# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               J.Mater.Chem.
_journal_coden_cambridge         1145
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_author_name                'Jian Zhou'
_publ_contact_author_name        'Jian Zhou'
_publ_contact_author_email       'jianzhou888888@163.com '

data_1
_database_code_depnum_ccdc_archive 'CCDC 892031'
#TrackingRef '- 1.CIF'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B18 H44 Na10 O79 V12'
_chemical_formula_weight         2344.08

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/n
_symmetry_space_group_name_Hall  '-P 2yn '

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

_cell_length_a                   13.589(3)
_cell_length_b                   17.012(3)
_cell_length_c                   14.339(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.84(3)
_cell_angle_gamma                90.00
_cell_volume                     3283.9(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2216
_exptl_absorpt_coefficient_mu    1.842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6720
_exptl_absorpt_correction_T_max  0.8131
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_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  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 7.31
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18412
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.10
_reflns_number_total             5824
_reflns_number_gt                5239
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0757P)^2^+16.0467P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   '_'
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5824
_refine_ls_number_parameters     571
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0545
_refine_ls_wR_factor_ref         0.1573
_refine_ls_wR_factor_gt          0.1534
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_restrained_S_all      1.185
_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
V1 V 0.755430(13) 0.478050(11) 0.429350(13) 0.01762(5) Uani 1 1 d . A 1
V2 V 0.717480(13) 0.617790(11) 0.548010(13) 0.01706(5) Uani 1 1 d . A 1
V3 V 0.555410(13) 0.675490(10) 0.654410(12) 0.01590(5) Uani 1 1 d . . 1
V4 V 0.474170(14) 0.703500(10) 0.452220(12) 0.01752(5) Uani 1 1 d . A 1
V5 V 0.386860(14) 0.609000(11) 0.285320(12) 0.01726(5) Uani 1 1 d . . 1
V6 V 0.606500(13) 0.574300(10) 0.304790(12) 0.01671(5) Uani 1 1 d . A 1
O1 O 0.46968(8) 0.79670(5) 0.42553(6) 0.0356(3) Uani 1 1 d . A 1
O2 O 0.62667(6) 0.44894(5) 0.01212(6) 0.0275(2) Uani 1 1 d . . 1
O3 O 0.78924(7) 0.12775(5) 0.51079(6) 0.0317(2) Uani 1 1 d . . 1
O4 O 0.98142(6) 0.59802(6) 0.78548(7) 0.0373(3) Uani 1 1 d . B 1
O5 O 0.89252(6) 0.50276(5) 0.69252(6) 0.0271(2) Uani 1 1 d . B 1
O6 O 0.81402(6) 0.67469(5) 0.56838(6) 0.0311(2) Uani 1 1 d . . 1
O7 O 0.34824(7) 0.66848(5) 0.19915(6) 0.0287(2) Uani 1 1 d . . 1
O8 O 0.59164(7) 0.75539(5) 0.71126(6) 0.0281(2) Uani 1 1 d . . 1
O9 O 0.65234(6) 0.40770(5) 0.16959(5) 0.0219(2) Uani 1 1 d . C 1
O10 O 0.67307(6) 0.32777(4) 0.30391(5) 0.0185(2) Uani 1 1 d . D 1
O11 O 0.71261(6) 0.22837(4) 0.41748(5) 0.0232(2) Uani 1 1 d . . 1
O12 O 0.86402(6) 0.47981(5) 0.39473(6) 0.0326(3) Uani 1 1 d . A 1
O13 O 0.80760(6) 0.58716(5) 0.78830(6) 0.0259(2) Uani 1 1 d . . 1
O14 O 0.35254(5) 0.44202(4) 0.17635(5) 0.0185(2) Uani 1 1 d . . 1
O15 O 0.65628(7) 0.61542(5) 0.22062(6) 0.0305(2) Uani 1 1 d . . 1
O16 O 0.34811(6) 0.65756(5) 0.39678(5) 0.0219(2) Uani 1 1 d . . 1
O17 O 0.47724(6) 0.52990(4) 0.25117(5) 0.0196(2) Uani 1 1 d . A 1
O18 O 0.27920(6) 0.52742(4) 0.28658(5) 0.0187(2) Uani 1 1 d . . 1
O19 O 0.70095(6) 0.58473(4) 0.41807(5) 0.0204(2) Uani 1 1 d . A 1
O20 O 0.66742(6) 0.60488(5) 0.66946(5) 0.0205(2) Uani 1 1 d . . 1
O21 O 0.48862(5) 0.61006(4) 0.74443(5) 0.0176(2) Uani 1 1 d . . 1
O22 O 0.73459(6) 0.36521(4) 0.46624(5) 0.0184(2) Uani 1 1 d . A 1
O23 O 0.49701(6) 0.46233(5) 0.10705(5) 0.0207(2) Uani 1 1 d . C 1
O24 O 0.43053(5) 0.68891(4) 0.57490(5) 0.0187(2) Uani 1 1 d . . 1
O25 O 0.65356(6) 0.46648(4) 0.32289(5) 0.0196(2) Uani 1 1 d . A 1
O26 O 0.59889(6) 0.68284(5) 0.53050(5) 0.0206(2) Uani 1 1 d . A 1
O27 O 0.82119(6) 0.38600(4) 0.62595(5) 0.0203(2) Uani 1 1 d . . 1
O28 O 0.76241(6) 0.50909(4) 0.55998(5) 0.0213(2) Uani 1 1 d . A 1
O29 O 0.51395(6) 0.64773(5) 0.34714(5) 0.0219(2) Uani 1 1 d . A 1
O30 O 0.78503(6) 0.25691(5) 0.57470(5) 0.0230(2) Uani 1 1 d . . 1
B1 B 0.45757(9) 0.45612(7) 0.19886(8) 0.0168(3) Uani 1 1 d . . 1
B2 B 0.59137(9) 0.44074(8) 0.09787(9) 0.0198(3) Uani 1 1 d . C 1
B3 B 0.62335(9) 0.39693(7) 0.26482(8) 0.0167(3) Uani 1 1 d . . 1
B4 B 0.67179(9) 0.30909(7) 0.40174(8) 0.0180(3) Uani 1 1 d . . 1
B5 B 0.76181(10) 0.20570(8) 0.50184(9) 0.0215(3) Uani 1 1 d . . 1
B6 B 0.74920(9) 0.34025(7) 0.56806(9) 0.0195(3) Uani 1 1 d . . 1
B7 B 0.79863(9) 0.46559(7) 0.64684(9) 0.0196(3) Uani 1 1 d . . 1
B8 B 0.89141(10) 0.56218(8) 0.75526(10) 0.0251(4) Uani 1 1 d . B 1
B9 B 0.70857(9) 0.55475(7) 0.74939(8) 0.0185(3) Uani 1 1 d . . 1
Na1 Na 0.73273(4) 0.22503(3) 0.72440(4) 0.03521(15) Uani 1 1 d . . 1
Na2 Na 0.65266(5) 0.30892(4) -0.03541(5) 0.0555(2) Uani 1 1 d . . 1
Na3 Na 0.46101(7) 0.20035(7) 0.13349(7) 0.0773(3) Uani 0.85 1 d P . 1
Na4 Na 0.68442(5) 0.11096(4) 0.33563(6) 0.0740(3) Uani 1 1 d . . 1
Na5 Na 0.71484(6) -0.00316(5) 0.52691(6) 0.0735(3) Uani 1 1 d . . 1
O1W O 0.5000 0.5000 0.5000 0.1464(15) Uani 1 2 d S E 1
O3W O 0.48024(13) 0.30958(16) -0.0553(2) 0.1521(12) Uani 1 1 d . F 1
O2W O 0.80180(19) 0.30809(16) 0.0569(2) 0.3075(13) Uani 1 1 d . G 1
O4W O 0.5067(2) 0.10787(15) 0.3011(2) 0.0751(10) Uani 0.50 1 d P H 1
O5W O 0.56499(12) 0.06693(9) 0.47767(12) 0.0976(5) Uani 1 1 d . I 1
O6W O 0.67087(8) -0.02684(7) 0.35287(9) 0.0588(4) Uani 1 1 d . J 1
O7W O 0.65947(18) -0.11020(15) 0.59654(19) 0.2758(9) Uani 1 1 d . K 1
O8W O 0.6414(2) 0.2052(3) 0.1658(3) 0.2069(17) Uani 0.85 1 d P L 1
O9W O 0.50388(14) 0.11332(13) 0.0181(2) 0.1961(10) Uani 0.85 1 d P M 1
O10W O 1.12853(17) 0.70888(13) 0.7150(2) 0.1227(9) Uani 0.50 1 d P N 1
O11W O 0.98647(19) 0.37585(18) 0.37747(15) 0.1055(9) Uani 0.50 1 d P O 1
O4W' O 0.5554(2) 0.09129(18) 0.2184(2) 0.0762(10) Uani 0.50 1 d P P 2
Na3' Na 0.4931(3) 0.2658(2) 0.1131(3) 0.0436(11) Uani 0.15 1 d P Q 2
O8W' O 0.6309(12) 0.2427(15) 0.1205(15) 0.2069(17) Uani 0.15 1 d P Q 2
O9W' O 0.4830(8) 0.1413(8) -0.0095(14) 0.1961(10) Uani 0.15 1 d P Q 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
V1 0.01398(8) 0.02050(8) 0.01873(8) -0.00108(7) 0.00345(7) 0.00123(7)
V2 0.01590(8) 0.01706(8) 0.01877(8) -0.00180(7) 0.00431(7) -0.00178(7)
V3 0.01504(8) 0.01425(8) 0.01835(8) -0.00211(7) 0.00206(7) -0.00066(7)
V4 0.02067(8) 0.01463(8) 0.01756(8) 0.00135(7) 0.00372(7) 0.00273(7)
V5 0.01935(8) 0.01749(8) 0.01500(8) 0.00162(7) 0.00256(7) 0.00586(7)
V6 0.01862(8) 0.01635(8) 0.01585(8) 0.00136(7) 0.00486(7) 0.00104(7)
O1 0.0569(5) 0.0185(4) 0.0341(4) 0.0062(3) 0.0156(4) 0.0058(4)
O2 0.0257(4) 0.0381(4) 0.0203(4) 0.0074(3) 0.0084(3) 0.0098(4)
O3 0.0448(5) 0.0207(4) 0.0279(4) 0.0003(3) -0.0013(4) 0.0122(4)
O4 0.0200(4) 0.0434(5) 0.0487(5) -0.0196(4) 0.0052(4) -0.0038(4)
O5 0.0185(4) 0.0331(4) 0.0292(4) -0.0087(4) 0.0020(3) -0.0009(4)
O6 0.0257(4) 0.0276(4) 0.0402(5) -0.0052(4) 0.0057(4) -0.0081(4)
O7 0.0339(4) 0.0283(4) 0.0232(4) 0.0072(3) 0.0017(3) 0.0091(4)
O8 0.0316(4) 0.0210(4) 0.0304(4) -0.0083(3) -0.0006(4) -0.0053(3)
O9 0.0184(4) 0.0298(4) 0.0182(3) 0.0043(3) 0.0046(3) 0.0047(3)
O10 0.0198(3) 0.0192(3) 0.0163(3) 0.0019(3) 0.0020(3) 0.0048(3)
O11 0.0311(4) 0.0177(4) 0.0200(3) 0.0006(3) 0.0002(3) 0.0074(3)
O12 0.0208(4) 0.0382(5) 0.0411(5) -0.0005(4) 0.0128(3) 0.0011(4)
O13 0.0141(3) 0.0293(4) 0.0345(4) -0.0103(3) 0.0041(3) 0.0000(3)
O14 0.0162(3) 0.0227(4) 0.0165(3) -0.0026(3) 0.0023(3) 0.0023(3)
O15 0.0357(4) 0.0323(4) 0.0255(4) 0.0072(3) 0.0121(3) -0.0025(4)
O16 0.0167(3) 0.0287(4) 0.0204(3) -0.0038(3) 0.0032(3) 0.0015(3)
O17 0.0168(3) 0.0195(3) 0.0220(3) -0.0036(3) 0.0009(3) 0.0037(3)
O18 0.0184(3) 0.0198(3) 0.0187(3) -0.0018(3) 0.0050(3) 0.0021(3)
O19 0.0243(4) 0.0190(3) 0.0179(3) -0.0013(3) 0.0025(3) 0.0009(3)
O20 0.0202(4) 0.0235(4) 0.0190(3) 0.0028(3) 0.0068(3) 0.0061(3)
O21 0.0136(3) 0.0172(3) 0.0221(3) 0.0013(3) 0.0033(3) 0.0014(3)
O22 0.0177(3) 0.0199(3) 0.0171(3) -0.0003(3) 0.0004(3) 0.0014(3)
O23 0.0189(3) 0.0284(4) 0.0158(3) 0.0021(3) 0.0057(3) 0.0053(3)
O24 0.0154(3) 0.0238(4) 0.0167(3) 0.0014(3) 0.0020(3) 0.0011(3)
O25 0.0188(4) 0.0161(3) 0.0228(4) -0.0009(3) -0.0011(3) 0.0034(3)
O26 0.0182(3) 0.0241(4) 0.0199(3) 0.0016(3) 0.0040(3) 0.0006(3)
O27 0.0204(4) 0.0213(4) 0.0179(3) -0.0026(3) -0.0024(3) 0.0060(3)
O28 0.0251(4) 0.0192(4) 0.0195(3) -0.0025(3) 0.0022(3) 0.0042(3)
O29 0.0221(4) 0.0223(4) 0.0217(4) -0.0047(3) 0.0044(3) 0.0042(3)
O30 0.0263(4) 0.0203(4) 0.0213(4) 0.0003(3) -0.0012(3) 0.0062(3)
B1 0.0184(5) 0.0176(5) 0.0155(5) -0.0015(4) 0.0060(4) 0.0012(5)
B2 0.0208(6) 0.0217(6) 0.0178(5) -0.0009(5) 0.0059(5) 0.0001(5)
B3 0.0167(5) 0.0165(5) 0.0170(5) 0.0021(4) 0.0027(4) 0.0007(5)
B4 0.0183(5) 0.0167(5) 0.0193(5) -0.0011(5) 0.0034(5) 0.0045(5)
B5 0.0207(6) 0.0215(6) 0.0224(6) 0.0018(5) 0.0038(5) 0.0074(5)
B6 0.0190(6) 0.0202(6) 0.0189(5) -0.0007(5) 0.0014(5) 0.0047(5)
B7 0.0186(6) 0.0191(6) 0.0204(5) -0.0027(5) 0.0004(5) 0.0019(5)
B8 0.0196(6) 0.0307(7) 0.0249(6) -0.0049(5) 0.0024(5) 0.0000(5)
B9 0.0155(5) 0.0213(6) 0.0186(5) -0.0016(5) 0.0023(4) 0.0005(5)
Na1 0.0371(3) 0.0279(2) 0.0411(3) 0.0036(2) 0.0070(2) 0.0074(2)
Na2 0.0669(4) 0.0419(3) 0.0578(4) -0.0050(3) 0.0086(3) 0.0114(3)
Na3 0.0437(4) 0.1127(7) 0.0747(5) -0.0241(5) 0.0056(4) -0.0015(5)
Na4 0.0472(4) 0.0501(3) 0.1252(6) -0.0436(3) 0.0136(4) -0.0110(3)
Na5 0.0527(4) 0.0754(5) 0.0970(5) 0.0160(4) 0.0272(4) 0.0108(4)
O1W 0.157(3) 0.131(2) 0.153(3) 0.005(2) 0.030(2) -0.029(2)
O3W 0.0459(9) 0.170(2) 0.240(3) -0.014(2) 0.0180(13) -0.0192(12)
O2W 0.1235(15) 0.2831(17) 0.472(3) -0.2904(15) -0.1180(18) 0.1141(13)
O4W 0.0721(17) 0.0463(13) 0.106(2) -0.0223(13) 0.0085(16) 0.0078(13)
O5W 0.0759(9) 0.0957(9) 0.1154(10) -0.0620(7) -0.0081(8) 0.0324(7)
O6W 0.0308(5) 0.0633(7) 0.0818(8) -0.0242(6) 0.0053(5) 0.0067(5)
O7W 0.1437(15) 0.2978(16) 0.3378(18) 0.2637(11) -0.1409(13) -0.1319(13)
O8W 0.0871(16) 0.299(4) 0.220(3) -0.088(3) -0.0302(19) -0.011(2)
O9W 0.0313(8) 0.1500(12) 0.402(3) -0.1823(12) 0.0098(13) -0.0125(9)
O10W 0.0929(10) 0.0236(11) 0.288(2) -0.0071(13) 0.1551(10) -0.0059(9)
O11W 0.1207(14) 0.1703(19) 0.0373(9) 0.0533(11) 0.0527(9) 0.1163(12)
O4W' 0.0490(14) 0.0898(18) 0.0847(18) 0.0264(15) -0.0090(14) -0.0023(14)
Na3' 0.059(2) 0.0375(18) 0.0328(17) -0.0137(15) 0.0006(17) -0.0033(18)
O8W' 0.0871(16) 0.299(4) 0.220(3) -0.088(3) -0.0302(19) -0.011(2)
O9W' 0.0313(8) 0.1500(12) 0.402(3) -0.1823(12) 0.0098(13) -0.0125(9)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
V1 O12 1.6201(10) . ?
V1 O25 1.9258(10) . ?
V1 O28 1.9359(9) . ?
V1 O19 1.9583(9) . ?
V1 O22 2.0213(9) . ?
V1 V6 2.9967(8) . ?
V1 V2 3.0086(5) . ?
V2 O6 1.6244(9) . ?
V2 O19 1.9298(8) . ?
V2 O26 1.9427(8) . ?
V2 O28 1.9476(9) . ?
V2 O20 1.9664(9) . ?
V2 V3 3.0097(8) . ?
V3 O8 1.6263(9) . ?
V3 O24 1.9245(9) . ?
V3 O20 1.9279(8) . ?
V3 O26 1.9514(9) . ?
V3 O21 2.0121(9) . ?
V3 V4 2.9963(8) . ?
V3 Na1 3.2639(11) 2_656 ?
V4 O1 1.6302(9) . ?
V4 O29 1.9196(9) . ?
V4 O26 1.9331(10) . ?
V4 O24 1.9474(9) . ?
V4 O16 1.9508(9) . ?
V4 V5 2.9907(7) . ?
V5 O7 1.6276(9) . ?
V5 O17 1.9295(8) . ?
V5 O16 1.9348(9) . ?
V5 O29 1.9454(9) . ?
V5 O18 2.0184(8) . ?
V5 V6 3.0178(7) . ?
V5 Na1 3.2512(8) 3_666 ?
V6 O15 1.6206(10) . ?
V6 O29 1.9285(9) . ?
V6 O19 1.9361(10) . ?
V6 O25 1.9482(8) . ?
V6 O17 1.9694(9) . ?
O2 B2 1.3865(16) . ?
O2 Na5 2.4382(13) 2_655 ?
O2 Na2 2.5157(12) . ?
O3 B5 1.3787(15) . ?
O3 Na5 2.4696(13) . ?
O3 Na4 2.7281(14) . ?
O4 B8 1.3824(16) . ?
O5 B8 1.3546(17) . ?
O5 B7 1.4929(15) . ?
O6 Na2 2.3877(12) 2_655 ?
O7 Na2 2.3775(12) 3_665 ?
O7 Na1 2.4542(11) 3_666 ?
O8 Na1 2.4926(12) 2_656 ?
O8 Na3 2.5434(15) 3_666 ?
O9 B2 1.3518(14) . ?
O9 B3 1.4833(15) . ?
O10 B3 1.4323(14) . ?
O10 B4 1.4407(15) . ?
O11 B5 1.3558(15) . ?
O11 B4 1.4866(15) . ?
O11 Na4 2.3218(11) . ?
O13 B8 1.3599(17) . ?
O13 B9 1.4904(15) . ?
O13 Na1 2.4098(11) 2_656 ?
O14 B9 1.4379(16) 3_666 ?
O14 B1 1.4398(14) . ?
O14 Na5 2.8427(13) 4_565 ?
O15 Na4 2.4122(14) 2_655 ?
O16 B6 1.4785(16) 3_666 ?
O16 Na1 2.7739(10) 3_666 ?
O17 B1 1.4679(14) . ?
O18 B9 1.5070(15) 3_666 ?
O18 B7 1.5230(16) 3_666 ?
O20 B9 1.4760(14) . ?
O20 Na1 2.7878(10) 2_656 ?
O21 B3 1.5139(15) 3_666 ?
O21 B1 1.5170(14) 3_666 ?
O22 B6 1.5074(15) . ?
O22 B4 1.5099(14) . ?
O23 B2 1.3574(15) . ?
O23 B1 1.4913(15) . ?
O24 B4 1.4743(15) 3_666 ?
O25 B3 1.4726(14) . ?
O27 B6 1.4249(14) . ?
O27 B7 1.4290(15) . ?
O27 Na3 2.3924(13) 4_666 ?
O28 B7 1.4744(15) . ?
O30 B5 1.3638(15) . ?
O30 B6 1.4978(15) . ?
O30 Na1 2.4131(11) . ?
O30 Na3 2.5314(13) 4_666 ?
B1 O21 1.5170(14) 3_666 ?
B2 Na2 3.1319(15) . ?
B3 O21 1.5139(14) 3_666 ?
B4 O24 1.4744(15) 3_666 ?
B5 Na4 2.9495(16) . ?
B6 O16 1.4785(16) 3_666 ?
B6 Na3 2.9841(17) 4_666 ?
B6 Na1 3.0090(14) . ?
B7 O18 1.5230(16) 3_666 ?
B9 O14 1.4379(16) 3_666 ?
B9 O18 1.5070(15) 3_666 ?
B9 Na1 3.0145(15) 2_656 ?
Na1 O13 2.4098(11) 2_646 ?
Na1 O7 2.4542(11) 3_666 ?
Na1 O8 2.4926(12) 2_646 ?
Na1 O16 2.7739(11) 3_666 ?
Na1 O20 2.7878(10) 2_646 ?
Na1 B9 3.0144(15) 2_646 ?
Na1 V5 3.2512(8) 3_666 ?
Na1 V3 3.2639(11) 2_646 ?
Na2 O2W 2.265(3) . ?
Na2 O3W 2.321(2) . ?
Na2 O7 2.3775(12) 3_665 ?
Na2 O6 2.3877(12) 2_645 ?
Na3 O9W 2.352(3) . ?
Na3 O27 2.3924(13) 4_565 ?
Na3 O8W 2.434(3) . ?
Na3 O30 2.5314(13) 4_565 ?
Na3 O8 2.5434(15) 3_666 ?
Na3 O4W 2.869(3) . ?
Na3 B6 2.9841(17) 4_565 ?
Na4 O6W 2.3670(15) . ?
Na4 O4W 2.398(3) . ?
Na4 O15 2.4122(13) 2_645 ?
Na4 O5W 2.871(2) . ?
Na4 O8W 2.908(4) . ?
Na5 O7W 2.255(3) . ?
Na5 O5W 2.3821(18) . ?
Na5 O2 2.4382(13) 2_645 ?
Na5 O6W 2.5180(17) . ?
Na5 O14 2.8427(13) 4_666 ?

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
O12 V1 O25 110.20(4) . . ?
O12 V1 O28 111.41(5) . . ?
O25 V1 O28 136.87(4) . . ?
O12 V1 O19 107.90(4) . . ?
O25 V1 O19 78.84(3) . . ?
O28 V1 O19 78.18(3) . . ?
O12 V1 O22 105.29(4) . . ?
O25 V1 O22 89.95(3) . . ?
O28 V1 O22 89.77(3) . . ?
O19 V1 O22 146.80(4) . . ?
O12 V1 V6 112.12(4) . . ?
O25 V1 V6 39.60(3) . . ?
O28 V1 V6 111.57(3) . . ?
O19 V1 V6 39.42(2) . . ?
O22 V1 V6 124.58(2) . . ?
O12 V1 V2 113.09(4) . . ?
O25 V1 V2 111.65(3) . . ?
O28 V1 V2 39.36(2) . . ?
O19 V1 V2 38.96(2) . . ?
O22 V1 V2 124.16(3) . . ?
V6 V1 V2 75.605(18) . . ?
O6 V2 O19 109.39(5) . . ?
O6 V2 O26 108.61(4) . . ?
O19 V2 O26 93.21(4) . . ?
O6 V2 O28 108.31(4) . . ?
O19 V2 O28 78.59(3) . . ?
O26 V2 O28 142.82(3) . . ?
O6 V2 O20 106.01(5) . . ?
O19 V2 O20 144.46(3) . . ?
O26 V2 O20 78.29(4) . . ?
O28 V2 O20 87.60(3) . . ?
O6 V2 V1 112.09(4) . . ?
O19 V2 V1 39.65(2) . . ?
O26 V2 V1 125.46(3) . . ?
O28 V2 V1 39.08(2) . . ?
O20 V2 V1 121.28(3) . . ?
O6 V2 V3 110.08(4) . . ?
O19 V2 V3 125.99(3) . . ?
O26 V2 V3 39.49(3) . . ?
O28 V2 V3 120.48(3) . . ?
O20 V2 V3 38.93(3) . . ?
V1 V2 V3 137.57(3) . . ?
O8 V3 O24 112.33(4) . . ?
O8 V3 O20 106.51(4) . . ?
O24 V3 O20 139.39(3) . . ?
O8 V3 O26 107.11(4) . . ?
O24 V3 O26 78.76(4) . . ?
O20 V3 O26 79.01(4) . . ?
O8 V3 O21 105.84(4) . . ?
O24 V3 O21 90.41(3) . . ?
O20 V3 O21 90.11(4) . . ?
O26 V3 O21 147.00(3) . . ?
O8 V3 V4 113.48(3) . . ?
O24 V3 V4 39.58(3) . . ?
O20 V3 V4 112.86(3) . . ?
O26 V3 V4 39.30(2) . . ?
O21 V3 V4 124.74(2) . . ?
O8 V3 V2 109.53(4) . . ?
O24 V3 V2 112.67(3) . . ?
O20 V3 V2 39.86(2) . . ?
O26 V3 V2 39.28(3) . . ?
O21 V3 V2 124.76(3) . . ?
V4 V3 V2 76.11(2) . . ?
O8 V3 Na1 48.14(3) . 2_656 ?
O24 V3 Na1 158.00(3) . 2_656 ?
O20 V3 Na1 58.38(3) . 2_656 ?
O26 V3 Na1 96.52(3) . 2_656 ?
O21 V3 Na1 104.10(3) . 2_656 ?
V4 V3 Na1 130.99(2) . 2_656 ?
V2 V3 Na1 72.590(18) . 2_656 ?
O1 V4 O29 107.57(4) . . ?
O1 V4 O26 108.36(4) . . ?
O29 V4 O26 92.72(4) . . ?
O1 V4 O24 109.25(4) . . ?
O29 V4 O24 143.04(4) . . ?
O26 V4 O24 78.65(4) . . ?
O1 V4 O16 106.94(4) . . ?
O29 V4 O16 78.92(4) . . ?
O26 V4 O16 144.62(4) . . ?
O24 V4 O16 87.61(4) . . ?
O1 V4 V5 109.69(3) . . ?
O29 V4 V5 39.62(3) . . ?
O26 V4 V5 125.99(3) . . ?
O24 V4 V5 121.19(3) . . ?
O16 V4 V5 39.48(3) . . ?
O1 V4 V3 112.26(3) . . ?
O29 V4 V3 125.09(3) . . ?
O26 V4 V3 39.75(3) . . ?
O24 V4 V3 39.02(2) . . ?
O16 V4 V3 121.18(3) . . ?
V5 V4 V3 137.932(15) . . ?
O7 V5 O17 113.04(4) . . ?
O7 V5 O16 105.41(4) . . ?
O17 V5 O16 139.62(4) . . ?
O7 V5 O29 108.04(4) . . ?
O17 V5 O29 78.21(3) . . ?
O16 V5 O29 78.68(4) . . ?
O7 V5 O18 105.97(4) . . ?
O17 V5 O18 90.57(4) . . ?
O16 V5 O18 90.40(4) . . ?
O29 V5 O18 145.92(3) . . ?
O7 V5 V4 108.96(4) . . ?
O17 V5 V4 112.41(3) . . ?
O16 V5 V4 39.87(2) . . ?
O29 V5 V4 38.99(3) . . ?
O18 V5 V4 124.84(3) . . ?
O7 V5 V6 113.84(4) . . ?
O17 V5 V6 39.77(2) . . ?
O16 V5 V6 112.60(3) . . ?
O29 V5 V6 38.63(3) . . ?
O18 V5 V6 125.00(3) . . ?
V4 V5 V6 75.63(2) . . ?
O7 V5 Na1 47.16(3) . 3_666 ?
O17 V5 Na1 157.90(3) . 3_666 ?
O16 V5 Na1 58.25(3) . 3_666 ?
O29 V5 Na1 97.64(3) . 3_666 ?
O18 V5 Na1 103.82(3) . 3_666 ?
V4 V5 Na1 73.08(2) . 3_666 ?
V6 V5 Na1 131.003(12) . 3_666 ?
O15 V6 O29 108.14(4) . . ?
O15 V6 O19 106.80(4) . . ?
O29 V6 O19 93.59(4) . . ?
O15 V6 O25 110.05(4) . . ?
O29 V6 O25 141.65(4) . . ?
O19 V6 O25 78.84(3) . . ?
O15 V6 O17 108.39(4) . . ?
O29 V6 O17 77.65(4) . . ?
O19 V6 O17 144.74(4) . . ?
O25 V6 O17 87.13(3) . . ?
O15 V6 V1 111.29(4) . . ?
O29 V6 V1 125.64(3) . . ?
O19 V6 V1 39.96(3) . . ?
O25 V6 V1 39.06(2) . . ?
O17 V6 V1 121.13(3) . . ?
O15 V6 V5 110.78(4) . . ?
O29 V6 V5 39.03(2) . . ?
O19 V6 V5 126.43(3) . . ?
O25 V6 V5 119.94(2) . . ?
O17 V6 V5 38.81(3) . . ?
V1 V6 V5 137.816(16) . . ?
B2 O2 Na5 131.34(7) . 2_655 ?
B2 O2 Na2 102.90(7) . . ?
Na5 O2 Na2 95.35(4) 2_655 . ?
B5 O3 Na5 140.10(8) . . ?
B5 O3 Na4 85.09(7) . . ?
Na5 O3 Na4 79.79(4) . . ?
B8 O5 B7 121.41(10) . . ?
V2 O6 Na2 134.80(5) . 2_655 ?
V5 O7 Na2 143.89(5) . 3_665 ?
V5 O7 Na1 103.74(4) . 3_666 ?
Na2 O7 Na1 112.30(4) 3_665 3_666 ?
V3 O8 Na1 102.79(4) . 2_656 ?
V3 O8 Na3 125.74(5) . 3_666 ?
Na1 O8 Na3 96.13(4) 2_656 3_666 ?
B2 O9 B3 122.65(9) . . ?
B3 O10 B4 119.64(9) . . ?
B5 O11 B4 121.77(9) . . ?
B5 O11 Na4 103.51(7) . . ?
B4 O11 Na4 133.27(7) . . ?
B8 O13 B9 120.68(10) . . ?
B8 O13 Na1 118.06(8) . 2_656 ?
B9 O13 Na1 98.47(6) . 2_656 ?
B9 O14 B1 118.85(8) 3_666 . ?
B9 O14 Na5 99.03(6) 3_666 4_565 ?
B1 O14 Na5 129.68(7) . 4_565 ?
V6 O15 Na4 136.07(5) . 2_655 ?
B6 O16 V5 130.49(7) 3_666 . ?
B6 O16 V4 128.86(7) 3_666 . ?
V5 O16 V4 100.65(4) . . ?
B6 O16 Na1 84.22(6) 3_666 3_666 ?
V5 O16 Na1 85.36(3) . 3_666 ?
V4 O16 Na1 102.56(4) . 3_666 ?
B1 O17 V5 130.40(7) . . ?
B1 O17 V6 128.17(7) . . ?
V5 O17 V6 101.43(4) . . ?
B9 O18 B7 113.92(8) 3_666 3_666 ?
B9 O18 V5 121.39(7) 3_666 . ?
B7 O18 V5 121.20(6) 3_666 . ?
V2 O19 V6 144.42(5) . . ?
V2 O19 V1 101.39(4) . . ?
V6 O19 V1 100.62(4) . . ?
B9 O20 V3 131.04(7) . . ?
B9 O20 V2 127.73(7) . . ?
V3 O20 V2 101.22(4) . . ?
B9 O20 Na1 83.98(6) . 2_656 ?
V3 O20 Na1 85.55(4) . 2_656 ?
V2 O20 Na1 101.55(4) . 2_656 ?
B3 O21 B1 113.20(8) 3_666 3_666 ?
B3 O21 V3 121.55(6) 3_666 . ?
B1 O21 V3 121.86(7) 3_666 . ?
B6 O22 B4 113.82(8) . . ?
B6 O22 V1 121.09(6) . . ?
B4 O22 V1 121.86(6) . . ?
B2 O23 B1 121.63(9) . . ?
B4 O24 V3 130.61(7) 3_666 . ?
B4 O24 V4 127.96(7) 3_666 . ?
V3 O24 V4 101.40(4) . . ?
B3 O25 V1 130.17(6) . . ?
B3 O25 V6 128.32(6) . . ?
V1 O25 V6 101.35(4) . . ?
V4 O26 V2 145.56(4) . . ?
V4 O26 V3 100.95(4) . . ?
V2 O26 V3 101.23(4) . . ?
B6 O27 B7 119.33(9) . . ?
B6 O27 Na3 99.72(7) . 4_666 ?
B7 O27 Na3 139.83(7) . 4_666 ?
B7 O28 V1 130.32(7) . . ?
B7 O28 V2 127.99(7) . . ?
V1 O28 V2 101.56(4) . . ?
V4 O29 V6 146.39(4) . . ?
V4 O29 V5 101.39(4) . . ?
V6 O29 V5 102.34(4) . . ?
B5 O30 B6 121.11(9) . . ?
B5 O30 Na1 118.19(8) . . ?
B6 O30 Na1 97.85(7) . . ?
B5 O30 Na3 123.22(8) . 4_666 ?
B6 O30 Na3 91.92(7) . 4_666 ?
Na1 O30 Na3 98.50(4) . 4_666 ?
O14 B1 O17 111.27(9) . . ?
O14 B1 O23 106.17(8) . . ?
O17 B1 O23 109.16(9) . . ?
O14 B1 O21 112.78(9) . 3_666 ?
O17 B1 O21 108.65(8) . 3_666 ?
O23 B1 O21 108.71(9) . 3_666 ?
O9 B2 O23 121.86(11) . . ?
O9 B2 O2 117.79(11) . . ?
O23 B2 O2 120.30(10) . . ?
O9 B2 Na2 88.86(7) . . ?
O23 B2 Na2 125.89(8) . . ?
O2 B2 Na2 51.53(6) . . ?
O10 B3 O25 111.01(9) . . ?
O10 B3 O9 106.94(9) . . ?
O25 B3 O9 109.43(9) . . ?
O10 B3 O21 112.62(9) . 3_666 ?
O25 B3 O21 108.18(9) . 3_666 ?
O9 B3 O21 108.61(8) . 3_666 ?
O10 B4 O24 110.68(9) . 3_666 ?
O10 B4 O11 107.32(9) . . ?
O24 B4 O11 109.31(9) 3_666 . ?
O10 B4 O22 112.09(9) . . ?
O24 B4 O22 108.54(9) 3_666 . ?
O11 B4 O22 108.85(8) . . ?
O11 B5 O30 122.42(11) . . ?
O11 B5 O3 116.79(10) . . ?
O30 B5 O3 120.78(10) . . ?
O11 B5 Na4 49.94(6) . . ?
O30 B5 Na4 171.02(9) . . ?
O3 B5 Na4 67.15(6) . . ?
O27 B6 O16 111.25(10) . 3_666 ?
O27 B6 O30 106.77(9) . . ?
O16 B6 O30 107.47(9) 3_666 . ?
O27 B6 O22 113.55(10) . . ?
O16 B6 O22 108.51(9) 3_666 . ?
O30 B6 O22 109.08(9) . . ?
O27 B6 Na3 52.20(6) . 4_666 ?
O16 B6 Na3 140.16(8) 3_666 4_666 ?
O30 B6 Na3 57.97(5) . 4_666 ?
O22 B6 Na3 111.32(8) . 4_666 ?
O27 B6 Na1 92.11(7) . . ?
O16 B6 Na1 66.52(6) 3_666 . ?
O30 B6 Na1 52.60(5) . . ?
O22 B6 Na1 153.09(8) . . ?
Na3 B6 Na1 77.38(4) 4_666 . ?
O27 B7 O28 110.79(9) . . ?
O27 B7 O5 107.36(9) . . ?
O28 B7 O5 108.96(10) . . ?
O27 B7 O18 113.11(9) . 3_666 ?
O28 B7 O18 108.06(9) . 3_666 ?
O5 B7 O18 108.48(9) . 3_666 ?
O5 B8 O13 123.39(11) . . ?
O5 B8 O4 116.60(12) . . ?
O13 B8 O4 120.02(12) . . ?
O14 B9 O20 110.92(9) 3_666 . ?
O14 B9 O13 106.97(9) 3_666 . ?
O20 B9 O13 107.70(9) . . ?
O14 B9 O18 113.00(9) 3_666 3_666 ?
O20 B9 O18 108.54(9) . 3_666 ?
O13 B9 O18 109.58(9) . 3_666 ?
O14 B9 Na1 92.33(7) 3_666 2_656 ?
O20 B9 Na1 66.88(6) . 2_656 ?
O13 B9 Na1 52.25(5) . 2_656 ?
O18 B9 Na1 153.43(8) 3_666 2_656 ?
O13 Na1 O30 104.07(3) 2_646 . ?
O13 Na1 O7 129.86(4) 2_646 3_666 ?
O30 Na1 O7 115.84(4) . 3_666 ?
O13 Na1 O8 115.22(3) 2_646 2_646 ?
O30 Na1 O8 84.22(4) . 2_646 ?
O7 Na1 O8 98.44(4) 3_666 2_646 ?
O13 Na1 O16 125.94(4) 2_646 3_666 ?
O30 Na1 O16 54.58(3) . 3_666 ?
O7 Na1 O16 65.48(3) 3_666 3_666 ?
O8 Na1 O16 111.10(4) 2_646 3_666 ?
O13 Na1 O20 54.30(3) 2_646 2_646 ?
O30 Na1 O20 118.03(3) . 2_646 ?
O7 Na1 O20 120.79(3) 3_666 2_646 ?
O8 Na1 O20 65.15(3) 2_646 2_646 ?
O16 Na1 O20 172.55(3) 3_666 2_646 ?
O13 Na1 B6 128.09(4) 2_646 . ?
O30 Na1 B6 29.55(3) . . ?
O7 Na1 B6 86.29(4) 3_666 . ?
O8 Na1 B6 88.62(4) 2_646 . ?
O16 Na1 B6 29.27(3) 3_666 . ?
O20 Na1 B6 143.53(4) 2_646 . ?
O13 Na1 B9 29.28(3) 2_646 2_646 ?
O30 Na1 B9 102.82(4) . 2_646 ?
O7 Na1 B9 141.33(4) 3_666 2_646 ?
O8 Na1 B9 85.94(3) 2_646 2_646 ?
O16 Na1 B9 147.72(3) 3_666 2_646 ?
O20 Na1 B9 29.14(3) 2_646 2_646 ?
B6 Na1 B9 132.34(4) . 2_646 ?
O13 Na1 V5 137.29(3) 2_646 3_666 ?
O30 Na1 V5 88.44(3) . 3_666 ?
O7 Na1 V5 29.10(2) 3_666 3_666 ?
O8 Na1 V5 106.48(3) 2_646 3_666 ?
O16 Na1 V5 36.38(2) 3_666 3_666 ?
O20 Na1 V5 149.69(3) 2_646 3_666 ?
B6 Na1 V5 59.33(3) . 3_666 ?
B9 Na1 V5 164.17(3) 2_646 3_666 ?
O13 Na1 V3 87.93(3) 2_646 2_646 ?
O30 Na1 V3 100.73(3) . 2_646 ?
O7 Na1 V3 111.68(3) 3_666 2_646 ?
O8 Na1 V3 29.07(2) 2_646 2_646 ?
O16 Na1 V3 139.87(3) 3_666 2_646 ?
O20 Na1 V3 36.077(19) 2_646 2_646 ?
B6 Na1 V3 114.52(3) . 2_646 ?
B9 Na1 V3 59.09(2) 2_646 2_646 ?
V5 Na1 V3 130.277(17) 3_666 2_646 ?
O13 Na1 Na3 119.61(3) 2_646 4_666 ?
O30 Na1 Na3 41.93(3) . 4_666 ?
O7 Na1 Na3 110.38(4) 3_666 4_666 ?
O8 Na1 Na3 42.45(3) 2_646 4_666 ?
O16 Na1 Na3 79.28(3) 3_666 4_666 ?
O20 Na1 Na3 94.24(3) 2_646 4_666 ?
B6 Na1 Na3 51.01(3) . 4_666 ?
B9 Na1 Na3 98.71(3) 2_646 4_666 ?
V5 Na1 Na3 97.10(2) 3_666 4_666 ?
V3 Na1 Na3 63.94(2) 2_646 4_666 ?
O13 Na1 Na2 108.99(3) 2_646 1_556 ?
O30 Na1 Na2 146.17(3) . 1_556 ?
O7 Na1 Na2 33.24(2) 3_666 1_556 ?
O8 Na1 Na2 88.09(4) 2_646 1_556 ?
O16 Na1 Na2 98.68(3) 3_666 1_556 ?
O20 Na1 Na2 87.76(3) 2_646 1_556 ?
B6 Na1 Na2 117.66(3) . 1_556 ?
B9 Na1 Na2 109.44(3) 2_646 1_556 ?
V5 Na1 Na2 62.322(18) 3_666 1_556 ?
V3 Na1 Na2 87.57(3) 2_646 1_556 ?
Na3 Na1 Na2 120.82(3) 4_666 1_556 ?
O2W Na2 O3W 151.59(12) . . ?
O2W Na2 O7 117.52(10) . 3_665 ?
O3W Na2 O7 90.50(8) . 3_665 ?
O2W Na2 O6 86.05(7) . 2_645 ?
O3W Na2 O6 101.29(7) . 2_645 ?
O7 Na2 O6 86.26(4) 3_665 2_645 ?
O2W Na2 O2 89.71(7) . . ?
O3W Na2 O2 81.49(7) . . ?
O7 Na2 O2 97.61(4) 3_665 . ?
O6 Na2 O2 175.26(4) 2_645 . ?
O2W Na2 B2 86.50(8) . . ?
O3W Na2 B2 73.95(8) . . ?
O7 Na2 B2 121.39(4) 3_665 . ?
O6 Na2 B2 151.52(4) 2_645 . ?
O2 Na2 B2 25.56(3) . . ?
O2W Na2 Na5 65.76(7) . 2_655 ?
O3W Na2 Na5 118.89(7) . 2_655 ?
O7 Na2 Na5 80.10(3) 3_665 2_655 ?
O6 Na2 Na5 137.36(4) 2_645 2_655 ?
O2 Na2 Na5 41.51(3) . 2_655 ?
B2 Na2 Na5 61.66(3) . 2_655 ?
O2W Na2 Na1 100.01(9) . 1_554 ?
O3W Na2 Na1 106.47(8) . 1_554 ?
O7 Na2 Na1 34.46(3) 3_665 1_554 ?
O6 Na2 Na1 53.78(3) 2_645 1_554 ?
O2 Na2 Na1 129.33(3) . 1_554 ?
B2 Na2 Na1 154.70(3) . 1_554 ?
Na5 Na2 Na1 98.59(3) 2_655 1_554 ?
O2W Na2 Na3 103.59(9) . . ?
O3W Na2 Na3 51.72(8) . . ?
O7 Na2 Na3 135.86(4) 3_665 . ?
O6 Na2 Na3 81.00(4) 2_645 . ?
O2 Na2 Na3 97.97(4) . . ?
B2 Na2 Na3 74.14(4) . . ?
Na5 Na2 Na3 134.63(3) 2_655 . ?
Na1 Na2 Na3 126.74(3) 1_554 . ?
O9W Na3 O27 81.55(7) . 4_565 ?
O9W Na3 O8W 79.35(11) . . ?
O27 Na3 O8W 143.38(12) 4_565 . ?
O9W Na3 O30 105.07(7) . 4_565 ?
O27 Na3 O30 56.84(3) 4_565 4_565 ?
O8W Na3 O30 159.24(12) . 4_565 ?
O9W Na3 O8 158.17(9) . 3_666 ?
O27 Na3 O8 84.54(5) 4_565 3_666 ?
O8W Na3 O8 102.71(10) . 3_666 ?
O30 Na3 O8 80.83(5) 4_565 3_666 ?
O9W Na3 O4W 101.41(10) . . ?
O27 Na3 O4W 77.36(7) 4_565 . ?
O8W Na3 O4W 76.21(12) . . ?
O30 Na3 O4W 121.56(8) 4_565 . ?
O8 Na3 O4W 58.92(7) 3_666 . ?
O9W Na3 B6 87.36(6) . 4_565 ?
O27 Na3 B6 28.07(3) 4_565 4_565 ?
O8W Na3 B6 166.19(11) . 4_565 ?
O30 Na3 B6 30.11(3) 4_565 4_565 ?
O8 Na3 B6 88.24(5) 3_666 4_565 ?
O4W Na3 B6 103.06(8) . 4_565 ?
O9W Na3 Na1 138.97(6) . 4_565 ?
O27 Na3 Na1 62.20(3) 4_565 4_565 ?
O8W Na3 Na1 141.53(10) . 4_565 ?
O30 Na3 Na1 39.57(3) 4_565 4_565 ?
O8 Na3 Na1 41.41(3) 3_666 4_565 ?
O4W Na3 Na1 89.39(7) . 4_565 ?
B6 Na3 Na1 51.61(3) 4_565 4_565 ?
O9W Na3 Na4 91.86(7) . . ?
O27 Na3 Na4 107.74(4) 4_565 . ?
O8W Na3 Na4 42.61(10) . . ?
O30 Na3 Na4 153.86(4) 4_565 . ?
O8 Na3 Na4 76.44(4) 3_666 . ?
O4W Na3 Na4 33.60(6) . . ?
B6 Na3 Na4 135.30(5) 4_565 . ?
Na1 Na3 Na4 116.03(3) 4_565 . ?
O9W Na3 Na2 68.90(7) . . ?
O27 Na3 Na2 142.37(4) 4_565 . ?
O8W Na3 Na2 53.79(10) . . ?
O30 Na3 Na2 108.20(4) 4_565 . ?
O8 Na3 Na2 129.98(4) 3_666 . ?
O4W Na3 Na2 129.88(7) . . ?
B6 Na3 Na2 124.45(4) 4_565 . ?
Na1 Na3 Na2 131.07(4) 4_565 . ?
Na4 Na3 Na2 96.34(3) . . ?
O11 Na4 O6W 144.00(6) . . ?
O11 Na4 O4W 102.43(8) . . ?
O6W Na4 O4W 84.80(7) . . ?
O11 Na4 O15 92.77(4) . 2_645 ?
O6W Na4 O15 98.76(4) . 2_645 ?
O4W Na4 O15 148.84(9) . 2_645 ?
O11 Na4 O3 54.21(3) . . ?
O6W Na4 O3 92.63(4) . . ?
O4W Na4 O3 125.23(9) . . ?
O15 Na4 O3 85.69(4) 2_645 . ?
O11 Na4 O5W 86.34(5) . . ?
O6W Na4 O5W 66.92(5) . . ?
O4W Na4 O5W 59.35(9) . . ?
O15 Na4 O5W 149.91(5) 2_645 . ?
O3 Na4 O5W 69.45(5) . . ?
O11 Na4 O8W 87.12(9) . . ?
O6W Na4 O8W 128.59(9) . . ?
O4W Na4 O8W 75.97(10) . . ?
O15 Na4 O8W 77.84(7) 2_645 . ?
O3 Na4 O8W 137.18(8) . . ?
O5W Na4 O8W 132.03(8) . . ?
O11 Na4 B5 26.55(3) . . ?
O6W Na4 B5 118.75(5) . . ?
O4W Na4 B5 114.63(9) . . ?
O15 Na4 B5 90.90(4) 2_645 . ?
O3 Na4 B5 27.76(3) . . ?
O5W Na4 B5 75.12(5) . . ?
O8W Na4 B5 112.61(9) . . ?
O11 Na4 Na5 95.25(4) . . ?
O6W Na4 Na5 48.79(4) . . ?
O4W Na4 Na5 99.51(8) . . ?
O15 Na4 Na5 106.06(4) 2_645 . ?
O3 Na4 Na5 46.70(3) . . ?
O5W Na4 Na5 44.31(4) . . ?
O8W Na4 Na5 175.28(7) . . ?
B5 Na4 Na5 70.34(4) . . ?
O11 Na4 Na3 95.25(4) . . ?
O6W Na4 Na3 111.88(4) . . ?
O4W Na4 Na3 41.45(8) . . ?
O15 Na4 Na3 110.86(4) 2_645 . ?
O3 Na4 Na3 146.88(4) . . ?
O5W Na4 Na3 99.16(4) . . ?
O8W Na4 Na3 34.52(6) . . ?
B5 Na4 Na3 120.39(4) . . ?
Na5 Na4 Na3 140.94(3) . . ?
O7W Na5 O5W 102.24(8) . . ?
O7W Na5 O2 100.97(8) . 2_645 ?
O5W Na5 O2 147.72(6) . 2_645 ?
O7W Na5 O3 159.28(8) . . ?
O5W Na5 O3 82.25(5) . . ?
O2 Na5 O3 83.93(4) 2_645 . ?
O7W Na5 O6W 105.14(8) . . ?
O5W Na5 O6W 73.06(6) . . ?
O2 Na5 O6W 79.44(5) 2_645 . ?
O3 Na5 O6W 95.53(5) . . ?
O7W Na5 O14 100.77(7) . 4_666 ?
O5W Na5 O14 119.24(6) . 4_666 ?
O2 Na5 O14 77.53(4) 2_645 4_666 ?
O3 Na5 O14 60.32(3) . 4_666 ?
O6W Na5 O14 148.04(5) . 4_666 ?
O7W Na5 Na4 145.26(7) . . ?
O5W Na5 Na4 57.36(5) . . ?
O2 Na5 Na4 91.15(4) 2_645 . ?
O3 Na5 Na4 53.51(3) . . ?
O6W Na5 Na4 45.01(4) . . ?
O14 Na5 Na4 113.66(4) 4_666 . ?
O7W Na5 Na2 58.17(7) . 2_645 ?
O5W Na5 Na2 147.48(5) . 2_645 ?
O2 Na5 Na2 43.14(3) 2_645 2_645 ?
O3 Na5 Na2 125.77(4) . 2_645 ?
O6W Na5 Na2 86.70(4) . 2_645 ?
O14 Na5 Na2 91.39(3) 4_666 2_645 ?
Na4 Na5 Na2 122.68(3) . 2_645 ?
Na4 O4W Na3 104.95(12) . . ?
Na5 O5W Na4 78.33(6) . . ?
Na4 O6W Na5 86.20(5) . . ?
Na3 O8W Na4 102.87(14) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.725
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.148