# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2021

####################################################################### 
# 
# 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 2071292'
loop_
_audit_author_name
_audit_author_address
NaSeO
;tongji university
China
;
_audit_update_record             
;
2021-03-18 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'H7 Na5 O18 Se4'
_chemical_formula_weight         725.85

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 '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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   Cc

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

_cell_length_a                   18.2486(12)
_cell_length_b                   13.0800(9)
_cell_length_c                   7.0361(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.312(2)
_cell_angle_gamma                90.00
_cell_volume                     1640.83(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8445
_cell_measurement_theta_min      3.12
_cell_measurement_theta_max      26.38

_exptl_crystal_description       Needle-like
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.938
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1368
_exptl_absorpt_coefficient_mu    9.168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3978
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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-CCD
_diffrn_measurement_method       'w scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14192
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_theta_min         3.11
_diffrn_reflns_theta_max         26.40
_reflns_number_total             3117
_reflns_number_gt                2781
_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)+(0.0322P)²+23.1887P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_number_reflns         3117
_refine_ls_number_parameters     256
_refine_ls_number_restraints     68
_refine_ls_R_factor_all          0.0378
_refine_ls_R_factor_gt           0.0301
_refine_ls_wR_factor_ref         0.0836
_refine_ls_wR_factor_gt          0.0721
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Se1 Se -0.20706(7) 0.11101(11) -0.3183(2) 0.0155(4) Uani 1 1 d . . .
Se2 Se -0.32023(7) 0.38887(11) -0.67773(19) 0.0146(3) Uani 1 1 d . . .
Se3 Se -0.11120(6) 0.37187(10) -0.95654(15) 0.0092(3) Uani 1 1 d . . .
Se4 Se -0.41617(6) 0.12835(11) -0.04059(16) 0.0112(3) Uani 1 1 d . . .
O1 O -0.1664(7) 0.1772(8) -0.4592(16) 0.024(3) Uani 1 1 d . . .
O2 O -0.2142(5) 0.1762(7) -0.1315(13) 0.024(2) Uani 1 1 d U . .
O3 O -0.2917(6) 0.0817(8) -0.4531(18) 0.033(3) Uani 1 1 d . . .
H3 H -0.3013 0.0217 -0.4352 0.049 Uiso 1 1 calc R . .
O4 O -0.1655(6) 0.0055(9) -0.2508(14) 0.026(3) Uani 1 1 d . . .
O5 O -0.3602(7) 0.3250(8) -0.5329(16) 0.022(3) Uani 1 1 d . . .
O6 O -0.3020(5) 0.3176(6) -0.8499(12) 0.020(2) Uani 1 1 d U . .
O7 O -0.3610(6) 0.4983(8) -0.7353(14) 0.024(2) Uani 1 1 d . . .
O8 O -0.2335(6) 0.4133(9) -0.5343(16) 0.024(2) Uani 1 1 d U . .
H8 H -0.2262 0.4752 -0.5284 0.036 Uiso 1 1 calc R . .
O9 O -0.1915(5) 0.4042(7) -1.0833(14) 0.013(2) Uani 1 1 d U . .
O10 O -0.0569(6) 0.3228(9) -1.0916(15) 0.020(2) Uani 1 1 d . . .
O11 O -0.1155(5) 0.2954(7) -0.7753(12) 0.012(2) Uani 1 1 d U . .
O12 O -0.0772(5) 0.4825(7) -0.8503(12) 0.016(2) Uani 1 1 d U . .
H12A H -0.0345 0.4715 -0.7769 0.024 Uiso 1 1 d R . .
O13 O -0.3353(6) 0.0940(8) 0.1033(16) 0.026(3) Uani 1 1 d . . .
O14 O -0.4690(6) 0.1747(8) 0.0939(14) 0.016(2) Uani 1 1 d U . .
O15 O -0.4069(6) 0.2047(8) -0.2114(15) 0.027(3) Uani 1 1 d U . .
O16 O -0.4533(5) 0.0164(7) -0.1240(12) 0.016(2) Uani 1 1 d U . .
O1W O -0.0187(4) 0.1157(5) -0.1119(12) 0.0371(16) Uani 1 1 d D . .
H1WA H -0.005(7) 0.096(8) 0.002(5) 0.056 Uiso 1 1 d D . .
H1WB H -0.043(6) 0.169(5) -0.123(14) 0.056 Uiso 1 1 d D . .
O2W O -0.0079(7) 0.1076(7) -0.6408(19) 0.078(3) Uani 1 1 d D . .
H2WA H -0.035(7) 0.159(7) -0.68(3) 0.117 Uiso 1 1 d D . .
H2WB H 0.037(4) 0.135(11) -0.60(3) 0.117 Uiso 1 1 d D . .
Na1 Na -0.1055(4) 0.3417(5) -0.4344(10) 0.0213(14) Uani 1 1 d . . .
Na2 Na -0.3090(4) 0.3274(4) -0.1908(11) 0.0182(13) Uani 1 1 d . . .
Na3 Na -0.2181(4) 0.1723(4) -0.8012(11) 0.0208(14) Uani 1 1 d . . .
Na4 Na -0.4199(4) 0.1630(5) -0.5571(10) 0.0224(14) Uani 1 1 d U . .
Na5 Na -0.0604(3) 0.0151(3) -0.4173(7) 0.0472(11) Uani 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
Se1 O2 1.595(9) . ?
Se1 O4 1.597(12) . ?
Se1 O1 1.612(11) . ?
Se1 O3 1.675(11) . ?
Se1 Na5 3.165(5) . ?
Se1 Na3 3.455(8) . ?
Se2 O5 1.608(11) . ?
Se2 O6 1.618(8) . ?
Se2 O7 1.623(10) . ?
Se2 O8 1.717(11) . ?
Se2 Na2 3.483(7) . ?
Se3 O9 1.601(10) . ?
Se3 O11 1.635(8) . ?
Se3 O10 1.643(10) . ?
Se3 O12 1.685(9) . ?
Se3 Na1 3.409(7) 1_554 ?
Se4 O15 1.599(10) . ?
Se4 O14 1.607(10) . ?
Se4 O13 1.663(10) . ?
Se4 O16 1.667(9) . ?
Se4 Na4 3.447(7) 1_556 ?
O1 Na3 2.391(14) . ?
O1 Na1 2.410(12) . ?
O1 Na5 2.843(12) . ?
O2 Na3 2.341(12) 1_556 ?
O2 Na2 2.601(10) . ?
O3 Na4 2.532(13) . ?
O3 H3 0.8200 . ?
O4 Na5 2.455(11) . ?
O4 Na3 2.513(13) 2 ?
O4 Na5 2.709(11) 2 ?
O5 Na4 2.372(12) . ?
O5 Na2 2.389(13) . ?
O6 Na2 2.378(12) 1_554 ?
O6 Na3 2.418(11) . ?
O7 Na2 2.465(12) 2_564 ?
O8 Na1 2.475(13) . ?
O8 H8 0.8200 . ?
O9 Na2 2.342(11) 1_554 ?
O10 Na1 2.399(12) 1_554 ?
O10 Na4 2.466(12) 4_554 ?
O11 Na1 2.443(10) . ?
O11 Na3 2.447(10) . ?
O12 Na1 2.403(11) 2_564 ?
O12 H12A 0.8500 . ?
O13 Na3 2.337(12) 1_556 ?
O14 Na4 2.433(12) 1_556 ?
O14 Na1 2.465(12) 4_455 ?
O15 Na2 2.383(12) . ?
O15 Na4 2.455(12) . ?
O16 Na4 2.444(11) 2 ?
O1W Na5 2.413(8) 2 ?
O1W Na5 2.497(9) . ?
O1W H1WA 0.832(10) . ?
O1W H1WB 0.825(10) . ?
O2W Na5 2.344(11) . ?
O2W Na5 2.546(12) 2_554 ?
O2W H2WA 0.850(10) . ?
O2W H2WB 0.882(11) . ?
Na1 O10 2.399(12) 1_556 ?
Na1 O12 2.403(11) 2_565 ?
Na1 O14 2.465(12) 4_554 ?
Na1 Se3 3.409(7) 1_556 ?
Na1 Na3 3.679(8) . ?
Na1 Na4 3.832(3) 4 ?
Na2 O9 2.342(11) 1_556 ?
Na2 O6 2.378(12) 1_556 ?
Na2 O7 2.465(12) 2_565 ?
Na2 Na3 3.526(3) 1_556 ?
Na2 Na4 3.625(9) . ?
Na3 O13 2.337(12) 1_554 ?
Na3 O2 2.341(12) 1_554 ?
Na3 O4 2.513(13) 2_554 ?
Na3 Na2 3.526(3) 1_554 ?
Na3 Na5 3.995(8) 2_554 ?
Na3 Na5 4.062(9) . ?
Na4 O14 2.433(12) 1_554 ?
Na4 O16 2.444(11) 2_554 ?
Na4 O10 2.466(12) 4_455 ?
Na4 Se4 3.447(7) 1_554 ?
Na4 Na1 3.832(3) 4_454 ?
Na5 O1W 2.413(8) 2_554 ?
Na5 O2W 2.546(12) 2 ?
Na5 O4 2.709(11) 2_554 ?
Na5 Na5 3.5400(9) 2_554 ?
Na5 Na5 3.5400(9) 2 ?
Na5 Na3 3.995(8) 2 ?

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
O2 Se1 O4 109.5(5) . . ?
O2 Se1 O1 110.4(5) . . ?
O4 Se1 O1 113.3(6) . . ?
O2 Se1 O3 111.2(6) . . ?
O4 Se1 O3 107.0(5) . . ?
O1 Se1 O3 105.4(6) . . ?
O2 Se1 Na5 127.9(3) . . ?
O4 Se1 Na5 49.7(4) . . ?
O1 Se1 Na5 63.6(4) . . ?
O3 Se1 Na5 120.4(5) . . ?
O2 Se1 Na3 133.5(4) . . ?
O4 Se1 Na3 114.7(4) . . ?
O1 Se1 Na3 37.7(4) . . ?
O3 Se1 Na3 69.1(4) . . ?
Na5 Se1 Na3 75.54(15) . . ?
O5 Se2 O6 111.6(5) . . ?
O5 Se2 O7 111.8(6) . . ?
O6 Se2 O7 118.5(5) . . ?
O5 Se2 O8 102.2(6) . . ?
O6 Se2 O8 103.6(5) . . ?
O7 Se2 O8 107.4(6) . . ?
O5 Se2 Na2 36.5(4) . . ?
O6 Se2 Na2 128.7(3) . . ?
O7 Se2 Na2 112.1(4) . . ?
O8 Se2 Na2 67.1(4) . . ?
O9 Se3 O11 113.9(5) . . ?
O9 Se3 O10 112.0(5) . . ?
O11 Se3 O10 110.3(5) . . ?
O9 Se3 O12 103.1(5) . . ?
O11 Se3 O12 104.7(4) . . ?
O10 Se3 O12 112.4(5) . . ?
O9 Se3 Na1 72.4(4) . 1_554 ?
O11 Se3 Na1 135.6(3) . 1_554 ?
O10 Se3 Na1 40.1(4) . 1_554 ?
O12 Se3 Na1 116.8(3) . 1_554 ?
O15 Se4 O14 112.3(5) . . ?
O15 Se4 O13 113.8(6) . . ?
O14 Se4 O13 108.0(6) . . ?
O15 Se4 O16 112.6(5) . . ?
O14 Se4 O16 106.8(5) . . ?
O13 Se4 O16 102.6(5) . . ?
O15 Se4 Na4 133.4(4) . 1_556 ?
O14 Se4 Na4 39.5(4) . 1_556 ?
O13 Se4 Na4 68.7(4) . 1_556 ?
O16 Se4 Na4 111.8(3) . 1_556 ?
Se1 O1 Na3 118.0(6) . . ?
Se1 O1 Na1 134.5(7) . . ?
Na3 O1 Na1 100.0(5) . . ?
Se1 O1 Na5 85.9(4) . . ?
Na3 O1 Na5 101.4(5) . . ?
Na1 O1 Na5 111.4(5) . . ?
Se1 O2 Na3 146.3(5) . 1_556 ?
Se1 O2 Na2 116.3(5) . . ?
Na3 O2 Na2 90.9(4) 1_556 . ?
Se1 O3 Na4 138.7(6) . . ?
Se1 O3 H3 109.5 . . ?
Na4 O3 H3 103.4 . . ?
Se1 O4 Na5 100.6(5) . . ?
Se1 O4 Na3 128.0(6) . 2 ?
Na5 O4 Na3 107.1(5) . 2 ?
Se1 O4 Na5 123.2(6) . 2 ?
Na5 O4 Na5 86.4(3) . 2 ?
Na3 O4 Na5 102.1(4) 2 2 ?
Se2 O5 Na4 133.0(6) . . ?
Se2 O5 Na2 119.9(6) . . ?
Na4 O5 Na2 99.2(5) . . ?
Se2 O6 Na2 138.5(5) . 1_554 ?
Se2 O6 Na3 124.9(5) . . ?
Na2 O6 Na3 94.7(4) 1_554 . ?
Se2 O7 Na2 129.8(6) . 2_564 ?
Se2 O8 Na1 142.5(7) . . ?
Se2 O8 H8 109.5 . . ?
Na1 O8 H8 103.1 . . ?
Se3 O9 Na2 137.1(6) . 1_554 ?
Se3 O10 Na1 113.7(6) . 1_554 ?
Se3 O10 Na4 129.6(6) . 4_554 ?
Na1 O10 Na4 103.9(4) 1_554 4_554 ?
Se3 O11 Na1 127.5(5) . . ?
Se3 O11 Na3 120.5(5) . . ?
Na1 O11 Na3 97.6(4) . . ?
Se3 O12 Na1 132.3(5) . 2_564 ?
Se3 O12 H12A 109.1 . . ?
Na1 O12 H12A 115.6 2_564 . ?
Se4 O13 Na3 134.1(7) . 1_556 ?
Se4 O14 Na4 115.6(5) . 1_556 ?
Se4 O14 Na1 130.0(5) . 4_455 ?
Na4 O14 Na1 103.0(4) 1_556 4_455 ?
Se4 O15 Na2 125.0(6) . . ?
Se4 O15 Na4 127.0(6) . . ?
Na2 O15 Na4 97.1(4) . . ?
Se4 O16 Na4 135.2(5) . 2 ?
Na5 O1W Na5 92.3(2) 2 . ?
Na5 O1W H1WA 45(9) 2 . ?
Na5 O1W H1WA 130(8) . . ?
Na5 O1W H1WB 115(8) 2 . ?
Na5 O1W H1WB 108(7) . . ?
H1WA O1W H1WB 114(2) . . ?
Na5 O2W Na5 92.7(3) . 2_554 ?
Na5 O2W H2WA 109(10) . . ?
Na5 O2W H2WA 98(10) 2_554 . ?
Na5 O2W H2WB 116(10) . . ?
Na5 O2W H2WB 134(10) 2_554 . ?
H2WA O2W H2WB 103.5(17) . . ?
O10 Na1 O12 80.6(4) 1_556 2_565 ?
O10 Na1 O1 92.7(5) 1_556 . ?
O12 Na1 O1 160.6(5) 2_565 . ?
O10 Na1 O11 153.7(4) 1_556 . ?
O12 Na1 O11 116.5(4) 2_565 . ?
O1 Na1 O11 76.8(4) . . ?
O10 Na1 O14 76.1(3) 1_556 4_554 ?
O12 Na1 O14 84.5(4) 2_565 4_554 ?
O1 Na1 O14 111.7(4) . 4_554 ?
O11 Na1 O14 85.4(4) . 4_554 ?
O10 Na1 O8 116.7(4) 1_556 . ?
O12 Na1 O8 81.2(4) 2_565 . ?
O1 Na1 O8 85.7(4) . . ?
O11 Na1 O8 86.9(4) . . ?
O14 Na1 O8 158.7(4) 4_554 . ?
O10 Na1 Se3 26.2(2) 1_556 1_556 ?
O12 Na1 Se3 72.3(2) 2_565 1_556 ?
O1 Na1 Se3 93.7(4) . 1_556 ?
O11 Na1 Se3 170.3(3) . 1_556 ?
O14 Na1 Se3 100.0(3) 4_554 1_556 ?
O8 Na1 Se3 90.6(3) . 1_556 ?
O10 Na1 Na3 132.5(4) 1_556 . ?
O12 Na1 Na3 143.9(3) 2_565 . ?
O1 Na1 Na3 39.8(3) . . ?
O11 Na1 Na3 41.2(2) . . ?
O14 Na1 Na3 114.1(3) 4_554 . ?
O8 Na1 Na3 71.1(3) . . ?
Se3 Na1 Na3 129.2(2) 1_556 . ?
O10 Na1 Na4 38.7(3) 1_556 4 ?
O12 Na1 Na4 74.5(3) 2_565 4 ?
O1 Na1 Na4 111.2(4) . 4 ?
O11 Na1 Na4 123.1(3) . 4 ?
O14 Na1 Na4 38.2(3) 4_554 4 ?
O8 Na1 Na4 147.5(4) . 4 ?
Se3 Na1 Na4 61.78(13) 1_556 4 ?
Na3 Na1 Na4 139.1(3) . 4 ?
O9 Na2 O6 81.3(4) 1_556 1_556 ?
O9 Na2 O15 158.7(5) 1_556 . ?
O6 Na2 O15 84.5(4) 1_556 . ?
O9 Na2 O5 117.8(4) 1_556 . ?
O6 Na2 O5 160.1(5) 1_556 . ?
O15 Na2 O5 78.6(4) . . ?
O9 Na2 O7 86.8(4) 1_556 2_565 ?
O6 Na2 O7 96.6(4) 1_556 2_565 ?
O15 Na2 O7 110.6(4) . 2_565 ?
O5 Na2 O7 80.0(4) . 2_565 ?
O9 Na2 O2 75.1(4) 1_556 . ?
O6 Na2 O2 84.6(4) 1_556 . ?
O15 Na2 O2 87.8(3) . . ?
O5 Na2 O2 104.8(4) . . ?
O7 Na2 O2 161.6(4) 2_565 . ?
O9 Na2 Se2 94.4(3) 1_556 . ?
O6 Na2 Se2 169.7(3) 1_556 . ?
O15 Na2 Se2 102.1(4) . . ?
O5 Na2 Se2 23.6(3) . . ?
O7 Na2 Se2 73.8(3) 2_565 . ?
O2 Na2 Se2 103.4(3) . . ?
O9 Na2 Na3 75.5(3) 1_556 1_556 ?
O6 Na2 Na3 43.1(2) 1_556 1_556 ?
O15 Na2 Na3 83.2(3) . 1_556 ?
O5 Na2 Na3 142.5(3) . 1_556 ?
O7 Na2 Na3 137.3(3) 2_565 1_556 ?
O2 Na2 Na3 41.6(3) . 1_556 ?
Se2 Na2 Na3 144.78(13) . 1_556 ?
O9 Na2 Na4 144.9(3) 1_556 . ?
O6 Na2 Na4 126.0(3) 1_556 . ?
O15 Na2 Na4 42.2(3) . . ?
O5 Na2 Na4 40.2(3) . . ?
O7 Na2 Na4 108.5(3) 2_565 . ?
O2 Na2 Na4 85.1(3) . . ?
Se2 Na2 Na4 62.00(14) . . ?
Na3 Na2 Na4 108.08(16) 1_556 . ?
O13 Na3 O2 86.8(5) 1_554 1_554 ?
O13 Na3 O1 116.2(5) 1_554 . ?
O2 Na3 O1 155.4(5) 1_554 . ?
O13 Na3 O6 77.9(4) 1_554 . ?
O2 Na3 O6 89.7(4) 1_554 . ?
O1 Na3 O6 102.9(4) . . ?
O13 Na3 O11 161.6(5) 1_554 . ?
O2 Na3 O11 82.8(4) 1_554 . ?
O1 Na3 O11 77.0(4) . . ?
O6 Na3 O11 86.8(3) . . ?
O13 Na3 O4 86.2(4) 1_554 2_554 ?
O2 Na3 O4 93.9(4) 1_554 2_554 ?
O1 Na3 O4 80.0(4) . 2_554 ?
O6 Na3 O4 163.5(5) . 2_554 ?
O11 Na3 O4 109.6(4) . 2_554 ?
O13 Na3 Se1 92.2(4) 1_554 . ?
O2 Na3 Se1 166.8(3) 1_554 . ?
O1 Na3 Se1 24.3(3) . . ?
O6 Na3 Se1 103.0(3) . . ?
O11 Na3 Se1 101.3(3) . . ?
O4 Na3 Se1 72.9(3) 2_554 . ?
O13 Na3 Na2 77.2(3) 1_554 1_554 ?
O2 Na3 Na2 47.5(3) 1_554 1_554 ?
O1 Na3 Na2 141.8(3) . 1_554 ?
O6 Na3 Na2 42.2(3) . 1_554 ?
O11 Na3 Na2 84.5(3) . 1_554 ?
O4 Na3 Na2 138.1(3) 2_554 1_554 ?
Se1 Na3 Na2 144.79(13) . 1_554 ?
O13 Na3 Na1 143.7(4) 1_554 . ?
O2 Na3 Na1 123.6(3) 1_554 . ?
O1 Na3 Na1 40.2(3) . . ?
O6 Na3 Na1 82.4(3) . . ?
O11 Na3 Na1 41.2(2) . . ?
O4 Na3 Na1 108.6(3) 2_554 . ?
Se1 Na3 Na1 62.81(14) . . ?
Na2 Na3 Na1 107.39(16) 1_554 . ?
O13 Na3 Na5 109.1(3) 1_554 2_554 ?
O2 Na3 Na5 68.6(3) 1_554 2_554 ?
O1 Na3 Na5 94.3(4) . 2_554 ?
O6 Na3 Na5 156.2(3) . 2_554 ?
O11 Na3 Na5 81.1(3) . 2_554 ?
O4 Na3 Na5 36.0(3) 2_554 2_554 ?
Se1 Na3 Na5 99.51(18) . 2_554 ?
Na2 Na3 Na5 115.70(14) 1_554 2_554 ?
Na1 Na3 Na5 101.18(19) . 2_554 ?
O13 Na3 Na5 116.4(4) 1_554 . ?
O2 Na3 Na5 120.3(3) 1_554 . ?
O1 Na3 Na5 43.3(3) . . ?
O6 Na3 Na5 146.1(3) . . ?
O11 Na3 Na5 82.0(3) . . ?
O4 Na3 Na5 40.7(3) 2_554 . ?
Se1 Na3 Na5 49.00(12) . . ?
Na2 Na3 Na5 163.18(13) 1_554 . ?
Na1 Na3 Na5 68.14(16) . . ?
Na5 Na3 Na5 52.12(10) 2_554 . ?
O5 Na4 O14 94.6(4) . 1_554 ?
O5 Na4 O16 164.4(5) . 2_554 ?
O14 Na4 O16 81.0(4) 1_554 2_554 ?
O5 Na4 O15 77.5(4) . . ?
O14 Na4 O15 157.4(5) 1_554 . ?
O16 Na4 O15 111.8(4) 2_554 . ?
O5 Na4 O10 112.3(5) . 4_455 ?
O14 Na4 O10 75.4(4) 1_554 4_455 ?
O16 Na4 O10 81.2(4) 2_554 4_455 ?
O15 Na4 O10 87.9(4) . 4_455 ?
O5 Na4 O3 88.4(5) . . ?
O14 Na4 O3 115.9(4) 1_554 . ?
O16 Na4 O3 80.2(4) 2_554 . ?
O15 Na4 O3 85.3(5) . . ?
O10 Na4 O3 156.2(4) 4_455 . ?
O5 Na4 Se4 94.8(4) . 1_554 ?
O14 Na4 Se4 24.9(3) 1_554 1_554 ?
O16 Na4 Se4 75.0(2) 2_554 1_554 ?
O15 Na4 Se4 171.6(4) . 1_554 ?
O10 Na4 Se4 98.4(3) 4_455 1_554 ?
O3 Na4 Se4 91.1(4) . 1_554 ?
O5 Na4 Na2 40.6(3) . . ?
O14 Na4 Na2 135.2(4) 1_554 . ?
O16 Na4 Na2 141.7(3) 2_554 . ?
O15 Na4 Na2 40.7(3) . . ?
O10 Na4 Na2 115.2(3) 4_455 . ?
O3 Na4 Na2 72.7(3) . . ?
Se4 Na4 Na2 130.9(2) 1_554 . ?
O5 Na4 Na1 112.9(4) . 4_454 ?
O14 Na4 Na1 38.8(3) 1_554 4_454 ?
O16 Na4 Na1 72.8(3) 2_554 4_454 ?
O15 Na4 Na1 125.1(3) . 4_454 ?
O10 Na4 Na1 37.4(3) 4_455 4_454 ?
O3 Na4 Na1 145.0(4) . 4_454 ?
Se4 Na4 Na1 60.97(14) 1_554 4_454 ?
Na2 Na4 Na1 141.2(3) . 4_454 ?
O2W Na5 O1W 76.2(3) . 2_554 ?
O2W Na5 O4 145.0(5) . . ?
O1W Na5 O4 127.4(4) 2_554 . ?
O2W Na5 O1W 102.2(3) . . ?
O1W Na5 O1W 141.9(4) 2_554 . ?
O4 Na5 O1W 75.0(3) . . ?
O2W Na5 O2W 134.2(6) . 2 ?
O1W Na5 O2W 82.8(3) 2_554 2 ?
O4 Na5 O2W 78.9(4) . 2 ?
O1W Na5 O2W 71.2(3) . 2 ?
O2W Na5 O4 77.6(4) . 2_554 ?
O1W Na5 O4 71.9(3) 2_554 2_554 ?
O4 Na5 O4 85.8(3) . 2_554 ?
O1W Na5 O4 145.8(3) . 2_554 ?
O2W Na5 O4 132.9(4) 2 2_554 ?
O2W Na5 O1 84.9(4) . . ?
O1W Na5 O1 139.5(4) 2_554 . ?
O4 Na5 O1 60.3(4) . . ?
O1W Na5 O1 76.8(3) . . ?
O2W Na5 O1 133.3(3) 2 . ?
O4 Na5 O1 69.1(3) 2_554 . ?
O2W Na5 Se1 115.4(3) . . ?
O1W Na5 Se1 142.2(3) 2_554 . ?
O4 Na5 Se1 29.7(3) . . ?
O1W Na5 Se1 73.64(19) . . ?
O2W Na5 Se1 106.2(3) 2 . ?
O4 Na5 Se1 75.8(2) 2_554 . ?
O1 Na5 Se1 30.5(2) . . ?
O2W Na5 Na5 45.9(3) . 2_554 ?
O1W Na5 Na5 44.8(2) 2_554 2_554 ?
O4 Na5 Na5 129.4(3) . 2_554 ?
O1W Na5 Na5 148.2(2) . 2_554 ?
O2W Na5 Na5 127.6(3) 2 2_554 ?
O4 Na5 Na5 43.8(2) 2_554 2_554 ?
O1 Na5 Na5 97.1(3) . 2_554 ?
Se1 Na5 Na5 116.23(11) . 2_554 ?
O2W Na5 Na5 144.1(3) . 2 ?
O1W Na5 Na5 123.5(3) 2_554 2 ?
O4 Na5 Na5 49.8(3) . 2 ?
O1W Na5 Na5 42.93(18) . 2 ?
O2W Na5 Na5 41.4(2) 2 2 ?
O4 Na5 Na5 134.4(2) 2_554 2 ?
O1 Na5 Na5 92.4(3) . 2 ?
Se1 Na5 Na5 69.28(10) . 2 ?
Na5 Na5 Na5 167.2(3) 2_554 2 ?
O2W Na5 Na3 150.3(4) . 2 ?
O1W Na5 Na3 90.5(2) 2_554 2 ?
O4 Na5 Na3 37.0(3) . 2 ?
O1W Na5 Na3 104.4(2) . 2 ?
O2W Na5 Na3 68.1(3) 2 2 ?
O4 Na5 Na3 73.0(3) 2_554 2 ?
O1 Na5 Na3 88.6(3) . 2 ?
Se1 Na5 Na3 61.21(11) . 2 ?
Na5 Na5 Na3 106.72(16) 2_554 2 ?
Na5 Na5 Na3 64.91(15) 2 2 ?
O2W Na5 Na3 68.0(4) . . ?
O1W Na5 Na3 104.3(3) 2_554 . ?
O4 Na5 Na3 80.1(3) . . ?
O1W Na5 Na3 110.4(2) . . ?
O2W Na5 Na3 157.7(3) 2 . ?
O4 Na5 Na3 37.2(3) 2_554 . ?
O1 Na5 Na3 35.2(3) . . ?
Se1 Na5 Na3 55.46(13) . . ?
Na5 Na5 Na3 62.97(13) 2_554 . ?
Na5 Na5 Na3 124.55(14) 2 . ?
Na3 Na5 Na3 90.43(19) 2 . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.40
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.318
_refine_diff_density_min         -0.884
_refine_diff_density_rms         0.186
