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

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2007609'
loop_
_audit_author_name
_audit_author_address
'Junwei Zhao'
;Henan University
China
;
_audit_update_record             
;
2020-06-03 deposited with the CCDC.	2020-08-07 downloaded from the CCDC.
;

# start Validation Reply Form


_vrf_PLAT602_1                   
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: There are still solvent accessible voids in the check cif 
report of crystal structure, which suggest that some solvent water 
molecules or counter cations should exist in the structure of 1 that
 cannot be found from the weak residual electron peaks. These 
solvent molecules are highly disordered, and attempts to locate 
and refine them were unsuccessful. On the basis of elemental 
analysis and TG analysis, eleven lattice water molecules and 
eight Na+ cations were directly added to the molecular formula.
;

_vrf_PLAT043_1                   
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..    482.11 Check 
RESPONSE: Hydrogen atoms on the water molecules are not present in the 
refined structure but they obvioulsy must be counted. In addition, 
 eleven lattice water molecules and eight Na+ cations  were directly 
added to each molecular formula, which also must be counted. 
;


_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 structure.
;

_vrf_PLAT342_1                   
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.07 Ang.
RESPONSE: The alert derives from shading of reciprocal space
 by the pressure cell, and it is unavoidable in high pressure
 crystal structure determination.
;


# end Validation Reply Form 

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C6 H121 Na17 O162 Sb3 Tb3 W28'
_chemical_formula_weight         9166.67

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'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   R3m

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'

_cell_length_a                   30.8691(6)
_cell_length_b                   30.8691(6)
_cell_length_c                   14.8152(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     12226.0(5)
_cell_formula_units_Z            3
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9911
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      28.24

_exptl_crystal_description       hexagonal
_exptl_crystal_colour            laurel-green
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             12180
_exptl_absorpt_coefficient_mu    21.599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0493
_exptl_absorpt_correction_T_max  0.0785
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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_reflns_number            23056
_diffrn_reflns_av_R_equivalents  0.0687
_diffrn_reflns_av_sigmaI/netI    0.0627
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.44
_diffrn_reflns_theta_max         24.99
_reflns_number_total             4809
_reflns_number_gt                4533
_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, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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)+(0.1087P)²+454.5696P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   notdeter
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_number_reflns         4809
_refine_ls_number_parameters     307
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0589
_refine_ls_wR_factor_ref         0.1595
_refine_ls_wR_factor_gt          0.1556
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.84802(4) 1.04381(4) 0.01316(7) 0.0253(2) Uani 1 1 d . . .
W2 W 1.0000 1.0000 0.22991(18) 0.0234(5) Uani 1 6 d SU . .
W3 W 0.79153(3) 0.98031(3) 0.22597(7) 0.0245(2) Uani 1 1 d . . .
W4 W 0.85123(2) 1.14877(2) 0.08764(11) 0.0273(3) Uani 1 2 d S . .
W5 W 0.79526(4) 1.08439(4) 0.30519(8) 0.0280(3) Uani 1 1 d . . .
W6 W 0.84924(4) 1.03023(4) 0.42171(7) 0.0298(3) Uani 1 1 d . . .
Tb1 Tb 0.87292(6) 0.93646(3) 0.08993(13) 0.0260(4) Uani 1 2 d S . .
Sb1 Sb 0.91766(4) 1.08234(4) 0.21842(15) 0.0187(4) Uani 1 2 d S . .
Na1 Na 0.7096(6) 0.8548(3) 0.1136(13) 0.039(4) Uani 1 2 d S . .
Na2 Na 0.8786(7) 0.9393(4) 0.3179(14) 0.049(5) Uani 1 2 d S . .
Na3 Na 0.7245(8) 1.0052(9) 0.6856(13) 0.035(5) Uani 0.50 1 d P . .
O1W O 0.951(2) 0.9753(11) 0.014(4) 0.12(2) Uani 1 2 d S . .
O2W O 0.7316(13) 1.0437(13) 0.550(3) 0.083(9) Uiso 1 1 d . . .
O3W O 0.7164(14) 1.0733(14) 0.760(3) 0.094(10) Uiso 1 1 d . . .
O4W O 0.7218(15) 0.9667(15) 0.823(3) 0.106(12) Uiso 1 1 d . . .
O5W O 0.7373(15) 0.9424(15) 0.624(3) 0.104(12) Uiso 1 1 d . . .
O6W O 0.6361(11) 0.9526(11) 0.698(2) 0.073(8) Uiso 1 1 d . . .
O7W O 0.9568(9) 1.0432(9) -0.065(4) 0.088(14) Uiso 1 2 d S . .
O8W O 0.6555(13) 0.9914(13) 0.509(3) 0.027(8) Uiso 0.50 1 d P . .
O9W O 0.6323(11) 0.8162(5) 0.210(2) 0.042(7) Uani 1 2 d S . .
O1 O 0.8822(7) 1.0150(6) 0.0481(13) 0.030(4) Uani 1 1 d . . .
O2 O 0.8534(4) 1.1466(4) 0.3370(15) 0.020(5) Uani 1 2 d SU . .
O3 O 0.8345(7) 1.0065(8) 0.5319(13) 0.037(5) Uani 1 1 d U . .
O4 O 0.8963(7) 1.0134(7) 0.3857(15) 0.034(4) Uani 1 1 d . . .
O5 O 0.8204(7) 1.0911(7) 0.0150(14) 0.034(4) Uani 1 1 d . . .
O6 O 0.8126(7) 1.0080(8) -0.0759(17) 0.044(5) Uani 1 1 d . . .
O7 O 0.9361(11) 0.9680(5) 0.194(3) 0.062(12) Uani 1 2 d S . .
O8 O 0.9020(5) 1.0980(5) 0.447(2) 0.037(7) Uani 1 2 d S . .
O9 O 0.8951(4) 1.1049(4) 0.118(2) 0.028(6) Uani 1 2 d S . .
O10 O 0.8031(6) 1.0122(7) 0.1156(13) 0.028(4) Uani 1 1 d . . .
O11 O 0.7566(7) 1.0198(7) 0.2675(14) 0.032(4) Uani 1 1 d . . .
O12 O 0.8399(6) 0.9651(7) 0.2073(16) 0.037(5) Uani 1 1 d . . .
O13 O 0.8209(5) 1.1791(5) 0.0570(19) 0.035(6) Uani 1 2 d S . .
O14 O 0.7865(10) 0.8932(5) 0.042(3) 0.044(8) Uani 1 2 d S . .
O15 O 0.8510(6) 1.0568(6) 0.2794(12) 0.023(4) Uani 1 1 d . . .
O16 O 0.7956(7) 0.9735(6) 0.3580(15) 0.035(5) Uani 1 1 d . . .
O17 O 0.8069(6) 1.1091(6) 0.1869(12) 0.025(4) Uani 1 1 d . . .
O18 O 1.0000 1.0000 0.341(4) 0.047(9) Uani 1 6 d SU . .
O19 O 0.8414(11) 0.9207(5) -0.0646(19) 0.041(7) Uani 1 2 d S . .
O20 O 0.9040(5) 1.0960(5) -0.050(2) 0.033(6) Uani 1 2 d S . .
O21 O 0.8041(6) 1.0585(7) 0.4200(14) 0.033(4) Uani 1 1 d . . .
O22 O 0.7364(7) 0.9242(7) 0.2093(15) 0.037(5) Uani 1 1 d . . .
O23 O 0.7498(7) 1.0981(7) 0.3400(16) 0.038(5) Uani 1 1 d . . .
C1 C 0.7965(13) 0.8982(7) -0.042(3) 0.029(8) Uani 1 2 d S . .
C2 C 0.752(2) 0.8759(12) -0.115(4) 0.074(17) Uani 1 2 d S . .


_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 O6 1.72(2) . ?
W1 O1 1.765(18) . ?
W1 O20 1.915(15) . ?
W1 O10 1.956(19) . ?
W1 O5 2.026(17) . ?
W1 O9 2.31(2) . ?
W2 O18 1.65(6) . ?
W2 O7 1.79(3) . ?
W2 O7 1.79(3) 3_675 ?
W2 O7 1.79(3) 2_765 ?
W2 Na2 3.50(2) . ?
W2 Na2 3.50(2) 3_675 ?
W2 Na2 3.50(2) 2_765 ?
W3 O22 1.736(17) . ?
W3 O12 1.798(18) . ?
W3 O10 1.849(19) . ?
W3 O16 1.98(2) . ?
W3 O11 2.082(17) . ?
W3 O15 2.290(16) . ?
W4 O13 1.68(3) . ?
W4 O5 1.88(2) . ?
W4 O5 1.88(2) 4_775 ?
W4 O17 1.965(17) 4_775 ?
W4 O17 1.965(17) . ?
W4 O9 2.39(2) . ?
W5 O23 1.736(18) . ?
W5 O11 1.826(19) . ?
W5 O17 1.873(17) . ?
W5 O2 1.919(6) . ?
W5 O21 1.96(2) . ?
W5 O15 2.302(17) . ?
W5 Na1 3.645(15) 8_665 ?
W6 O3 1.75(2) . ?
W6 O4 1.850(18) . ?
W6 O8 1.941(9) . ?
W6 O16 1.948(18) . ?
W6 O21 1.980(17) . ?
W6 O15 2.253(17) . ?
W6 Na2 3.689(10) . ?
Tb1 O7 2.28(3) . ?
Tb1 O1W 2.36(4) . ?
Tb1 O1 2.376(18) 6_565 ?
Tb1 O1 2.376(18) . ?
Tb1 O12 2.40(2) 6_565 ?
Tb1 O12 2.40(2) . ?
Tb1 O14 2.42(3) . ?
Tb1 O19 2.44(3) . ?
Tb1 C1 2.82(4) . ?
Tb1 Na2 3.38(2) . ?
Sb1 O9 1.92(3) . ?
Sb1 O15 2.012(18) 4_775 ?
Sb1 O15 2.012(18) . ?
Na1 O14 2.31(3) . ?
Na1 O22 2.35(2) . ?
Na1 O22 2.35(2) 6_565 ?
Na1 O9W 2.51(3) . ?
Na1 O2 2.75(3) 15_564 ?
Na1 O23 2.93(2) 15_564 ?
Na1 O23 2.93(2) 17_544 ?
Na1 W5 3.645(15) 15_564 ?
Na1 W5 3.645(15) 17_544 ?
Na2 O4 2.30(2) . ?
Na2 O4 2.30(2) 6_565 ?
Na2 O12 2.39(3) 6_565 ?
Na2 O12 2.39(3) . ?
Na2 O7 2.40(5) . ?
Na2 W6 3.689(10) 6_565 ?
Na3 O2W 2.29(4) . ?
Na3 O4W 2.34(5) . ?
Na3 O5W 2.35(5) . ?
Na3 O6W 2.39(4) . ?
Na3 O3W 2.49(4) . ?
Na3 O8W 2.72(4) 8_665 ?
O8W Na3 2.72(4) 15_564 ?
O2 W5 1.919(6) 4_775 ?
O2 Na1 2.75(3) 8_665 ?
O8 W6 1.941(9) 4_775 ?
O9 W1 2.31(2) 4_775 ?
O14 C1 1.26(5) . ?
O19 C1 1.25(5) . ?
O20 W1 1.915(14) 4_775 ?
O23 Na1 2.93(2) 8_665 ?
C1 C2 1.61(7) . ?

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
O6 W1 O1 104.5(9) . . ?
O6 W1 O20 100.5(11) . . ?
O1 W1 O20 93.0(10) . . ?
O6 W1 O10 102.2(10) . . ?
O1 W1 O10 88.5(8) . . ?
O20 W1 O10 156.1(9) . . ?
O6 W1 O5 96.4(9) . . ?
O1 W1 O5 158.9(8) . . ?
O20 W1 O5 85.9(10) . . ?
O10 W1 O5 84.2(8) . . ?
O6 W1 O9 168.4(9) . . ?
O1 W1 O9 85.7(8) . . ?
O20 W1 O9 72.9(10) . . ?
O10 W1 O9 83.4(7) . . ?
O5 W1 O9 73.8(8) . . ?
O18 W2 O7 107.5(15) . . ?
O18 W2 O7 107.5(15) . 3_675 ?
O7 W2 O7 111.4(14) . 3_675 ?
O18 W2 O7 107.5(15) . 2_765 ?
O7 W2 O7 111.4(14) . 2_765 ?
O7 W2 O7 111.4(14) 3_675 2_765 ?
O18 W2 Na2 68.1(3) . . ?
O7 W2 Na2 39.4(15) . . ?
O7 W2 Na2 123.7(4) 3_675 . ?
O7 W2 Na2 123.7(4) 2_765 . ?
O18 W2 Na2 68.1(3) . 3_675 ?
O7 W2 Na2 123.7(4) . 3_675 ?
O7 W2 Na2 39.4(15) 3_675 3_675 ?
O7 W2 Na2 123.7(4) 2_765 3_675 ?
Na2 W2 Na2 107.0(4) . 3_675 ?
O18 W2 Na2 68.1(3) . 2_765 ?
O7 W2 Na2 123.7(4) . 2_765 ?
O7 W2 Na2 123.7(4) 3_675 2_765 ?
O7 W2 Na2 39.4(15) 2_765 2_765 ?
Na2 W2 Na2 107.0(4) . 2_765 ?
Na2 W2 Na2 107.0(4) 3_675 2_765 ?
O22 W3 O12 104.2(9) . . ?
O22 W3 O10 103.7(9) . . ?
O12 W3 O10 92.2(9) . . ?
O22 W3 O16 96.8(9) . . ?
O12 W3 O16 91.1(9) . . ?
O10 W3 O16 157.7(7) . . ?
O22 W3 O11 95.1(8) . . ?
O12 W3 O11 160.0(8) . . ?
O10 W3 O11 88.2(8) . . ?
O16 W3 O11 81.3(8) . . ?
O22 W3 O15 163.7(9) . . ?
O12 W3 O15 88.9(7) . . ?
O10 W3 O15 85.1(7) . . ?
O16 W3 O15 72.9(6) . . ?
O11 W3 O15 71.2(7) . . ?
O13 W4 O5 102.3(9) . . ?
O13 W4 O5 102.3(9) . 4_775 ?
O5 W4 O5 93.2(12) . 4_775 ?
O13 W4 O17 98.1(9) . 4_775 ?
O5 W4 O17 158.8(7) . 4_775 ?
O5 W4 O17 88.4(8) 4_775 4_775 ?
O13 W4 O17 98.1(9) . . ?
O5 W4 O17 88.4(8) . . ?
O5 W4 O17 158.8(7) 4_775 . ?
O17 W4 O17 82.6(10) 4_775 . ?
O13 W4 O9 175.2(12) . . ?
O5 W4 O9 74.6(7) . . ?
O5 W4 O9 74.6(7) 4_775 . ?
O17 W4 O9 85.5(7) 4_775 . ?
O17 W4 O9 85.5(7) . . ?
O23 W5 O11 101.0(8) . . ?
O23 W5 O17 101.1(9) . . ?
O11 W5 O17 92.6(8) . . ?
O23 W5 O2 98.6(9) . . ?
O11 W5 O2 160.3(8) . . ?
O17 W5 O2 85.9(9) . . ?
O23 W5 O21 97.8(9) . . ?
O11 W5 O21 88.2(8) . . ?
O17 W5 O21 160.5(7) . . ?
O2 W5 O21 86.8(9) . . ?
O23 W5 O15 170.2(8) . . ?
O11 W5 O15 75.3(7) . . ?
O17 W5 O15 88.2(7) . . ?
O2 W5 O15 85.0(8) . . ?
O21 W5 O15 73.2(6) . . ?
O23 W5 Na1 52.4(7) . 8_665 ?
O11 W5 Na1 149.8(6) . 8_665 ?
O17 W5 Na1 105.5(6) . 8_665 ?
O2 W5 Na1 47.9(7) . 8_665 ?
O21 W5 Na1 82.6(6) . 8_665 ?
O15 W5 Na1 128.1(4) . 8_665 ?
O3 W6 O4 103.2(10) . . ?
O3 W6 O8 99.8(11) . . ?
O4 W6 O8 90.3(10) . . ?
O3 W6 O16 98.6(9) . . ?
O4 W6 O16 92.4(8) . . ?
O8 W6 O16 160.3(10) . . ?
O3 W6 O21 95.9(9) . . ?
O4 W6 O21 160.9(9) . . ?
O8 W6 O21 85.6(10) . . ?
O16 W6 O21 85.5(8) . . ?
O3 W6 O15 167.7(8) . . ?
O4 W6 O15 87.3(8) . . ?
O8 W6 O15 86.3(9) . . ?
O16 W6 O15 74.3(7) . . ?
O21 W6 O15 73.8(7) . . ?
O3 W6 Na2 100.5(7) . . ?
O4 W6 Na2 30.7(6) . . ?
O8 W6 Na2 120.6(9) . . ?
O16 W6 Na2 62.4(7) . . ?
O21 W6 Na2 145.6(6) . . ?
O15 W6 Na2 85.2(5) . . ?
O7 Tb1 O1W 71(2) . . ?
O7 Tb1 O1 95.6(5) . 6_565 ?
O1W Tb1 O1 77.5(6) . 6_565 ?
O7 Tb1 O1 95.6(5) . . ?
O1W Tb1 O1 77.5(6) . . ?
O1 Tb1 O1 147.4(10) 6_565 . ?
O7 Tb1 O12 77.5(10) . 6_565 ?
O1W Tb1 O12 132.0(13) . 6_565 ?
O1 Tb1 O12 70.7(7) 6_565 6_565 ?
O1 Tb1 O12 141.8(6) . 6_565 ?
O7 Tb1 O12 77.5(10) . . ?
O1W Tb1 O12 132.0(13) . . ?
O1 Tb1 O12 141.8(6) 6_565 . ?
O1 Tb1 O12 70.7(7) . . ?
O12 Tb1 O12 71.1(9) 6_565 . ?
O7 Tb1 O14 154.9(14) . . ?
O1W Tb1 O14 134(2) . . ?
O1 Tb1 O14 91.3(5) 6_565 . ?
O1 Tb1 O14 91.3(5) . . ?
O12 Tb1 O14 82.1(8) 6_565 . ?
O12 Tb1 O14 82.1(8) . . ?
O7 Tb1 O19 152.5(14) . . ?
O1W Tb1 O19 82(2) . . ?
O1 Tb1 O19 78.0(5) 6_565 . ?
O1 Tb1 O19 78.0(5) . . ?
O12 Tb1 O19 123.6(7) 6_565 . ?
O12 Tb1 O19 123.6(7) . . ?
O14 Tb1 O19 52.6(11) . . ?
O7 Tb1 C1 178.7(14) . . ?
O1W Tb1 C1 108(2) . . ?
O1 Tb1 C1 84.0(5) 6_565 . ?
O1 Tb1 C1 84.0(5) . . ?
O12 Tb1 C1 103.5(8) 6_565 . ?
O12 Tb1 C1 103.5(8) . . ?
O14 Tb1 C1 26.4(11) . . ?
O19 Tb1 C1 26.2(10) . . ?
O7 Tb1 Na2 45.1(12) . . ?
O1W Tb1 Na2 115.8(19) . . ?
O1 Tb1 Na2 104.8(5) 6_565 . ?
O1 Tb1 Na2 104.8(5) . . ?
O12 Tb1 Na2 44.9(5) 6_565 . ?
O12 Tb1 Na2 44.9(5) . . ?
O14 Tb1 Na2 109.8(9) . . ?
O19 Tb1 Na2 162.4(8) . . ?
C1 Tb1 Na2 136.2(8) . . ?
O9 Sb1 O15 90.2(8) . 4_775 ?
O9 Sb1 O15 90.2(8) . . ?
O15 Sb1 O15 90.0(9) 4_775 . ?
O14 Na1 O22 90.4(9) . . ?
O14 Na1 O22 90.4(9) . 6_565 ?
O22 Na1 O22 94.9(12) . 6_565 ?
O14 Na1 O9W 172.7(15) . . ?
O22 Na1 O9W 84.6(9) . . ?
O22 Na1 O9W 84.6(9) 6_565 . ?
O14 Na1 O2 116.3(13) . 15_564 ?
O22 Na1 O2 127.1(6) . 15_564 ?
O22 Na1 O2 127.1(6) 6_565 15_564 ?
O9W Na1 O2 71.0(10) . 15_564 ?
O14 Na1 O23 88.7(8) . 15_564 ?
O22 Na1 O23 79.3(6) . 15_564 ?
O22 Na1 O23 174.1(9) 6_565 15_564 ?
O9W Na1 O23 95.7(7) . 15_564 ?
O2 Na1 O23 58.3(5) 15_564 15_564 ?
O14 Na1 O23 88.7(8) . 17_544 ?
O22 Na1 O23 174.0(9) . 17_544 ?
O22 Na1 O23 79.3(6) 6_565 17_544 ?
O9W Na1 O23 95.7(7) . 17_544 ?
O2 Na1 O23 58.3(5) 15_564 17_544 ?
O23 Na1 O23 106.6(10) 15_564 17_544 ?
O14 Na1 W5 107.6(10) . 15_564 ?
O22 Na1 W5 99.6(5) . 15_564 ?
O22 Na1 W5 156.6(7) 6_565 15_564 ?
O9W Na1 W5 78.6(7) . 15_564 ?
O2 Na1 W5 31.13(16) 15_564 15_564 ?
O23 Na1 W5 28.0(4) 15_564 15_564 ?
O23 Na1 W5 86.2(6) 17_544 15_564 ?
O14 Na1 W5 107.6(10) . 17_544 ?
O22 Na1 W5 156.6(7) . 17_544 ?
O22 Na1 W5 99.6(5) 6_565 17_544 ?
O9W Na1 W5 78.6(7) . 17_544 ?
O2 Na1 W5 31.12(17) 15_564 17_544 ?
O23 Na1 W5 86.2(6) 15_564 17_544 ?
O23 Na1 W5 28.0(4) 17_544 17_544 ?
W5 Na1 W5 61.3(3) 15_564 17_544 ?
O4 Na2 O4 122.3(13) . 6_565 ?
O4 Na2 O12 154.2(9) . 6_565 ?
O4 Na2 O12 83.0(7) 6_565 6_565 ?
O4 Na2 O12 83.0(7) . . ?
O4 Na2 O12 154.2(9) 6_565 . ?
O12 Na2 O12 71.4(11) 6_565 . ?
O4 Na2 O7 101.7(8) . . ?
O4 Na2 O7 101.7(8) 6_565 . ?
O12 Na2 O7 75.5(10) 6_565 . ?
O12 Na2 O7 75.5(10) . . ?
O4 Na2 Tb1 116.4(7) . . ?
O4 Na2 Tb1 116.4(7) 6_565 . ?
O12 Na2 Tb1 45.1(6) 6_565 . ?
O12 Na2 Tb1 45.1(6) . . ?
O7 Na2 Tb1 42.4(8) . . ?
O4 Na2 W2 88.4(7) . . ?
O4 Na2 W2 88.4(7) 6_565 . ?
O12 Na2 W2 98.4(8) 6_565 . ?
O12 Na2 W2 98.4(8) . . ?
O7 Na2 W2 28.3(7) . . ?
Tb1 Na2 W2 70.7(4) . . ?
O4 Na2 W6 24.2(5) . . ?
O4 Na2 W6 129.5(9) 6_565 . ?
O12 Na2 W6 135.2(7) 6_565 . ?
O12 Na2 W6 71.2(5) . . ?
O7 Na2 W6 117.2(3) . . ?
Tb1 Na2 W6 114.0(3) . . ?
W2 Na2 W6 110.7(3) . . ?
O4 Na2 W6 129.5(9) . 6_565 ?
O4 Na2 W6 24.2(5) 6_565 6_565 ?
O12 Na2 W6 71.2(5) 6_565 6_565 ?
O12 Na2 W6 135.2(7) . 6_565 ?
O7 Na2 W6 117.2(3) . 6_565 ?
Tb1 Na2 W6 114.0(3) . 6_565 ?
W2 Na2 W6 110.7(3) . 6_565 ?
W6 Na2 W6 124.2(6) . 6_565 ?
O2W Na3 O4W 176.9(17) . . ?
O2W Na3 O5W 94.4(16) . . ?
O4W Na3 O5W 84.0(16) . . ?
O2W Na3 O6W 101.6(14) . . ?
O4W Na3 O6W 81.3(14) . . ?
O5W Na3 O6W 94.3(15) . . ?
O2W Na3 O3W 88.6(14) . . ?
O4W Na3 O3W 92.9(15) . . ?
O5W Na3 O3W 175.3(18) . . ?
O6W Na3 O3W 88.7(14) . . ?
O2W Na3 O8W 134.4(14) . 8_665 ?
O4W Na3 O8W 48.3(14) . 8_665 ?
O5W Na3 O8W 125.1(16) . 8_665 ?
O6W Na3 O8W 58.4(12) . 8_665 ?
O3W Na3 O8W 53.8(12) . 8_665 ?
W1 O1 Tb1 142.5(9) . . ?
W5 O2 W5 150.8(13) 4_775 . ?
W5 O2 Na1 101.0(7) 4_775 8_665 ?
W5 O2 Na1 101.0(7) . 8_665 ?
W6 O4 Na2 125.1(10) . . ?
W4 O5 W1 119.5(9) . . ?
W2 O7 Tb1 155(3) . . ?
W2 O7 Na2 112(2) . . ?
Tb1 O7 Na2 92.5(12) . . ?
W6 O8 W6 146.9(18) 4_775 . ?
Sb1 O9 W1 114.8(8) . . ?
Sb1 O9 W1 114.8(8) . 4_775 ?
W1 O9 W1 92.5(11) . 4_775 ?
Sb1 O9 W4 140.0(15) . . ?
W1 O9 W4 91.9(8) . . ?
W1 O9 W4 91.9(8) 4_775 . ?
W3 O10 W1 148.4(10) . . ?
W5 O11 W3 118.8(9) . . ?
W3 O12 Na2 126.9(13) . . ?
W3 O12 Tb1 140.4(11) . . ?
Na2 O12 Tb1 90.0(8) . . ?
C1 O14 Na1 130(3) . . ?
C1 O14 Tb1 95(2) . . ?
Na1 O14 Tb1 135.4(18) . . ?
Sb1 O15 W6 113.4(8) . . ?
Sb1 O15 W3 112.6(8) . . ?
W6 O15 W3 95.0(6) . . ?
Sb1 O15 W5 137.5(8) . . ?
W6 O15 W5 95.3(7) . . ?
W3 O15 W5 94.4(6) . . ?
W6 O16 W3 117.0(9) . . ?
W5 O17 W4 152.3(10) . . ?
C1 O19 Tb1 94(2) . . ?
W1 O20 W1 121.3(15) 4_775 . ?
W5 O21 W6 117.6(9) . . ?
W3 O22 Na1 136.0(12) . . ?
W5 O23 Na1 99.6(8) . 8_665 ?
O19 C1 O14 118(3) . . ?
O19 C1 C2 122(4) . . ?
O14 C1 C2 120(4) . . ?
O19 C1 Tb1 59(2) . . ?
O14 C1 Tb1 58.6(19) . . ?
C2 C1 Tb1 179(3) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        24.99
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         3.497
_refine_diff_density_min         -3.675
_refine_diff_density_rms         0.433
