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

data_global

_audit_update_record
;
2014-11-18 # Formatted by publCIF

;

# publcif _publ_body_element loop start
loop_
_publ_body_element
_publ_body_title
_publ_body_contents

 section 
;
Introduction
; 
;

;
 section 
;
Experimental
; 
;

;
 subsection 
;
Synthesis and crystallization
; 
;

;
 subsection 
;
Refinement
;
;
Crystal data, data collection and structure refinement details are summarized
in Table 1.
;

 section 
;
Results and discussion
; 
;

;
# publcif _publ_body_element loop end




#==========================================================================

_audit_creation_method           'manual editing of SHELXL-97 file'

# PROCESSING SUMMARY (IUCr Office Use Only)

_journal_data_validation_number  ?

_journal_date_recd_electronic    ?
_journal_date_to_coeditor        ?
_journal_date_from_coeditor      ?
_journal_date_accepted           ?
_journal_date_printers_first     ?
_journal_date_printers_final     ?
_journal_date_proofs_out         ?
_journal_date_proofs_in          ?
_journal_coeditor_name           ?
_journal_coeditor_code           ?
_journal_coeditor_notes          
?
_journal_techeditor_code         ?
_iucr_compatibility_tag          ?
_journal_techeditor_notes        
?
_journal_coden_ASTM              ?
_journal_name_full               ?
_journal_year                    ?
_journal_volume                  ?
_journal_issue                   ?
_journal_page_first              ?
_journal_page_last               ?
_journal_paper_category          ?
_journal_suppl_publ_number       ?
_journal_suppl_publ_pages        ?

#===========================================================================

# SUBMISSION DETAILS

_publ_contact_author_name        'Maxim N. Sokolov'
_publ_contact_author_address     
;Nikolaev Institute of Inorganic Chemistry SB RAS
630090 Novosibirsk 
Russia
;
_publ_contact_author_email       caesar@niic.nsc.ru
_publ_contact_author_phone       '+7-383-316-58-45'
_publ_contact_author_fax         '+7-383-330-94-89'
_publ_requested_journal              
;
Chemical Communications
;
_publ_requested_category             
;
Communication
;

# TITLE AND AUTHOR LIST

_publ_section_title
;
An Ir(IV)-containing Polyoxometalate;
;
_publ_section_title_footnote
.        
loop_
_publ_author_name
_publ_author_address
'Adonin, Sergey A.'
;
Nikolaev Institute of Inorganic Chemistry SB RAS
630090 Novosibirsk
Russia
;
'Izarova, Natalya V.'
;
Peter Gruenberg Institute � PGI 6
Forschungszentrum Juelich
D-52425 Juelich
Germany
;
'Besson, Claire'
;
Peter Gruenberg Institute � PGI 6
Forschungszentrum Juelich
D-52425 Juelich
Germany
;
'Abramov, Pavel A.'
;
Nikolaev Institute of Inorganic Chemistry SB RAS
630090 Novosibirsk
Russia
;
'Santiago-Schuebel, Beatrix'
;
Central Institute for Engineering, Electronics
and Analytics -- ZEA-3
Forschungszentrum Juelich
D-52425 Juelich
Germany
;
'Koegerler, Paul'
;
Institute of Inorganic Chemistry
RWTH Aachen University
D-52074 Aachen
Germany
;
'Fedin, Vladimir P.'
;
Nikolaev Institute of Inorganic Chemistry SB RAS
630090 Novosibirsk
Russia
;
'Sokolov, Maxim N.'
;
Nikolaev Institute of Inorganic Chemistry SB RAS
630090 Novosibirsk
Russia
;

 
data_Na-IrW6  
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'H54 Ir Na6 O50 W6' 
_chemical_formula_weight          2287.67 
 
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' 
 'Ir'  'Ir'  -1.4442   7.9887 
 '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' 
 'W'  'W'  -0.8490   6.8722 
 '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                    8.9995(2) 
_cell_length_b                    11.2653(2) 
_cell_length_c                    12.4259(3) 
_cell_angle_alpha                 108.449(2) 
_cell_angle_beta                  106.127(2) 
_cell_angle_gamma                 105.317(2) 
_cell_volume                      1058.86(4) 
_cell_formula_units_Z             1 
_cell_measurement_temperature     119.95(10) 
_cell_measurement_reflns_used     13324
_cell_measurement_theta_min       3.2850
_cell_measurement_theta_max       30.9570
 
_exptl_crystal_description        block 
_exptl_crystal_colour             green 
_exptl_crystal_size_max           0.33 
_exptl_crystal_size_mid           0.18 
_exptl_crystal_size_min           0.03 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     3.588 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1041 
_exptl_absorpt_coefficient_mu     19.555 
_exptl_absorpt_correction_type    analytical 
_exptl_absorpt_correction_T_min   0.0457 
_exptl_absorpt_correction_T_max   0.5561 
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_special_details 
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
 
_diffrn_ambient_temperature       120(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   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             22392 
_diffrn_reflns_av_R_equivalents   0.0624 
_diffrn_reflns_av_sigmaI/netI     0.0339 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        14 
_diffrn_reflns_limit_l_min        -15 
_diffrn_reflns_limit_l_max        15 
_diffrn_reflns_theta_min          4.14 
_diffrn_reflns_theta_max          26.37 
_reflns_number_total              4264 
_reflns_number_gt                 3940 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
; 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 

 
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    notdet 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          4264 
_refine_ls_number_parameters      217 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0364 
_refine_ls_R_factor_gt            0.0338 
_refine_ls_wR_factor_ref          0.1302 
_refine_ls_wR_factor_gt           0.1256 
_refine_ls_goodness_of_fit_ref    1.043 
_refine_ls_restrained_S_all       1.043 
_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 
Ir1 Ir 0.0000 0.5000 0.0000 0.00766(14) Uani 1 2 d S . . 
W1 W 0.33543(3) 0.55402(3) 0.22248(2) 0.01199(14) Uani 1 1 d . . . 
W2 W 0.20772(3) 0.80133(3) 0.23832(2) 0.01106(13) Uani 1 1 d . . . 
W3 W 0.13609(4) 0.25724(3) -0.00392(3) 0.01241(14) Uani 1 1 d . . . 
O1T1 O 0.3516(7) 0.4771(5) 0.3249(5) 0.0201(11) Uani 1 1 d . . . 
O12 O 0.2496(6) 0.6800(5) 0.3139(4) 0.0139(11) Uani 1 1 d . . . 
O1T2 O 0.5396(6) 0.6672(5) 0.2702(5) 0.0229(12) Uani 1 1 d . . . 
O13 O 0.3410(6) 0.4179(5) 0.0840(5) 0.0149(11) Uani 1 1 d . . . 
O2T1 O 0.4113(6) 0.9162(5) 0.2884(5) 0.0167(10) Uani 1 1 d . . . 
O2T2 O 0.1286(7) 0.8828(5) 0.3392(5) 0.0188(11) Uani 1 1 d . . . 
O23 O 0.1022(6) 0.8341(5) 0.0972(4) 0.0143(10) Uani 1 1 d . . . 
O3T1 O 0.1599(7) 0.1784(5) 0.0955(5) 0.0229(12) Uani 1 1 d . . . 
O3T2 O 0.2035(7) 0.1758(5) -0.1141(5) 0.0212(11) Uani 1 1 d . . . 
O112 O 0.2322(7) 0.6401(5) 0.1023(5) 0.0124(11) Uani 1 1 d . . . 
O113 O 0.0756(7) 0.4104(5) 0.1074(5) 0.0121(11) Uani 1 1 d . . . 
O123 O -0.0540(7) 0.6328(5) 0.1207(5) 0.0123(11) Uani 1 1 d . . . 
Na1 Na 0.8229(3) 0.4570(3) 0.3758(2) 0.0218(7) Uani 1 1 d . . . 
Na2 Na 0.6184(4) 0.1440(3) 0.1315(3) 0.0242(7) Uani 1 1 d . . . 
Na3 Na 0.2245(5) 1.1754(4) 0.4690(4) 0.0492(10) Uani 1 1 d . . . 
O1W O 0.5732(7) 0.2755(6) 0.0120(5) 0.0229(12) Uiso 1 1 d . . . 
O2W O 0.7438(6) 0.5265(5) 0.2092(5) 0.0214(11) Uiso 1 1 d . . . 
O3W O 0.9021(7) 0.3060(6) 0.2361(5) 0.0274(13) Uiso 1 1 d . . . 
O4W O 0.6778(7) 0.0080(6) -0.0264(5) 0.0220(12) Uiso 1 1 d . . . 
O5W O 0.5411(7) 0.2808(6) 0.2813(5) 0.0260(13) Uiso 1 1 d . . . 
O6W O 1.0974(9) 0.6265(7) 0.4724(6) 0.0385(16) Uiso 1 1 d . . . 
O7W O 0.4794(7) 1.1760(5) 0.4496(5) 0.0237(11) Uiso 1 1 d . . . 
O8W O 0.2974(7) 1.4070(6) 0.5096(5) 0.0280(13) Uiso 1 1 d . . . 
O9W O 0.0633(7) 1.1159(6) 0.2644(5) 0.0310(13) Uiso 1 1 d . . . 
O10W O 0.6932(10) 0.0134(8) 0.2442(7) 0.0513(18) Uiso 1 1 d . . . 
O11W O -0.0401(13) 1.1420(11) 0.4733(9) 0.025(2) Uiso 0.50 1 d P . . 
O12W O 0.166(2) 1.1228(19) 0.6135(16) 0.076(5) 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 
Ir1 O113 1.994(5) . ? 
Ir1 O113 1.994(5) 2_565 ? 
Ir1 O112 1.996(5) 2_565 ? 
Ir1 O112 1.996(5) . ? 
Ir1 O123 2.022(5) 2_565 ? 
Ir1 O123 2.022(5) . ? 
W1 O1T2 1.741(5) . ? 
W1 O1T1 1.747(5) . ? 
W1 O13 1.932(5) . ? 
W1 O12 1.987(5) . ? 
W1 O112 2.157(5) . ? 
W1 O113 2.193(6) . ? 
W1 W3 3.2225(4) . ? 
W2 O2T1 1.738(5) . ? 
W2 O2T2 1.742(5) . ? 
W2 O23 1.945(5) . ? 
W2 O12 1.944(5) . ? 
W2 O112 2.163(5) . ? 
W2 O123 2.293(5) . ? 
W3 O3T1 1.735(5) . ? 
W3 O3T2 1.745(5) . ? 
W3 O13 1.933(5) . ? 
W3 O23 1.923(5) 2_565 ? 
W3 O113 2.142(5) . ? 
W3 O123 2.283(5) 2_565 ? 
O1T2 Na3 2.950(7) 2_676 ? 
O2T2 Na3 2.928(7) . ? 
O23 W3 1.923(5) 2_565 ? 
O123 W3 2.283(5) 2_565 ? 
Na1 O6W 2.366(7) . ? 
Na1 O6W 2.385(7) 2_766 ? 
Na1 O3W 2.424(7) . ? 
Na1 O2W 2.430(6) . ? 
Na1 O8W 2.429(7) 2_676 ? 
Na1 O5W 2.442(6) . ? 
Na1 Na1 3.412(5) 2_766 ? 
Na1 Na2 3.424(4) . ? 
Na1 Na3 4.169(5) 2_676 ? 
Na2 O4W 2.365(6) . ? 
Na2 O3W 2.394(7) . ? 
Na2 O5W 2.407(6) . ? 
Na2 O10W 2.426(8) . ? 
Na2 O1W 2.437(6) . ? 
Na2 O4W 2.446(6) 2_655 ? 
Na2 Na2 3.394(6) 2_655 ? 
Na3 O12W 2.213(19) . ? 
Na3 O11W 2.329(12) . ? 
Na3 O9W 2.318(7) . ? 
Na3 O8W 2.360(7) . ? 
Na3 O7W 2.371(7) . ? 
Na3 O1T2 2.950(7) 2_676 ? 
Na3 Na1 4.169(5) 2_676 ? 
O4W Na2 2.446(6) 2_655 ? 
O6W Na1 2.385(7) 2_766 ? 
O8W Na1 2.429(7) 2_676 ? 
 
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 
O113 Ir1 O113 180.0 . 2_565 ? 
O113 Ir1 O112 97.6(2) . 2_565 ? 
O113 Ir1 O112 82.4(2) 2_565 2_565 ? 
O113 Ir1 O112 82.4(2) . . ? 
O113 Ir1 O112 97.6(2) 2_565 . ? 
O112 Ir1 O112 180.0 2_565 . ? 
O113 Ir1 O123 83.0(2) . 2_565 ? 
O113 Ir1 O123 97.0(2) 2_565 2_565 ? 
O112 Ir1 O123 81.8(2) 2_565 2_565 ? 
O112 Ir1 O123 98.2(2) . 2_565 ? 
O113 Ir1 O123 97.0(2) . . ? 
O113 Ir1 O123 83.0(2) 2_565 . ? 
O112 Ir1 O123 98.3(2) 2_565 . ? 
O112 Ir1 O123 81.8(2) . . ? 
O123 Ir1 O123 179.999(1) 2_565 . ? 
O1T2 W1 O1T1 104.0(3) . . ? 
O1T2 W1 O13 95.2(2) . . ? 
O1T1 W1 O13 100.0(2) . . ? 
O1T2 W1 O12 99.0(2) . . ? 
O1T1 W1 O12 92.7(2) . . ? 
O13 W1 O12 158.1(2) . . ? 
O1T2 W1 O112 92.7(2) . . ? 
O1T1 W1 O112 159.8(2) . . ? 
O13 W1 O112 89.6(2) . . ? 
O12 W1 O112 73.21(19) . . ? 
O1T2 W1 O113 162.4(2) . . ? 
O1T1 W1 O113 91.3(2) . . ? 
O13 W1 O113 73.2(2) . . ? 
O12 W1 O113 88.9(2) . . ? 
O112 W1 O113 74.4(2) . . ? 
O1T2 W1 W3 128.68(18) . . ? 
O1T1 W1 W3 89.01(17) . . ? 
O13 W1 W3 33.52(15) . . ? 
O12 W1 W3 130.25(15) . . ? 
O112 W1 W3 89.35(14) . . ? 
O113 W1 W3 41.39(13) . . ? 
O2T1 W2 O2T2 104.3(2) . . ? 
O2T1 W2 O23 98.6(2) . . ? 
O2T2 W2 O23 99.1(2) . . ? 
O2T1 W2 O12 100.6(2) . . ? 
O2T2 W2 O12 96.3(2) . . ? 
O23 W2 O12 151.6(2) . . ? 
O2T1 W2 O112 94.9(2) . . ? 
O2T2 W2 O112 159.8(2) . . ? 
O23 W2 O112 83.8(2) . . ? 
O12 W2 O112 73.89(19) . . ? 
O2T1 W2 O123 164.1(2) . . ? 
O2T2 W2 O123 89.7(2) . . ? 
O23 W2 O123 71.20(19) . . ? 
O12 W2 O123 85.2(2) . . ? 
O112 W2 O123 72.3(2) . . ? 
O3T1 W3 O3T2 103.5(3) . . ? 
O3T1 W3 O13 100.9(2) . . ? 
O3T2 W3 O13 94.4(2) . . ? 
O3T1 W3 O23 99.3(2) . 2_565 ? 
O3T2 W3 O23 99.0(2) . 2_565 ? 
O13 W3 O23 152.3(2) . 2_565 ? 
O3T1 W3 O113 95.3(2) . . ? 
O3T2 W3 O113 159.7(2) . . ? 
O13 W3 O113 74.3(2) . . ? 
O23 W3 O113 85.2(2) 2_565 . ? 
O3T1 W3 O123 166.3(2) . 2_565 ? 
O3T2 W3 O123 88.5(2) . 2_565 ? 
O13 W3 O123 84.6(2) . 2_565 ? 
O23 W3 O123 71.79(19) 2_565 2_565 ? 
O113 W3 O123 73.8(2) . 2_565 ? 
O3T1 W3 W1 91.82(18) . . ? 
O3T2 W3 W1 127.94(18) . . ? 
O13 W3 W1 33.51(15) . . ? 
O23 W3 W1 127.49(14) 2_565 . ? 
O113 W3 W1 42.58(15) . . ? 
O123 W3 W1 85.84(13) 2_565 . ? 
W2 O12 W1 111.7(2) . . ? 
W1 O1T2 Na3 123.9(3) . 2_676 ? 
W1 O13 W3 113.0(2) . . ? 
W2 O2T2 Na3 127.2(3) . . ? 
W2 O23 W3 119.7(2) . 2_565 ? 
Ir1 O112 W1 102.2(2) . . ? 
Ir1 O112 W2 105.7(2) . . ? 
W1 O112 W2 97.8(2) . . ? 
Ir1 O113 W3 104.5(2) . . ? 
Ir1 O113 W1 101.0(2) . . ? 
W3 O113 W1 96.0(2) . . ? 
Ir1 O123 W3 98.7(2) . 2_565 ? 
Ir1 O123 W2 100.2(2) . . ? 
W3 O123 W2 94.0(2) 2_565 . ? 
O6W Na1 O6W 88.2(3) . 2_766 ? 
O6W Na1 O3W 91.7(2) . . ? 
O6W Na1 O3W 91.9(2) 2_766 . ? 
O6W Na1 O2W 92.9(2) . . ? 
O6W Na1 O2W 175.3(3) 2_766 . ? 
O3W Na1 O2W 83.47(19) . . ? 
O6W Na1 O8W 95.5(2) . 2_676 ? 
O6W Na1 O8W 92.9(2) 2_766 2_676 ? 
O3W Na1 O8W 171.4(2) . 2_676 ? 
O2W Na1 O8W 91.5(2) . 2_676 ? 
O6W Na1 O5W 178.4(2) . . ? 
O6W Na1 O5W 90.2(2) 2_766 . ? 
O3W Na1 O5W 88.8(2) . . ? 
O2W Na1 O5W 88.7(2) . . ? 
O8W Na1 O5W 84.2(2) 2_676 . ? 
O6W Na1 Na1 44.31(18) . 2_766 ? 
O6W Na1 Na1 43.88(18) 2_766 2_766 ? 
O3W Na1 Na1 92.52(18) . 2_766 ? 
O2W Na1 Na1 137.00(19) . 2_766 ? 
O8W Na1 Na1 95.88(18) 2_676 2_766 ? 
O5W Na1 Na1 134.12(19) . 2_766 ? 
O6W Na1 Na2 135.93(19) . . ? 
O6W Na1 Na2 95.3(2) 2_766 . ? 
O3W Na1 Na2 44.35(16) . . ? 
O2W Na1 Na2 80.77(15) . . ? 
O8W Na1 Na2 128.01(18) 2_676 . ? 
O5W Na1 Na2 44.66(15) . . ? 
Na1 Na1 Na2 124.22(14) 2_766 . ? 
O6W Na1 Na3 73.75(19) . 2_676 ? 
O6W Na1 Na3 110.68(19) 2_766 2_676 ? 
O3W Na1 Na3 152.24(18) . 2_676 ? 
O2W Na1 Na3 74.03(15) . 2_676 ? 
O8W Na1 Na3 29.01(16) 2_676 2_676 ? 
O5W Na1 Na3 106.45(17) . 2_676 ? 
Na1 Na1 Na3 93.02(12) 2_766 2_676 ? 
Na2 Na1 Na3 142.32(11) . 2_676 ? 
O4W Na2 O3W 92.5(2) . . ? 
O4W Na2 O5W 176.1(3) . . ? 
O3W Na2 O5W 90.3(2) . . ? 
O4W Na2 O10W 87.3(3) . . ? 
O3W Na2 O10W 89.2(3) . . ? 
O5W Na2 O10W 95.6(2) . . ? 
O4W Na2 O1W 87.5(2) . . ? 
O3W Na2 O1W 86.3(2) . . ? 
O5W Na2 O1W 89.9(2) . . ? 
O10W Na2 O1W 172.9(3) . . ? 
O4W Na2 O4W 90.3(2) . 2_655 ? 
O3W Na2 O4W 175.9(2) . 2_655 ? 
O5W Na2 O4W 86.8(2) . 2_655 ? 
O10W Na2 O4W 93.9(2) . 2_655 ? 
O1W Na2 O4W 90.9(2) . 2_655 ? 
O4W Na2 Na2 46.11(15) . 2_655 ? 
O3W Na2 Na2 138.5(2) . 2_655 ? 
O5W Na2 Na2 130.9(2) . 2_655 ? 
O10W Na2 Na2 90.9(2) . 2_655 ? 
O1W Na2 Na2 88.91(19) . 2_655 ? 
O4W Na2 Na2 44.18(15) 2_655 2_655 ? 
O4W Na2 Na1 136.91(18) . . ? 
O3W Na2 Na1 45.05(16) . . ? 
O5W Na2 Na1 45.48(15) . . ? 
O10W Na2 Na1 97.2(2) . . ? 
O1W Na2 Na1 83.38(15) . . ? 
O4W Na2 Na1 131.74(17) 2_655 . ? 
Na2 Na2 Na1 171.36(17) 2_655 . ? 
O12W Na3 O11W 60.0(6) . . ? 
O12W Na3 O9W 132.5(6) . . ? 
O11W Na3 O9W 78.8(3) . . ? 
O12W Na3 O8W 114.4(5) . . ? 
O11W Na3 O8W 94.9(3) . . ? 
O9W Na3 O8W 90.0(2) . . ? 
O12W Na3 O7W 118.7(5) . . ? 
O11W Na3 O7W 172.0(4) . . ? 
O9W Na3 O7W 98.7(2) . . ? 
O8W Na3 O7W 92.7(2) . . ? 
O12W Na3 O2T2 84.0(5) . . ? 
O11W Na3 O2T2 91.2(3) . . ? 
O9W Na3 O2T2 73.8(2) . . ? 
O8W Na3 O2T2 161.2(2) . . ? 
O7W Na3 O2T2 80.8(2) . . ? 
O12W Na3 O1T2 60.2(5) . 2_676 ? 
O11W Na3 O1T2 104.8(3) . 2_676 ? 
O9W Na3 O1T2 162.8(3) . 2_676 ? 
O8W Na3 O1T2 73.0(2) . 2_676 ? 
O7W Na3 O1T2 79.9(2) . 2_676 ? 
O2T2 Na3 O1T2 122.45(19) . 2_676 ? 
O12W Na3 Na1 88.4(5) . 2_676 ? 
O11W Na3 Na1 68.5(3) . 2_676 ? 
O9W Na3 Na1 97.95(19) . 2_676 ? 
O8W Na3 Na1 29.94(16) . 2_676 ? 
O7W Na3 Na1 119.5(2) . 2_676 ? 
O2T2 Na3 Na1 159.37(17) . 2_676 ? 
O1T2 Na3 Na1 68.63(14) 2_676 2_676 ? 
Na2 O3W Na1 90.6(2) . . ? 
Na2 O4W Na2 89.7(2) . 2_655 ? 
Na2 O5W Na1 89.9(2) . . ? 
Na1 O6W Na1 91.8(3) . 2_766 ? 
Na3 O8W Na1 121.1(3) . 2_676 ? 
 
_diffrn_measured_fraction_theta_max    0.985 
_diffrn_reflns_theta_full              26.37 
_diffrn_measured_fraction_theta_full   0.985 
_refine_diff_density_max    2.616 
_refine_diff_density_min   -2.630 
_refine_diff_density_rms    0.303 
loop_
_publcif_info_cif.paper_type
 ?

