures.
;

# end Validation Reply Form


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H92 As2 K9 Li O126 W18 Y4'
_chemical_formula_weight         6467.29

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'
As As 0.0499 2.0058 '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'
O O 0.0106 0.0060 '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'
K K 0.2009 0.2494 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9045(12)
_cell_length_b                   16.6180(17)
_cell_length_c                   17.4108(17)
_cell_angle_alpha                98.786(2)
_cell_angle_beta                 99.420(2)
_cell_angle_gamma                90.080(2)
_cell_volume                     3356.8(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4648
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.71

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.086
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2789
_exptl_absorpt_coefficient_mu    17.928
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0855
_exptl_absorpt_correction_T_max  0.1168
_exptl_absorpt_process_details   
;
 SADABS v.2.10 (Bruker, 2003) was used for
 absorption correction. Estimated minimum and maximum transmission: 0.3367
 and 0.7457. The Ratio of minimum to maximum transmission is 0.4515.
 The λ/2 correction factor is 0.0015.'
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17081
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0783
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11708
_reflns_number_gt                8345
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0877P)²+30.0506P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11708
_refine_ls_number_parameters     433
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1669
_refine_ls_wR_factor_gt          0.1484
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.49694(6) 0.33524(4) 0.64033(4) 0.02234(19) Uani 1 1 d . . .
W2 W 0.63174(6) 0.44703(4) 0.81040(5) 0.0256(2) Uani 1 1 d . . .
W3 W 0.77263(7) 0.38240(4) 0.65736(5) 0.02530(19) Uani 1 1 d . . .
W4 W 0.98808(6) 0.28710(5) 0.78542(5) 0.0306(2) Uani 1 1 d . . .
W5 W 0.85129(7) 0.34823(5) 0.94340(5) 0.0295(2) Uani 1 1 d . . .
W6 W 0.91579(7) 0.15020(5) 0.89379(5) 0.0305(2) Uani 1 1 d . . .
W7 W 0.60985(7) 0.09484(5) 0.88098(5) 0.0287(2) Uani 1 1 d . . .
W8 W 0.54441(7) 0.29118(5) 0.92055(4) 0.0272(2) Uani 1 1 d . . .
W9 W 0.41678(6) 0.17539(4) 0.74936(4) 0.01948(18) Uani 1 1 d . . .
Y1 Y 0.50205(14) 0.11121(9) 0.53799(10) 0.0182(4) Uani 1 1 d . . .
Y2 Y 0.54294(15) -0.02833(10) 0.68091(10) 0.0239(4) Uani 1 1 d . . .
As1 As 0.70277(14) 0.22186(10) 0.75052(10) 0.0166(4) Uani 1 1 d . . .
K1 K 1.0493(5) 0.0625(3) 0.6995(4) 0.0645(17) Uani 1 1 d . . .
K2 K 0.1782(6) 0.2618(4) 0.6229(4) 0.0721(18) Uani 1 1 d . . .
K3 K 1.0603(7) 0.4764(5) 1.1506(5) 0.0289(19) Uani 0.50 1 d PU . .
K4 K 0.6853(8) 0.7046(6) 0.9146(5) 0.038(2) Uani 0.50 1 d P . .
K5 K 0.1703(3) 0.0266(2) 0.2341(2) 0.0272(9) Uani 1 1 d . . .
K6 K 1.1717(10) -0.0124(7) 0.9666(7) 0.059(3) Uani 0.50 1 d PU . .
O1 O 0.3777(11) 0.3643(8) 0.5827(8) 0.036(3) Uiso 1 1 d . . .
O2 O 0.5334(10) 0.2423(7) 0.5871(7) 0.028(3) Uiso 1 1 d . . .
O3 O 0.5036(10) 0.4287(7) 0.7304(7) 0.025(3) Uiso 1 1 d . . .
O4 O 0.6125(11) 0.3968(7) 0.6093(7) 0.030(3) Uiso 1 1 d . . .
O5 O 0.4226(10) 0.2724(7) 0.7058(7) 0.024(3) Uiso 1 1 d . . .
O6 O 0.6625(9) 0.3226(7) 0.7311(7) 0.020(3) Uiso 1 1 d . . .
O7 O 0.6029(12) 0.5431(8) 0.8560(8) 0.039(3) Uiso 1 1 d . . .
O8 O 0.7258(10) 0.4735(7) 0.7438(7) 0.029(3) Uiso 1 1 d . . .
O9 O 0.7567(10) 0.4201(7) 0.8813(7) 0.025(3) Uiso 1 1 d . . .
O10 O 0.5481(10) 0.3796(7) 0.8665(7) 0.029(3) Uiso 1 1 d . . .
O11 O 0.8365(12) 0.4493(8) 0.6098(8) 0.037(3) Uiso 1 1 d . . .
O12 O 0.7801(11) 0.2868(7) 0.6010(8) 0.031(3) Uiso 1 1 d . . .
O13 O 0.8953(10) 0.3673(7) 0.7388(7) 0.029(3) Uiso 1 1 d . . .
O14 O 1.1222(13) 0.3253(9) 0.7822(9) 0.052(4) Uiso 1 1 d . . .
O15 O 0.9593(12) 0.2142(8) 0.7025(9) 0.043(4) Uiso 1 1 d . . .
O16 O 0.9723(11) 0.3624(8) 0.8923(8) 0.032(3) Uiso 1 1 d . . .
O17 O 1.0292(11) 0.2082(8) 0.8573(8) 0.032(3) Uiso 1 1 d . . .
O18 O 0.8234(10) 0.2497(7) 0.8256(7) 0.025(3) Uiso 1 1 d . . .
O19 O 0.8879(12) 0.4139(8) 1.0317(8) 0.039(3) Uiso 1 1 d . . .
O20 O 0.9095(10) 0.2497(7) 0.9748(7) 0.026(3) Uiso 1 1 d . . .
O21 O 0.7027(11) 0.3085(7) 0.9579(8) 0.031(3) Uiso 1 1 d . . .
O22 O 0.9961(13) 0.0948(9) 0.9542(9) 0.045(4) Uiso 1 1 d . . .
O23 O 0.8866(11) 0.0805(8) 0.8027(8) 0.036(3) Uiso 1 1 d . . .
O24 O 0.7649(11) 0.1254(8) 0.9163(8) 0.033(3) Uiso 1 1 d . . .
O25 O 0.5954(12) 0.0160(8) 0.9304(9) 0.043(4) Uiso 1 1 d . . .
O26 O 0.6638(11) 0.0428(7) 0.7856(7) 0.030(3) Uiso 1 1 d . . .
O27 O 0.5657(11) 0.1811(7) 0.9506(8) 0.032(3) Uiso 1 1 d . . .
O28 O 0.4661(10) 0.0884(7) 0.8144(7) 0.026(3) Uiso 1 1 d . . .
O29 O 0.6014(9) 0.2086(7) 0.8150(7) 0.019(3) Uiso 1 1 d . . .
O30 O 0.4849(12) 0.3331(8) 1.0007(8) 0.039(3) Uiso 1 1 d . . .
O31 O 0.2739(10) 0.1489(7) 0.7226(7) 0.027(3) Uiso 1 1 d . . .
O32 O 0.4826(10) 0.1165(7) 0.6734(7) 0.024(3) Uiso 1 1 d . . .
O33 O 0.4122(10) 0.2433(7) 0.8516(7) 0.024(3) Uiso 1 1 d . . .
O34 O 0.4404(12) 0.1345(8) 0.2434(8) 0.038(3) Uiso 1 1 d . . .
O35 O 0.3856(15) 0.2623(10) 0.2452(10) 0.062(5) Uiso 1 1 d . . .
O36 O 0.2701(11) 0.0938(8) 0.3031(8) 0.033(3) Uiso 1 1 d . . .
O37 O 0.4482(10) 0.1411(7) 0.4150(7) 0.028(3) Uiso 1 1 d . . .
O38 O 0.3136(10) 0.1549(7) 0.5224(7) 0.029(3) Uiso 1 1 d . . .
O39 O 0.1882(14) 0.2268(10) 0.4541(10) 0.055(4) Uiso 1 1 d . . .
O40 O 0.3488(10) -0.0347(7) 0.3949(7) 0.026(3) Uiso 1 1 d . . .
O41 O 0.1687(14) 0.0074(10) 0.3890(10) 0.057(4) Uiso 1 1 d . . .
O42 O 0.3099(10) -0.1473(7) 0.4810(7) 0.026(3) Uiso 1 1 d . . .
O43 O 0.4211(9) -0.0139(7) 0.5554(7) 0.020(3) Uiso 1 1 d . . .
O44 O 0.3582(12) -0.0583(8) 0.6858(8) 0.037(3) Uiso 1 1 d . . .
O45 O 0.1756(13) -0.0614(9) 0.6365(9) 0.047(4) Uiso 1 1 d . . .
C1 C 0.3794(18) 0.1955(13) 0.2654(12) 0.037(5) Uiso 1 1 d . . .
C2 C 0.2957(18) 0.1795(12) 0.3178(13) 0.040(5) Uiso 1 1 d . . .
H2 H 0.2272 0.2120 0.3101 0.048 Uiso 1 1 calc R . .
C3 C 0.3595(16) 0.1949(11) 0.4045(11) 0.030(4) Uiso 1 1 d . . .
H3 H 0.3935 0.2500 0.4141 0.036 Uiso 1 1 calc R . .
C4 C 0.2807(15) 0.1916(11) 0.4641(11) 0.026(4) Uiso 1 1 d . . .
C5 C 0.2493(15) -0.0340(10) 0.4143(10) 0.022(4) Uiso 1 1 d . . .
C6 C 0.2448(14) -0.0747(10) 0.4844(10) 0.019(4) Uiso 1 1 d . . .
H6 H 0.1657 -0.0869 0.4887 0.023 Uiso 1 1 calc R . .
C7 C 0.3040(15) -0.0208(11) 0.5585(10) 0.024(4) Uiso 1 1 d . . .
H7 H 0.2734 0.0338 0.5568 0.028 Uiso 1 1 calc R . .
C8 C 0.2747(17) -0.0479(12) 0.6340(12) 0.034(5) Uiso 1 1 d . . .
O1W O 1.0530(17) 0.0877(12) 0.5340(12) 0.081(6) Uiso 1 1 d . . .
O2W O -0.041(2) 0.2480(16) 0.5206(17) 0.087(8) Uiso 0.75 1 d P . .
O3W O 0.420(2) 0.4904(14) 0.9732(14) 0.065(6) Uiso 0.75 1 d P . .
O4W O 1.247(2) 0.1951(14) 0.9375(14) 0.106(8) Uiso 1 1 d . . .
O5W O 0.650(3) 0.1877(18) 0.2222(18) 0.100(10) Uiso 0.75 1 d P . .
O6W O 0.015(3) -0.180(2) 0.655(2) 0.131(13) Uiso 0.75 1 d P . .
O7W O 1.3121(12) 0.4114(8) 0.8075(8) 0.040(3) Uiso 1 1 d . . .
O8W O 0.824(2) 0.5945(15) 0.9891(16) 0.120(9) Uiso 1 1 d . . .
O9W O 1.188(3) 0.089(2) 1.122(2) 0.127(12) Uiso 0.75 1 d P . .
O10W O 0.769(2) 0.2083(17) 1.0945(17) 0.090(9) Uiso 0.75 1 d P . .
O11W O 0.383(3) -0.287(2) 0.581(2) 0.130(13) Uiso 0.75 1 d P . .
O12W O 0.202(3) 0.4024(18) 0.4614(18) 0.100(10) Uiso 0.75 1 d P . .
O13W O 0.101(4) 0.413(3) 0.619(3) 0.092(13) Uiso 0.50 1 d P . .
O14W O 1.248(4) 0.005(3) 0.830(3) 0.115 Uiso 0.50 1 d P . .
O15W O 0.490(2) 0.1564(15) 1.0895(15) 0.116 Uiso 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O1 1.715(13) . ?
W1 O2 1.769(12) . ?
W1 O4 1.907(13) . ?
W1 O5 1.966(12) . ?
W1 O3 2.022(12) . ?
W1 O6 2.348(11) . ?
W1 K2 3.934(7) . ?
W2 O7 1.733(13) . ?
W2 O8 1.837(12) . ?
W2 O9 1.873(12) . ?
W2 O3 1.880(12) . ?
W2 O10 1.963(12) . ?
W2 O6 2.369(11) . ?
W2 K3 3.798(8) 2_767 ?
W3 O11 1.728(14) . ?
W3 O12 1.745(12) . ?
W3 O13 1.907(13) . ?
W3 O4 1.983(13) . ?
W3 O8 2.108(12) . ?
W3 O6 2.301(11) . ?
W3 K3 4.007(7) 2_767 ?
W4 O15 1.724(14) . ?
W4 O14 1.730(16) . ?
W4 O13 1.923(12) . ?
W4 O17 1.957(13) . ?
W4 O16 2.114(13) . ?
W4 O18 2.302(12) . ?
W4 K2 3.879(6) 1_655 ?
W4 K1 3.919(5) . ?
W4 K3 3.987(8) 2_767 ?
W5 O19 1.736(14) . ?
W5 O16 1.845(13) . ?
W5 O20 1.901(12) . ?
W5 O21 1.955(13) . ?
W5 O9 1.965(12) . ?
W5 O18 2.397(12) . ?
W5 K3 3.779(8) 2_767 ?
W6 O22 1.685(15) . ?
W6 O23 1.799(13) . ?
W6 O17 1.902(13) . ?
W6 O24 1.956(13) . ?
W6 O20 2.013(12) . ?
W6 O18 2.351(12) . ?
W6 K5 3.448(4) 2_656 ?
W6 K6 3.842(12) 2_757 ?
W6 K1 4.044(6) . ?
W7 O25 1.696(14) . ?
W7 O27 1.865(12) . ?
W7 O24 1.891(13) . ?
W7 O28 1.897(12) . ?
W7 O26 1.957(12) . ?
W7 O29 2.352(11) . ?
W7 K6 3.814(10) 2_757 ?
W7 K5 3.928(4) 2_656 ?
W8 O30 1.722(13) . ?
W8 O10 1.865(12) . ?
W8 O21 1.896(13) . ?
W8 O33 1.907(12) . ?
W8 O27 1.984(13) . ?
W8 O29 2.315(11) . ?
W9 O31 1.726(12) . ?
W9 O32 1.808(11) . ?
W9 O5 1.889(12) . ?
W9 O33 1.965(11) . ?
W9 O28 2.000(12) . ?
W9 O29 2.329(11) . ?
W9 K2 3.729(6) . ?
Y1 O2 2.223(12) . ?
Y1 O37 2.262(13) . ?
Y1 O38 2.345(12) . ?
Y1 O43 2.372(11) . ?
Y1 O32 2.394(12) . ?
Y1 O43 2.404(11) 2_656 ?
Y1 O42 2.404(12) 2_656 ?
Y1 O40 2.432(12) 2_656 ?
Y1 Y2 3.630(2) . ?
Y1 Y1 3.728(3) 2_656 ?
Y1 Y2 3.799(2) 2_656 ?
Y2 O44 2.272(14) . ?
Y2 O26 2.296(13) . ?
Y2 O37 2.327(12) 2_656 ?
Y2 O40 2.340(12) 2_656 ?
Y2 O34 2.348(14) 2_656 ?
Y2 O43 2.462(12) . ?
Y2 O36 2.471(13) 2_656 ?
Y2 O32 2.529(11) . ?
Y2 K5 3.489(4) 2_656 ?
Y2 Y1 3.799(2) 2_656 ?
As1 O18 1.785(12) . ?
As1 O6 1.807(11) . ?
As1 O29 1.812(11) . ?
K1 O15 2.737(15) . ?
K1 O45 2.751(15) 1_655 ?
K1 O23 2.836(14) . ?
K1 O41 2.931(18) 2_656 ?
K1 O31 2.972(14) 1_655 ?
K1 O1W 2.98(2) . ?
K1 O14W 3.26(5) . ?
K1 O17 3.414(14) . ?
K1 K5 3.445(7) 2_656 ?
K1 C8 3.50(2) 1_655 ?
K2 O13W 2.68(4) . ?
K2 O31 2.861(14) . ?
K2 O2W 2.89(3) . ?
K2 O39 2.928(17) . ?
K2 O38 2.966(13) . ?
K2 O14 2.996(17) 1_455 ?
K2 O5 3.021(14) . ?
K2 O1 3.151(15) . ?
K2 C4 3.258(19) . ?
K2 O1W 3.29(2) 1_455 ?
K2 O15 3.295(16) 1_455 ?
K3 O19 2.743(16) . ?
K3 O16 2.898(15) 2_767 ?
K3 O8 2.925(15) 2_767 ?
K3 O9 2.948(15) 2_767 ?
K3 O13 2.978(14) 2_767 ?
K3 O8W 3.07(3) 2_767 ?
K3 W5 3.779(8) 2_767 ?
K3 W2 3.798(8) 2_767 ?
K3 W4 3.987(8) 2_767 ?
K3 W3 4.007(7) 2_767 ?
K3 K4 4.430(13) 2_767 ?
K4 O8W 2.79(3) . ?
K4 O30 2.816(17) 2_667 ?
K4 O7 2.835(16) . ?
K4 O4W 2.84(3) 2_767 ?
K4 O35 2.91(2) 2_666 ?
K4 O15W 3.11(3) 2_667 ?
K4 K3 4.430(13) 2_767 ?
K5 O36 1.794(14) . ?
K5 O23 1.883(14) 2_656 ?
K5 O26 2.335(13) 2_656 ?
K5 O9W 2.39(4) 1_454 ?
K5 O41 2.767(17) . ?
K5 C2 2.99(2) . ?
K5 C5 3.428(18) . ?
K5 K1 3.445(7) 2_656 ?
K5 W6 3.448(4) 2_656 ?
K5 Y2 3.489(4) 2_656 ?
K5 W7 3.928(4) 2_656 ?
K5 K6 4.605(12) 1_454 ?
K6 O14W 2.73(5) . ?
K6 O22 2.751(17) . ?
K6 O9W 2.93(4) . ?
K6 O24 2.987(17) 2_757 ?
K6 O22 3.039(19) 2_757 ?
K6 O25 3.052(19) 2_757 ?
K6 O10W 3.38(3) 2_757 ?
K6 W7 3.814(10) 2_757 ?
K6 W6 3.842(12) 2_757 ?
K6 K6 4.43(2) 2_757 ?
K6 K5 4.605(12) 1_656 ?
K6 K5 4.892(12) 2_656 ?
O8 K3 2.925(15) 2_767 ?
O9 K3 2.948(15) 2_767 ?
O13 K3 2.978(14) 2_767 ?
O14 K2 2.996(17) 1_655 ?
O15 K2 3.295(16) 1_655 ?
O16 K3 2.898(15) 2_767 ?
O22 K6 3.039(19) 2_757 ?
O23 K5 1.883(14) 2_656 ?
O24 K6 2.987(17) 2_757 ?
O25 K6 3.052(19) 2_757 ?
O26 K5 2.335(13) 2_656 ?
O30 K4 2.816(16) 2_667 ?
O31 K1 2.972(14) 1_455 ?
O34 C1 1.29(2) . ?
O34 Y2 2.348(14) 2_656 ?
O35 C1 1.22(2) . ?
O35 K4 2.91(2) 2_666 ?
O36 C2 1.43(2) . ?
O36 Y2 2.471(13) 2_656 ?
O37 C3 1.39(2) . ?
O37 Y2 2.327(12) 2_656 ?
O38 C4 1.27(2) . ?
O39 C4 1.25(2) . ?
O40 C5 1.28(2) . ?
O40 Y2 2.340(12) 2_656 ?
O40 Y1 2.432(12) 2_656 ?
O41 C5 1.24(2) . ?
O41 K1 2.931(18) 2_656 ?
O42 C6 1.434(19) . ?
O42 Y1 2.404(12) 2_656 ?
O43 C7 1.41(2) . ?
O43 Y1 2.404(11) 2_656 ?
O44 C8 1.26(2) . ?
O45 C8 1.21(2) . ?
O45 K1 2.751(15) 1_455 ?
C1 C2 1.51(3) . ?
C2 C3 1.56(3) . ?
C2 H2 0.9800 . ?
C3 C4 1.51(3) . ?
C3 H3 0.9800 . ?
C5 C6 1.49(2) . ?
C6 C7 1.52(2) . ?
C6 H6 0.9800 . ?
C7 C8 1.54(3) . ?
C7 H7 0.9800 . ?
C8 K1 3.50(2) 1_455 ?
O1W K2 3.29(2) 1_655 ?
O4W K4 2.84(3) 2_767 ?
O8W K3 3.07(3) 2_767 ?
O9W K5 2.39(4) 1_656 ?
O10W K6 3.38(3) 2_757 ?
O15W K4 3.11(3) 2_667 ?

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
O1 W1 O2 104.3(6) . . ?
O1 W1 O4 100.9(6) . . ?
O2 W1 O4 93.6(5) . . ?
O1 W1 O5 98.9(6) . . ?
O2 W1 O5 88.8(5) . . ?
O4 W1 O5 158.9(5) . . ?
O1 W1 O3 97.2(5) . . ?
O2 W1 O3 158.4(5) . . ?
O4 W1 O3 84.3(5) . . ?
O5 W1 O3 85.8(5) . . ?
O1 W1 O6 168.6(5) . . ?
O2 W1 O6 86.6(5) . . ?
O4 W1 O6 74.5(5) . . ?
O5 W1 O6 84.7(4) . . ?
O3 W1 O6 72.2(4) . . ?
O1 W1 K2 51.0(5) . . ?
O2 W1 K2 92.3(4) . . ?
O4 W1 K2 151.8(4) . . ?
O5 W1 K2 48.7(4) . . ?
O3 W1 K2 99.6(4) . . ?
O6 W1 K2 133.3(3) . . ?
O7 W2 O8 100.7(6) . . ?
O7 W2 O9 101.0(6) . . ?
O8 W2 O9 91.2(5) . . ?
O7 W2 O3 100.1(6) . . ?
O8 W2 O3 93.6(5) . . ?
O9 W2 O3 157.1(5) . . ?
O7 W2 O10 99.9(6) . . ?
O8 W2 O10 159.3(5) . . ?
O9 W2 O10 82.6(5) . . ?
O3 W2 O10 85.0(5) . . ?
O7 W2 O6 171.9(5) . . ?
O8 W2 O6 74.6(5) . . ?
O9 W2 O6 85.7(4) . . ?
O3 W2 O6 74.0(4) . . ?
O10 W2 O6 85.2(4) . . ?
O7 W2 K3 85.3(5) . 2_767 ?
O8 W2 K3 48.5(4) . 2_767 ?
O9 W2 K3 49.5(4) . 2_767 ?
O3 W2 K3 141.8(4) . 2_767 ?
O10 W2 K3 131.6(4) . 2_767 ?
O6 W2 K3 96.0(3) . 2_767 ?
O11 W3 O12 105.0(6) . . ?
O11 W3 O13 100.4(6) . . ?
O12 W3 O13 95.9(5) . . ?
O11 W3 O4 97.9(6) . . ?
O12 W3 O4 93.2(5) . . ?
O13 W3 O4 156.7(5) . . ?
O11 W3 O8 95.0(6) . . ?
O12 W3 O8 159.7(5) . . ?
O13 W3 O8 83.8(5) . . ?
O4 W3 O8 80.4(5) . . ?
O11 W3 O6 165.2(5) . . ?
O12 W3 O6 88.1(5) . . ?
O13 W3 O6 84.5(5) . . ?
O4 W3 O6 74.3(5) . . ?
O8 W3 O6 71.6(4) . . ?
O11 W3 K3 82.3(5) . 2_767 ?
O12 W3 K3 140.4(4) . 2_767 ?
O13 W3 K3 44.9(4) . 2_767 ?
O4 W3 K3 124.8(4) . 2_767 ?
O8 W3 K3 45.0(4) . 2_767 ?
O6 W3 K3 91.8(3) . 2_767 ?
O15 W4 O14 104.2(7) . . ?
O15 W4 O13 94.0(6) . . ?
O14 W4 O13 100.0(6) . . ?
O15 W4 O17 94.4(6) . . ?
O14 W4 O17 99.8(6) . . ?
O13 W4 O17 155.9(5) . . ?
O15 W4 O16 161.6(6) . . ?
O14 W4 O16 94.2(6) . . ?
O13 W4 O16 83.6(5) . . ?
O17 W4 O16 81.4(5) . . ?
O15 W4 O18 90.3(6) . . ?
O14 W4 O18 164.3(6) . . ?
O13 W4 O18 84.6(5) . . ?
O17 W4 O18 72.8(5) . . ?
O16 W4 O18 71.3(5) . . ?
O15 W4 K2 57.6(5) . 1_655 ?
O14 W4 K2 47.5(5) . 1_655 ?
O13 W4 K2 93.5(4) . 1_655 ?
O17 W4 K2 110.1(4) . 1_655 ?
O16 W4 K2 140.6(4) . 1_655 ?
O18 W4 K2 147.7(3) . 1_655 ?
O15 W4 K1 36.7(5) . . ?
O14 W4 K1 95.1(5) . . ?
O13 W4 K1 130.6(4) . . ?
O17 W4 K1 60.6(4) . . ?
O16 W4 K1 141.9(4) . . ?
O18 W4 K1 93.0(3) . . ?
K2 W4 K1 64.07(14) 1_655 . ?
O15 W4 K3 138.8(5) . 2_767 ?
O14 W4 K3 80.5(5) . 2_767 ?
O13 W4 K3 45.6(4) . 2_767 ?
O17 W4 K3 125.6(4) . 2_767 ?
O16 W4 K3 44.8(4) . 2_767 ?
O18 W4 K3 92.6(3) . 2_767 ?
K2 W4 K3 109.00(17) 1_655 2_767 ?
K1 W4 K3 172.82(16) . 2_767 ?
O19 W5 O16 102.5(6) . . ?
O19 W5 O20 99.9(6) . . ?
O16 W5 O20 92.3(5) . . ?
O19 W5 O21 99.5(6) . . ?
O16 W5 O21 157.9(5) . . ?
O20 W5 O21 86.3(5) . . ?
O19 W5 O9 99.9(6) . . ?
O16 W5 O9 91.4(5) . . ?
O20 W5 O9 158.6(5) . . ?
O21 W5 O9 82.3(5) . . ?
O19 W5 O18 172.8(5) . . ?
O16 W5 O18 73.6(5) . . ?
O20 W5 O18 74.5(5) . . ?
O21 W5 O18 84.8(5) . . ?
O9 W5 O18 86.4(4) . . ?
O19 W5 K3 85.1(5) . 2_767 ?
O16 W5 K3 48.2(4) . 2_767 ?
O20 W5 K3 139.9(4) . 2_767 ?
O21 W5 K3 132.4(4) . 2_767 ?
O9 W5 K3 50.5(4) . 2_767 ?
O18 W5 K3 96.3(3) . 2_767 ?
O22 W6 O23 102.6(6) . . ?
O22 W6 O17 101.6(6) . . ?
O23 W6 O17 92.3(6) . . ?
O22 W6 O24 99.7(6) . . ?
O23 W6 O24 90.0(6) . . ?
O17 W6 O24 157.5(5) . . ?
O22 W6 O20 96.6(6) . . ?
O23 W6 O20 160.6(5) . . ?
O17 W6 O20 86.6(5) . . ?
O24 W6 O20 83.9(5) . . ?
O22 W6 O18 168.6(6) . . ?
O23 W6 O18 87.5(5) . . ?
O17 W6 O18 72.5(5) . . ?
O24 W6 O18 85.3(5) . . ?
O20 W6 O18 73.7(4) . . ?
O22 W6 K5 89.3(5) . 2_656 ?
O23 W6 K5 21.0(4) . 2_656 ?
O17 W6 K5 111.2(4) . 2_656 ?
O24 W6 K5 76.1(4) . 2_656 ?
O20 W6 K5 159.8(3) . 2_656 ?
O18 W6 K5 101.8(3) . 2_656 ?
O22 W6 K6 49.8(5) . 2_757 ?
O23 W6 K6 99.2(5) . 2_757 ?
O17 W6 K6 150.7(4) . 2_757 ?
O24 W6 K6 50.0(4) . 2_757 ?
O20 W6 K6 90.9(4) . 2_757 ?
O18 W6 K6 134.4(3) . 2_757 ?
K5 W6 K6 78.1(2) 2_656 2_757 ?
O22 W6 K1 95.7(5) . . ?
O23 W6 K1 37.5(4) . . ?
O17 W6 K1 57.3(4) . . ?
O24 W6 K1 127.4(4) . . ?
O20 W6 K1 143.5(4) . . ?
O18 W6 K1 89.1(3) . . ?
K5 W6 K1 54.05(11) 2_656 . ?
K6 W6 K1 122.67(18) 2_757 . ?
O25 W7 O27 100.6(6) . . ?
O25 W7 O24 101.5(6) . . ?
O27 W7 O24 90.7(5) . . ?
O25 W7 O28 100.3(6) . . ?
O27 W7 O28 92.3(5) . . ?
O24 W7 O28 157.1(5) . . ?
O25 W7 O26 103.3(6) . . ?
O27 W7 O26 156.1(5) . . ?
O24 W7 O26 84.2(5) . . ?
O28 W7 O26 83.9(5) . . ?
O25 W7 O29 171.3(5) . . ?
O27 W7 O29 74.2(5) . . ?
O24 W7 O29 85.7(5) . . ?
O28 W7 O29 73.3(5) . . ?
O26 W7 O29 82.2(5) . . ?
O25 W7 K6 51.2(5) . 2_757 ?
O27 W7 K6 95.9(4) . 2_757 ?
O24 W7 K6 50.4(4) . 2_757 ?
O28 W7 K6 151.3(4) . 2_757 ?
O26 W7 K6 98.6(4) . 2_757 ?
O29 W7 K6 135.4(3) . 2_757 ?
O25 W7 K5 90.8(5) . 2_656 ?
O27 W7 K5 153.9(4) . 2_656 ?
O24 W7 K5 63.9(4) . 2_656 ?
O28 W7 K5 108.8(4) . 2_656 ?
O26 W7 K5 26.1(4) . 2_656 ?
O29 W7 K5 96.9(3) . 2_656 ?
K6 W7 K5 72.99(17) 2_757 2_656 ?
O30 W8 O10 101.7(6) . . ?
O30 W8 O21 102.6(6) . . ?
O10 W8 O21 88.9(5) . . ?
O30 W8 O33 100.5(6) . . ?
O10 W8 O33 93.0(5) . . ?
O21 W8 O33 155.9(5) . . ?
O30 W8 O27 96.5(6) . . ?
O10 W8 O27 161.7(5) . . ?
O21 W8 O27 85.9(5) . . ?
O33 W8 O27 84.9(5) . . ?
O30 W8 O29 167.0(5) . . ?
O10 W8 O29 89.0(5) . . ?
O21 W8 O29 84.7(5) . . ?
O33 W8 O29 71.3(4) . . ?
O27 W8 O29 73.1(5) . . ?
O31 W9 O32 104.0(5) . . ?
O31 W9 O5 100.8(5) . . ?
O32 W9 O5 93.3(5) . . ?
O31 W9 O33 99.2(5) . . ?
O32 W9 O33 156.1(5) . . ?
O5 W9 O33 88.0(5) . . ?
O31 W9 O28 99.3(5) . . ?
O32 W9 O28 86.2(5) . . ?
O5 W9 O28 159.3(5) . . ?
O33 W9 O28 84.3(5) . . ?
O31 W9 O29 166.5(5) . . ?
O32 W9 O29 86.1(5) . . ?
O5 W9 O29 87.2(5) . . ?
O33 W9 O29 70.1(4) . . ?
O28 W9 O29 72.1(4) . . ?
O31 W9 K2 47.5(4) . . ?
O32 W9 K2 99.3(4) . . ?
O5 W9 K2 53.7(4) . . ?
O33 W9 K2 100.6(3) . . ?
O28 W9 K2 146.8(4) . . ?
O29 W9 K2 140.6(3) . . ?
O2 Y1 O37 91.4(4) . . ?
O2 Y1 O38 80.7(4) . . ?
O37 Y1 O38 69.9(4) . . ?
O2 Y1 O43 145.4(4) . . ?
O37 Y1 O43 112.7(4) . . ?
O38 Y1 O43 84.7(4) . . ?
O2 Y1 O32 76.8(4) . . ?
O37 Y1 O32 153.3(4) . . ?
O38 Y1 O32 84.5(4) . . ?
O43 Y1 O32 70.7(4) . . ?
O2 Y1 O43 136.1(4) . 2_656 ?
O37 Y1 O43 70.3(4) . 2_656 ?
O38 Y1 O43 125.0(4) . 2_656 ?
O43 Y1 O43 77.4(4) . 2_656 ?
O32 Y1 O43 134.0(4) . 2_656 ?
O2 Y1 O42 72.7(4) . 2_656 ?
O37 Y1 O42 84.3(4) . 2_656 ?
O38 Y1 O42 142.2(4) . 2_656 ?
O43 Y1 O42 131.7(4) . 2_656 ?
O32 Y1 O42 113.9(4) . 2_656 ?
O43 Y1 O42 66.2(4) 2_656 2_656 ?
O2 Y1 O40 107.8(4) . 2_656 ?
O37 Y1 O40 137.1(4) . 2_656 ?
O38 Y1 O40 149.3(4) . 2_656 ?
O43 Y1 O40 71.7(4) . 2_656 ?
O32 Y1 O40 69.6(4) . 2_656 ?
O43 Y1 O40 69.4(4) 2_656 2_656 ?
O42 Y1 O40 66.6(4) 2_656 2_656 ?
O2 Y1 Y2 115.6(3) . . ?
O37 Y1 Y2 152.9(3) . . ?
O38 Y1 Y2 109.9(3) . . ?
O43 Y1 Y2 42.3(3) . . ?
O32 Y1 Y2 44.0(3) . . ?
O43 Y1 Y2 90.3(3) 2_656 . ?
O42 Y1 Y2 105.6(3) 2_656 . ?
O40 Y1 Y2 39.5(3) 2_656 . ?
O2 Y1 Y1 171.2(3) . 2_656 ?
O37 Y1 Y1 91.6(3) . 2_656 ?
O38 Y1 Y1 108.1(3) . 2_656 ?
O43 Y1 Y1 39.0(3) . 2_656 ?
O32 Y1 Y1 103.7(3) . 2_656 ?
O43 Y1 Y1 38.4(3) 2_656 2_656 ?
O42 Y1 Y1 99.4(3) 2_656 2_656 ?
O40 Y1 Y1 64.7(3) 2_656 2_656 ?
Y2 Y1 Y1 62.16(5) . 2_656 ?
O2 Y1 Y2 123.8(3) . 2_656 ?
O37 Y1 Y2 34.7(3) . 2_656 ?
O38 Y1 Y2 88.9(3) . 2_656 ?
O43 Y1 Y2 86.8(3) . 2_656 ?
O32 Y1 Y2 157.0(3) . 2_656 ?
O43 Y1 Y2 39.2(3) 2_656 2_656 ?
O42 Y1 Y2 84.4(3) 2_656 2_656 ?
O40 Y1 Y2 108.5(3) 2_656 2_656 ?
Y2 Y1 Y2 119.81(5) . 2_656 ?
Y1 Y1 Y2 57.65(5) 2_656 2_656 ?
O44 Y2 O26 122.9(5) . . ?
O44 Y2 O37 91.7(5) . 2_656 ?
O26 Y2 O37 137.2(4) . 2_656 ?
O44 Y2 O40 140.0(5) . 2_656 ?
O26 Y2 O40 84.1(4) . 2_656 ?
O37 Y2 O40 83.2(4) 2_656 2_656 ?
O44 Y2 O34 77.6(5) . 2_656 ?
O26 Y2 O34 84.8(5) . 2_656 ?
O37 Y2 O34 78.5(4) 2_656 2_656 ?
O40 Y2 O34 138.7(4) 2_656 2_656 ?
O44 Y2 O43 69.6(4) . . ?
O26 Y2 O43 142.9(4) . . ?
O37 Y2 O43 68.3(4) 2_656 . ?
O40 Y2 O43 71.6(4) 2_656 . ?
O34 Y2 O43 131.7(4) 2_656 . ?
O44 Y2 O36 138.8(5) . 2_656 ?
O26 Y2 O36 69.9(4) . 2_656 ?
O37 Y2 O36 67.3(4) 2_656 2_656 ?
O40 Y2 O36 74.8(4) 2_656 2_656 ?
O34 Y2 O36 64.1(4) 2_656 2_656 ?
O43 Y2 O36 126.4(4) . 2_656 ?
O44 Y2 O32 87.0(4) . . ?
O26 Y2 O32 78.4(4) . . ?
O37 Y2 O32 132.6(4) 2_656 . ?
O40 Y2 O32 68.8(4) 2_656 . ?
O34 Y2 O32 146.0(4) 2_656 . ?
O43 Y2 O32 67.0(4) . . ?
O36 Y2 O32 133.5(4) 2_656 . ?
O44 Y2 K5 149.0(4) . 2_656 ?
O26 Y2 K5 41.5(3) . 2_656 ?
O37 Y2 K5 95.8(3) 2_656 2_656 ?
O40 Y2 K5 71.0(3) 2_656 2_656 ?
O34 Y2 K5 74.5(3) 2_656 2_656 ?
O43 Y2 K5 140.7(3) . 2_656 ?
O36 Y2 K5 29.1(3) 2_656 2_656 ?
O32 Y2 K5 109.1(3) . 2_656 ?
O44 Y2 Y1 99.8(4) . . ?
O26 Y2 Y1 103.6(3) . . ?
O37 Y2 Y1 93.1(3) 2_656 . ?
O40 Y2 Y1 41.4(3) 2_656 . ?
O34 Y2 Y1 171.1(3) 2_656 . ?
O43 Y2 Y1 40.4(3) . . ?
O36 Y2 Y1 115.7(3) 2_656 . ?
O32 Y2 Y1 41.1(3) . . ?
K5 Y2 Y1 109.83(9) 2_656 . ?
O44 Y2 Y1 90.7(3) . 2_656 ?
O26 Y2 Y1 145.8(3) . 2_656 ?
O37 Y2 Y1 33.6(3) 2_656 2_656 ?
O40 Y2 Y1 63.8(3) 2_656 2_656 ?
O34 Y2 Y1 111.1(3) 2_656 2_656 ?
O43 Y2 Y1 38.1(2) . 2_656 ?
O36 Y2 Y1 89.5(3) 2_656 2_656 ?
O32 Y2 Y1 99.1(3) . 2_656 ?
K5 Y2 Y1 111.77(8) 2_656 2_656 ?
Y1 Y2 Y1 60.19(5) . 2_656 ?
O18 As1 O6 98.7(5) . . ?
O18 As1 O29 97.2(5) . . ?
O6 As1 O29 97.8(5) . . ?
O15 K1 O45 151.8(5) . 1_655 ?
O15 K1 O23 70.7(4) . . ?
O45 K1 O23 136.8(5) 1_655 . ?
O15 K1 O41 89.0(5) . 2_656 ?
O45 K1 O41 94.2(5) 1_655 2_656 ?
O23 K1 O41 72.0(4) . 2_656 ?
O15 K1 O31 85.4(4) . 1_655 ?
O45 K1 O31 80.3(4) 1_655 1_655 ?
O23 K1 O31 127.2(4) . 1_655 ?
O41 K1 O31 156.0(5) 2_656 1_655 ?
O15 K1 O1W 79.7(5) . . ?
O45 K1 O1W 74.1(5) 1_655 . ?
O23 K1 O1W 135.6(5) . . ?
O41 K1 O1W 75.3(5) 2_656 . ?
O31 K1 O1W 80.8(5) 1_655 . ?
O15 K1 O14W 126.8(9) . . ?
O45 K1 O14W 67.3(9) 1_655 . ?
O23 K1 O14W 93.7(9) . . ?
O41 K1 O14W 135.3(10) 2_656 . ?
O31 K1 O14W 63.9(9) 1_655 . ?
O1W K1 O14W 130.7(10) . . ?
O15 K1 O17 50.7(4) . . ?
O45 K1 O17 146.3(5) 1_655 . ?
O23 K1 O17 49.5(4) . . ?
O41 K1 O17 115.1(4) 2_656 . ?
O31 K1 O17 78.7(3) 1_655 . ?
O1W K1 O17 127.2(5) . . ?
O14W K1 O17 79.9(9) . . ?
O15 K1 K5 96.5(3) . 2_656 ?
O45 K1 K5 107.2(4) 1_655 2_656 ?
O23 K1 K5 33.1(3) . 2_656 ?
O41 K1 K5 50.7(3) 2_656 2_656 ?
O31 K1 K5 153.2(3) 1_655 2_656 ?
O1W K1 K5 126.0(5) . 2_656 ?
O14W K1 K5 94.7(9) . 2_656 ?
O17 K1 K5 82.0(3) . 2_656 ?
O15 K1 C8 140.0(5) . 1_655 ?
O45 K1 C8 17.6(4) 1_655 1_655 ?
O23 K1 C8 147.8(5) . 1_655 ?
O41 K1 C8 110.1(5) 2_656 1_655 ?
O31 K1 C8 62.7(4) 1_655 1_655 ?
O1W K1 C8 72.3(5) . 1_655 ?
O14W K1 C8 61.5(9) . 1_655 ?
O17 K1 C8 133.9(5) . 1_655 ?
K5 K1 C8 122.9(4) 2_656 1_655 ?
O15 K1 W4 22.1(3) . . ?
O45 K1 W4 155.9(4) 1_655 . ?
O23 K1 W4 64.3(3) . . ?
O41 K1 W4 105.9(3) 2_656 . ?
O31 K1 W4 75.9(3) 1_655 . ?
O1W K1 W4 97.8(4) . . ?
O14W K1 W4 105.0(9) . . ?
O17 K1 W4 30.0(2) . . ?
K5 K1 W4 96.06(14) 2_656 . ?
C8 K1 W4 138.3(4) 1_655 . ?
O15 K1 W6 64.0(3) . . ?
O45 K1 W6 143.3(4) 1_655 . ?
O23 K1 W6 22.7(3) . . ?
O41 K1 W6 93.9(3) 2_656 . ?
O31 K1 W6 104.5(3) 1_655 . ?
O1W K1 W6 142.4(4) . . ?
O14W K1 W6 82.1(9) . . ?
O17 K1 W6 28.0(2) . . ?
K5 K1 W6 54.11(10) 2_656 . ?
C8 K1 W6 143.6(4) 1_655 . ?
W4 K1 W6 49.95(7) . . ?
O13W K2 O31 145.1(10) . . ?
O13W K2 O2W 72.5(11) . . ?
O31 K2 O2W 127.3(7) . . ?
O13W K2 O39 95.1(10) . . ?
O31 K2 O39 118.9(4) . . ?
O2W K2 O39 65.1(7) . . ?
O13W K2 O38 133.0(10) . . ?
O31 K2 O38 76.5(4) . . ?
O2W K2 O38 100.1(6) . . ?
O39 K2 O38 44.2(4) . . ?
O13W K2 O14 72.3(10) . 1_455 ?
O31 K2 O14 74.7(4) . 1_455 ?
O2W K2 O14 103.8(7) . 1_455 ?
O39 K2 O14 165.7(5) . 1_455 ?
O38 K2 O14 150.0(4) . 1_455 ?
O13W K2 O5 109.0(10) . . ?
O31 K2 O5 56.5(4) . . ?
O2W K2 O5 170.9(6) . . ?
O39 K2 O5 105.9(4) . . ?
O38 K2 O5 72.2(4) . . ?
O14 K2 O5 85.1(4) 1_455 . ?
O13W K2 O1 73.8(10) . . ?
O31 K2 O1 108.8(4) . . ?
O2W K2 O1 119.5(6) . . ?
O39 K2 O1 69.7(4) . . ?
O38 K2 O1 70.3(4) . . ?
O14 K2 O1 111.7(4) 1_455 . ?
O5 K2 O1 53.9(4) . . ?
O13W K2 C4 111.6(10) . . ?
O31 K2 C4 99.5(4) . . ?
O2W K2 C4 85.3(7) . . ?
O39 K2 C4 22.5(4) . . ?
O38 K2 C4 23.0(4) . . ?
O14 K2 C4 170.9(5) 1_455 . ?
O5 K2 C4 85.8(4) . . ?
O1 K2 C4 63.0(4) . . ?
O13W K2 O1W 128.3(11) . 1_455 ?
O31 K2 O1W 77.3(5) . 1_455 ?
O2W K2 O1W 55.8(7) . 1_455 ?
O39 K2 O1W 66.0(5) . 1_455 ?
O38 K2 O1W 64.3(4) . 1_455 ?
O14 K2 O1W 116.3(5) 1_455 1_455 ?
O5 K2 O1W 122.2(5) . 1_455 ?
O1 K2 O1W 131.3(5) . 1_455 ?
C4 K2 O1W 68.3(5) . 1_455 ?
O13W K2 O15 90.3(10) . 1_455 ?
O31 K2 O15 77.7(4) . 1_455 ?
O2W K2 O15 64.1(6) . 1_455 ?
O39 K2 O15 124.3(5) . 1_455 ?
O38 K2 O15 129.2(4) . 1_455 ?
O14 K2 O15 51.1(4) 1_455 1_455 ?
O5 K2 O15 124.4(4) . 1_455 ?
O1 K2 O15 160.4(4) . 1_455 ?
C4 K2 O15 135.4(5) . 1_455 ?
O1W K2 O15 67.7(4) 1_455 1_455 ?
O13W K2 W9 133.4(10) . . ?
O31 K2 W9 26.4(3) . . ?
O2W K2 W9 152.2(6) . . ?
O39 K2 W9 113.9(4) . . ?
O38 K2 W9 70.3(3) . . ?
O14 K2 W9 80.2(3) 1_455 . ?
O5 K2 W9 30.3(2) . . ?
O1 K2 W9 82.7(3) . . ?
C4 K2 W9 91.5(4) . . ?
O1W K2 W9 97.4(4) 1_455 . ?
O15 K2 W9 101.0(3) 1_455 . ?
O19 K3 O16 90.6(4) . 2_767 ?
O19 K3 O8 168.4(5) . 2_767 ?
O16 K3 O8 92.5(4) 2_767 2_767 ?
O19 K3 O9 120.4(5) . 2_767 ?
O16 K3 O9 55.6(4) 2_767 2_767 ?
O8 K3 O9 53.6(4) 2_767 2_767 ?
O19 K3 O13 135.3(5) . 2_767 ?
O16 K3 O13 54.6(4) 2_767 2_767 ?
O8 K3 O13 54.1(4) 2_767 2_767 ?
O9 K3 O13 65.7(4) 2_767 2_767 ?
O19 K3 O8W 74.0(6) . 2_767 ?
O16 K3 O8W 96.5(6) 2_767 2_767 ?
O8 K3 O8W 94.5(6) 2_767 2_767 ?
O9 K3 O8W 64.8(6) 2_767 2_767 ?
O13 K3 O8W 130.5(6) 2_767 2_767 ?
O19 K3 W5 97.3(4) . 2_767 ?
O16 K3 W5 28.3(3) 2_767 2_767 ?
O8 K3 W5 80.4(3) 2_767 2_767 ?
O9 K3 W5 30.9(2) 2_767 2_767 ?
O13 K3 W5 66.1(3) 2_767 2_767 ?
O8W K3 W5 72.1(5) 2_767 2_767 ?
O19 K3 W2 142.5(4) . 2_767 ?
O16 K3 W2 80.5(3) 2_767 2_767 ?
O8 K3 W2 28.1(3) 2_767 2_767 ?
O9 K3 W2 28.9(2) 2_767 2_767 ?
O13 K3 W2 65.6(3) 2_767 2_767 ?
O8W K3 W2 71.0(5) 2_767 2_767 ?
W5 K3 W2 59.36(12) 2_767 2_767 ?
O19 K3 W4 109.2(4) . 2_767 ?
O16 K3 W4 30.9(3) 2_767 2_767 ?
O8 K3 W4 78.6(3) 2_767 2_767 ?
O9 K3 W4 67.7(3) 2_767 2_767 ?
O13 K3 W4 27.5(3) 2_767 2_767 ?
O8W K3 W4 124.7(5) 2_767 2_767 ?
W5 K3 W4 52.58(10) 2_767 2_767 ?
W2 K3 W4 80.90(14) 2_767 2_767 ?
O19 K3 W3 160.5(4) . 2_767 ?
O16 K3 W3 78.3(3) 2_767 2_767 ?
O8 K3 W3 30.6(2) 2_767 2_767 ?
O9 K3 W3 66.0(3) 2_767 2_767 ?
O13 K3 W3 26.9(2) 2_767 2_767 ?
O8W K3 W3 122.7(6) 2_767 2_767 ?
W5 K3 W3 80.50(14) 2_767 2_767 ?
W2 K3 W3 51.80(9) 2_767 2_767 ?
W4 K3 W3 54.23(10) 2_767 2_767 ?
O19 K3 K4 95.8(4) . 2_767 ?
O16 K3 K4 128.4(4) 2_767 2_767 ?
O8 K3 K4 73.5(3) 2_767 2_767 ?
O9 K3 K4 77.7(3) 2_767 2_767 ?
O13 K3 K4 126.9(3) 2_767 2_767 ?
O8W K3 K4 38.6(5) 2_767 2_767 ?
W5 K3 K4 100.2(2) 2_767 2_767 ?
W2 K3 K4 63.93(17) 2_767 2_767 ?
W4 K3 K4 144.2(2) 2_767 2_767 ?
W3 K3 K4 103.6(2) 2_767 2_767 ?
O8W K4 O30 88.0(7) . 2_667 ?
O8W K4 O7 70.0(7) . . ?
O30 K4 O7 71.3(5) 2_667 . ?
O8W K4 O4W 81.7(8) . 2_767 ?
O30 K4 O4W 77.9(6) 2_667 2_767 ?
O7 K4 O4W 138.3(7) . 2_767 ?
O8W K4 O35 137.3(7) . 2_666 ?
O30 K4 O35 118.0(6) 2_667 2_666 ?
O7 K4 O35 86.2(5) . 2_666 ?
O4W K4 O35 133.8(7) 2_767 2_666 ?
O8W K4 O15W 153.6(8) . 2_667 ?
O30 K4 O15W 72.6(6) 2_667 2_667 ?
O7 K4 O15W 117.8(6) . 2_667 ?
O4W K4 O15W 76.9(7) 2_767 2_667 ?
O35 K4 O15W 68.9(6) 2_666 2_667 ?
O8W K4 K3 43.3(6) . 2_767 ?
O30 K4 K3 121.2(4) 2_667 2_767 ?
O7 K4 K3 63.2(3) . 2_767 ?
O4W K4 K3 114.3(6) 2_767 2_767 ?
O35 K4 K3 94.5(4) 2_666 2_767 ?
O15W K4 K3 162.9(6) 2_667 2_767 ?
O36 K5 O23 147.9(6) . 2_656 ?
O36 K5 O26 81.9(5) . 2_656 ?
O23 K5 O26 78.2(5) 2_656 2_656 ?
O36 K5 O9W 96.2(10) . 1_454 ?
O23 K5 O9W 107.6(10) 2_656 1_454 ?
O26 K5 O9W 87.6(9) 2_656 1_454 ?
O36 K5 O41 67.0(6) . . ?
O23 K5 O41 91.6(6) 2_656 . ?
O26 K5 O41 99.0(5) 2_656 . ?
O9W K5 O41 160.6(9) 1_454 . ?
O36 K5 C2 19.5(6) . . ?
O23 K5 C2 167.4(6) 2_656 . ?
O26 K5 C2 94.0(5) 2_656 . ?
O9W K5 C2 81.6(10) 1_454 . ?
O41 K5 C2 79.8(5) . . ?
O36 K5 C5 64.8(5) . . ?
O23 K5 C5 86.9(5) 2_656 . ?
O26 K5 C5 79.3(4) 2_656 . ?
O9W K5 C5 158.1(10) 1_454 . ?
O41 K5 C5 19.7(4) . . ?
C2 K5 C5 82.0(5) . . ?
O36 K5 K1 119.0(5) . 2_656 ?
O23 K5 K1 55.4(4) 2_656 2_656 ?
O26 K5 K1 121.8(3) 2_656 2_656 ?
O9W K5 K1 135.3(9) 1_454 2_656 ?
O41 K5 K1 55.0(4) . 2_656 ?
C2 K5 K1 123.8(4) . 2_656 ?
C5 K5 K1 66.5(3) . 2_656 ?
O36 K5 W6 155.1(4) . 2_656 ?
O23 K5 W6 20.1(4) 2_656 2_656 ?
O26 K5 W6 73.8(3) 2_656 2_656 ?
O9W K5 W6 87.8(9) 1_454 2_656 ?
O41 K5 W6 111.5(4) . 2_656 ?
C2 K5 W6 164.2(4) . 2_656 ?
C5 K5 W6 105.0(3) . 2_656 ?
K1 K5 W6 71.84(13) 2_656 2_656 ?
O36 K5 Y2 42.1(4) . 2_656 ?
O23 K5 Y2 111.2(4) 2_656 2_656 ?
O26 K5 Y2 40.7(3) 2_656 2_656 ?
O9W K5 Y2 99.3(9) 1_454 2_656 ?
O41 K5 Y2 75.1(4) . 2_656 ?
C2 K5 Y2 57.9(4) . 2_656 ?
C5 K5 Y2 59.5(3) . 2_656 ?
K1 K5 Y2 125.20(17) 2_656 2_656 ?
W6 K5 Y2 112.99(11) 2_656 2_656 ?
O36 K5 W7 97.9(4) . 2_656 ?
O23 K5 W7 70.9(4) 2_656 2_656 ?
O26 K5 W7 21.6(3) 2_656 2_656 ?
O9W K5 W7 71.4(8) 1_454 2_656 ?
O41 K5 W7 118.8(4) . 2_656 ?
C2 K5 W7 105.1(4) . 2_656 ?
C5 K5 W7 99.3(3) . 2_656 ?
K1 K5 W7 124.27(14) 2_656 2_656 ?
W6 K5 W7 60.12(6) 2_656 2_656 ?
Y2 K5 W7 59.93(7) 2_656 2_656 ?
O36 K5 K6 122.9(5) . 1_454 ?
O23 K5 K6 74.8(5) 2_656 1_454 ?
O26 K5 K6 73.7(3) 2_656 1_454 ?
O9W K5 K6 33.7(9) 1_454 1_454 ?
O41 K5 K6 165.5(4) . 1_454 ?
C2 K5 K6 112.7(5) . 1_454 ?
C5 K5 K6 149.8(3) . 1_454 ?
K1 K5 K6 117.8(2) 2_656 1_454 ?
W6 K5 K6 54.74(17) 2_656 1_454 ?
Y2 K5 K6 104.75(17) 2_656 1_454 ?
W7 K5 K6 52.37(13) 2_656 1_454 ?
O14W K6 O22 97.7(11) . . ?
O14W K6 O9W 134.3(14) . . ?
O22 K6 O9W 73.6(8) . . ?
O14W K6 O24 132.1(11) . 2_757 ?
O22 K6 O24 129.8(5) . 2_757 ?
O9W K6 O24 74.6(8) . 2_757 ?
O14W K6 O22 147.6(13) . 2_757 ?
O22 K6 O22 80.2(5) . 2_757 ?
O9W K6 O22 76.5(8) . 2_757 ?
O24 K6 O22 55.1(4) 2_757 2_757 ?
O14W K6 O25 97.3(12) . 2_757 ?
O22 K6 O25 136.4(6) . 2_757 ?
O9W K6 O25 66.6(8) . 2_757 ?
O24 K6 O25 54.8(4) 2_757 2_757 ?
O22 K6 O25 106.5(5) 2_757 2_757 ?
O14W K6 O10W 80.3(12) . 2_757 ?
O22 K6 O10W 140.9(7) . 2_757 ?
O9W K6 O10W 134.0(9) . 2_757 ?
O24 K6 O10W 59.7(6) 2_757 2_757 ?
O22 K6 O10W 81.5(6) 2_757 2_757 ?
O25 K6 O10W 82.0(6) 2_757 2_757 ?
O14W K6 W7 114.6(11) . 2_757 ?
O22 K6 W7 141.6(5) . 2_757 ?
O9W K6 W7 69.1(7) . 2_757 ?
O24 K6 W7 29.2(3) 2_757 2_757 ?
O22 K6 W7 82.7(4) 2_757 2_757 ?
O25 K6 W7 25.7(3) 2_757 2_757 ?
O10W K6 W7 68.4(5) 2_757 2_757 ?
O14W K6 W6 149.8(11) . 2_757 ?
O22 K6 W6 103.0(4) . 2_757 ?
O9W K6 W6 73.5(7) . 2_757 ?
O24 K6 W6 30.1(3) 2_757 2_757 ?
O22 K6 W6 25.0(3) 2_757 2_757 ?
O25 K6 W6 82.8(4) 2_757 2_757 ?
O10W K6 W6 69.7(5) 2_757 2_757 ?
W7 K6 W6 58.11(15) 2_757 2_757 ?
O14W K6 K6 131.5(12) . 2_757 ?
O22 K6 K6 42.5(4) . 2_757 ?
O9W K6 K6 70.5(8) . 2_757 ?
O24 K6 K6 90.3(4) 2_757 2_757 ?
O22 K6 K6 37.7(3) 2_757 2_757 ?
O25 K6 K6 130.1(5) 2_757 2_757 ?
O10W K6 K6 112.4(7) 2_757 2_757 ?
W7 K6 K6 113.6(4) 2_757 2_757 ?
W6 K6 K6 61.2(3) 2_757 2_757 ?
O14W K6 K5 156.8(12) . 1_656 ?
O22 K6 K5 87.6(4) . 1_656 ?
O9W K6 K5 26.9(7) . 1_656 ?
O24 K6 K5 50.1(3) 2_757 1_656 ?
O22 K6 K5 55.5(3) 2_757 1_656 ?
O25 K6 K5 64.6(3) 2_757 1_656 ?
O10W K6 K5 109.5(5) 2_757 1_656 ?
W7 K6 K5 54.65(15) 2_757 1_656 ?
W6 K6 K5 47.11(13) 2_757 1_656 ?
K6 K6 K5 65.5(3) 2_757 1_656 ?
O14W K6 K5 74.6(11) . 2_656 ?
O22 K6 K5 51.1(4) . 2_656 ?
O9W K6 K5 122.5(8) . 2_656 ?
O24 K6 K5 127.5(4) 2_757 2_656 ?
O22 K6 K5 79.4(4) 2_757 2_656 ?
O25 K6 K5 170.6(4) 2_757 2_656 ?
O10W K6 K5 91.8(6) 2_757 2_656 ?
W7 K6 K5 155.1(3) 2_757 2_656 ?
W6 K6 K5 101.8(3) 2_757 2_656 ?
K6 K6 K5 58.9(3) 2_757 2_656 ?
K5 K6 K5 124.5(2) 1_656 2_656 ?
W1 O1 K2 103.9(6) . . ?
W1 O2 Y1 152.6(7) . . ?
W2 O3 W1 121.1(6) . . ?
W1 O4 W3 117.6(6) . . ?
W9 O5 W1 147.4(6) . . ?
W9 O5 K2 96.1(5) . . ?
W1 O5 K2 102.1(5) . . ?
As1 O6 W3 115.9(5) . . ?
As1 O6 W1 118.4(5) . . ?
W3 O6 W1 91.4(4) . . ?
As1 O6 W2 134.8(6) . . ?
W3 O6 W2 94.0(4) . . ?
W1 O6 W2 92.2(4) . . ?
W2 O7 K4 146.9(7) . . ?
W2 O8 W3 119.8(6) . . ?
W2 O8 K3 103.4(5) . 2_767 ?
W3 O8 K3 104.3(5) . 2_767 ?
W2 O9 W5 155.8(7) . . ?
W2 O9 K3 101.7(5) . 2_767 ?
W5 O9 K3 98.6(5) . 2_767 ?
W8 O10 W2 149.3(7) . . ?
W3 O13 W4 144.1(7) . . ?
W3 O13 K3 108.2(5) . 2_767 ?
W4 O13 K3 106.9(5) . 2_767 ?
W4 O14 K2 107.3(7) . 1_655 ?
W4 O15 K1 121.3(7) . . ?
W4 O15 K2 96.2(6) . 1_655 ?
K1 O15 K2 86.1(4) . 1_655 ?
W5 O16 W4 120.8(6) . . ?
W5 O16 K3 103.4(5) . 2_767 ?
W4 O16 K3 104.3(5) . 2_767 ?
W6 O17 W4 121.3(7) . . ?
W6 O17 K1 94.8(5) . . ?
W4 O17 K1 89.5(4) . . ?
As1 O18 W4 116.8(6) . . ?
As1 O18 W6 120.1(6) . . ?
W4 O18 W6 92.6(4) . . ?
As1 O18 W5 132.4(6) . . ?
W4 O18 W5 94.3(4) . . ?
W6 O18 W5 91.3(4) . . ?
W5 O19 K3 146.1(7) . . ?
W5 O20 W6 120.2(6) . . ?
W8 O21 W5 149.4(7) . . ?
W6 O22 K6 144.9(8) . . ?
W6 O22 K6 105.2(7) . 2_757 ?
K6 O22 K6 99.8(5) . 2_757 ?
W6 O23 K5 138.9(8) . 2_656 ?
W6 O23 K1 119.8(6) . . ?
K5 O23 K1 91.5(5) 2_656 . ?
W7 O24 W6 150.2(8) . . ?
W7 O24 K6 100.4(6) . 2_757 ?
W6 O24 K6 99.9(5) . 2_757 ?
W7 O25 K6 103.1(7) . 2_757 ?
W7 O26 Y2 122.0(6) . . ?
W7 O26 K5 132.3(6) . 2_656 ?
Y2 O26 K5 97.8(5) . 2_656 ?
W7 O27 W8 120.9(7) . . ?
W7 O28 W9 121.4(6) . . ?
As1 O29 W8 133.7(6) . . ?
As1 O29 W9 114.1(5) . . ?
W8 O29 W9 94.6(4) . . ?
As1 O29 W7 120.3(5) . . ?
W8 O29 W7 91.8(4) . . ?
W9 O29 W7 93.1(4) . . ?
W8 O30 K4 139.2(7) . 2_667 ?
W9 O31 K2 106.1(5) . . ?
W9 O31 K1 163.5(6) . 1_455 ?
K2 O31 K1 90.3(4) . 1_455 ?
W9 O32 Y1 141.1(6) . . ?
W9 O32 Y2 122.0(6) . . ?
Y1 O32 Y2 95.0(4) . . ?
W8 O33 W9 123.6(6) . . ?
C1 O34 Y2 117.2(13) . 2_656 ?
C1 O35 K4 124.5(15) . 2_666 ?
C2 O36 K5 135.8(13) . . ?
C2 O36 Y2 105.3(11) . 2_656 ?
K5 O36 Y2 108.7(6) . 2_656 ?
C3 O37 Y1 117.1(11) . . ?
C3 O37 Y2 119.5(11) . 2_656 ?
Y1 O37 Y2 111.8(5) . 2_656 ?
C4 O38 Y1 116.9(11) . . ?
C4 O38 K2 91.5(10) . . ?
Y1 O38 K2 134.6(5) . . ?
C4 O39 K2 93.8(12) . . ?
C5 O40 Y2 141.1(11) . 2_656 ?
C5 O40 Y1 119.4(11) . 2_656 ?
Y2 O40 Y1 99.0(4) 2_656 2_656 ?
C5 O41 K5 111.8(12) . . ?
C5 O41 K1 123.8(13) . 2_656 ?
K5 O41 K1 74.3(4) . 2_656 ?
C6 O42 Y1 107.6(9) . 2_656 ?
C7 O43 Y1 120.4(10) . . ?
C7 O43 Y1 117.7(9) . 2_656 ?
Y1 O43 Y1 102.6(4) . 2_656 ?
C7 O43 Y2 112.9(10) . . ?
Y1 O43 Y2 97.3(4) . . ?
Y1 O43 Y2 102.6(4) 2_656 . ?
C8 O44 Y2 124.9(13) . . ?
C8 O45 K1 118.9(13) . 1_455 ?
O35 C1 O34 124(2) . . ?
O35 C1 C2 120.2(19) . . ?
O34 C1 C2 115.8(18) . . ?
O36 C2 C1 107.2(16) . . ?
O36 C2 C3 103.8(16) . . ?
C1 C2 C3 107.7(17) . . ?
O36 C2 K5 24.7(8) . . ?
C1 C2 K5 104.2(13) . . ?
C3 C2 K5 126.7(13) . . ?
O36 C2 H2 112.5 . . ?
C1 C2 H2 112.5 . . ?
C3 C2 H2 112.5 . . ?
K5 C2 H2 92.4 . . ?
O37 C3 C4 111.1(15) . . ?
O37 C3 C2 110.7(15) . . ?
C4 C3 C2 112.8(16) . . ?
O37 C3 H3 107.3 . . ?
C4 C3 H3 107.3 . . ?
C2 C3 H3 107.3 . . ?
O39 C4 O38 123.6(18) . . ?
O39 C4 C3 118.1(17) . . ?
O38 C4 C3 118.3(16) . . ?
O39 C4 K2 63.7(11) . . ?
O38 C4 K2 65.5(9) . . ?
C3 C4 K2 153.6(12) . . ?
O41 C5 O40 125.7(17) . . ?
O41 C5 C6 120.4(16) . . ?
O40 C5 C6 112.7(15) . . ?
O41 C5 K5 48.6(10) . . ?
O40 C5 K5 83.0(10) . . ?
C6 C5 K5 160.3(11) . . ?
O42 C6 C5 111.1(13) . . ?
O42 C6 C7 103.8(13) . . ?
C5 C6 C7 109.8(14) . . ?
O42 C6 H6 110.7 . . ?
C5 C6 H6 110.7 . . ?
C7 C6 H6 110.7 . . ?
O43 C7 C6 109.3(13) . . ?
O43 C7 C8 115.5(15) . . ?
C6 C7 C8 112.0(15) . . ?
O43 C7 H7 106.5 . . ?
C6 C7 H7 106.5 . . ?
C8 C7 H7 106.5 . . ?
O45 C8 O44 126(2) . . ?
O45 C8 C7 117.9(18) . . ?
O44 C8 C7 116.0(17) . . ?
O45 C8 K1 43.5(10) . 1_455 ?
O44 C8 K1 116.5(13) . 1_455 ?
C7 C8 K1 111.3(11) . 1_455 ?
K1 O1W K2 82.3(5) . 1_655 ?
K4 O8W K3 98.0(8) . 2_767 ?
K5 O9W K6 119.5(13) 1_656 . ?
K6 O14W K1 112.5(17) . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.109 0.500 0.500 437 122 '1 lithium atom and 12 water molecules'

_platon_squeeze_details          
;
 Highly disordered solvent was located in the structures.
 Reflection contributions from this solvent were removed
 using program SQUEEZE, which determined there to be 122 electrons
 in 437 Å³ removed per unit cell. 
 One lithium atom was determined based on elemental analysis results,
 which could not be directly located from the difference Fourier maps. 
 Thus, the total number of electrons [122] in the void per unit cell, 
 which is attributed to about one lithium atom and
 twelve disordered water molecules per molecule unit.
 Therefore, some reported items that derive from the molecular formula, 
 (e.g., F(000), density, etc.) are known to be incorrect.
;


_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         3.744
_refine_diff_density_min         -2.480
_refine_diff_density_rms         0.383
#=================END
_database_code_depnum_ccdc_archive 'CCDC 987826'
