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This work presents an analysis of self-assembly of a complex mol­ecule from simpler ions, some of which are asymmetric, and is an example of a sodium silane­thiolate. The tri-tert-butoxy­silane­thiolate anion has two helical conformers (P and M), so aggregation of silane­thiolates can proceed with recognition of chirality. Alkali metal silane­thiolates can form cyclic solvated oligomers (e.g. dimers) or complexes such as sodates with anions of general formula R2Na. We note that all known sodates (and lithiates) contain both ligands of the same helicity in the anion, whereas in the dimers the metal atoms are coordinated by silane­thiolate ligands of different helicity. The title compound, a new example of a sodate, [Na(C4H10O2)2][Na(C12H27O3SSi)2] or [Na{(tBuO)3SiS}2][Na(DME)2] (DME is 1,2-dimethoxy­ethane), is built up of separate ion pairs with no significant inter­actions. The anion is formed from an Na atom O,S-chelated by two silane­thiolate ligands of the same helicity (both P or both M), while the cation contains an Na atom solvated by two DME mol­ecules. Because the structure is centrosymmetric, equal numbers of both conformational enantio­mers are present in the crystal lattice.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270108015242/bg3075sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270108015242/bg3075Isup2.hkl
Contains datablock I

CCDC reference: 692658

Comment top

Structural studies of thiolates of the s-block elements are important because the compounds often serve as starting materials in inorganic and organic syntheses (Englich & Ruhlandt-Senge, 2000). These complexes form a great variety of solid-state structures (Chadwick et al., 1997; Kückmann et al., 2005). In our scientific research, we have made use of the thiolate ligand (tBuO)3SiS-, which was first described by Piękoś & Wojnowski (1962). The only alkali metal tri-tert-butoxysilanethiolates known to date have been reported in four papers (Baranowska et al., 2002; Jesionka et al., 2005; Kloskowska et al., 2006a,b). Here, we present the synthesis, characterization and molecular structure of a new type of sodium tri-tert-butoxysilanethiolate, the title compound, {[(tBuO)3SiS]2Na-.(DME)2Na+}, (I) (DME is 1,2-dimethoxyethane). Some attention is focused on the chirality of the (tBuO)3SiS ligand.

Compound (I) is built up of ions combined in pairs in such a way that the outside of the pair is hydrophobic, i.e. only alkyl groups are present on the surface. The anionic fragment is formed by an Na atom coordinated by two O,S-chelating (tBuO)3SiS groups. Both groups have S—Si—O—C torsion angles of the same sign (Table 1). The Na atom in the cation is coordinated by two molecules of DME (Fig. 1). The distances from atoms S1 and S2 to atom Na1 (inside the anion) are shorter by ca 0.2 Å than those to Na2 (inside the cation), and therefore the compound is not regarded as a dinuclear complex but as an ion pair. We interpret the Na1—S1 and Na1—S2 distances as bonds and Na2···S1 and Na2···S2 as intermolecular contacts. Both Na atoms are four-coordinate in the first coordination sphere. Naturally, the borderline between a long-separated ion pair and a loosely bound dinuclear complex is quite fuzzy. The other bond lengths are typical for sodium silanethiolates (c.f. Kloskowska et al., 2006b). Nevertheless, asymmetry of the silanethiolate ligand also seems to be important in the way described below.

Both ligands in the anion have a positive chiral sense (helicity) (Table 1 and Fig. 2). This means that, due to steric hindrance, the tri-tert-butoxysilanetiolate groups cannot adopt uniform values for all three S—Si—O—C torsion angles. This causes the three tert-butoxy groups to be twisted, generating helicity of the ligand (Fig. 2). Because the asymmetry is induced by three chemically identical tert-butoxy groups we cannot use simple R and S notation. Thus, we will apply helicity notation, P and M. When all above-mentioned torsion angles are positive, we will call the conformation `plus' (P); if they are all negative, we will call it `minus' (M). It seems geometrically justified that two right-handed ligands fit better, if they have to be coordinated to the same metal atom. Of course, because the structure is centrosymmetric, the other equivalent reflected by a symmetry centre contains both ligands in a left-handed configuration (M). We note that usually the S—Si—O—C torsion angle involving the O atom coordinated to the metal atom is close to 170°.

Interestingly, both previously reported lithium silanethiolates (Jesionka et al., 2005) form centrosymmetric dimers and obviously contain P and M configurations of the tri-tert-butoxysilanetiolate group in each Li2(SR)2(L)2 ring (L = tetrahydrofuran or DME).

A complex with a similar structure to (I) was recently obtained, namely {[Na2(MeOH)6]2+.2[Na{SSi(OtBu)3}2]-} (Kloskowska et al., 2006a). This compound differs mainly in the form of the cation and in its hydrogen bonds. The use of methanol, a monodentate solvent which can give rise to many hydrogen bonds, results in the structure being a tetranuclear complex with all Na atoms pentacoordinated. This observation suggests that the coordination and hydrogen-bond formation capabilities of the solvent are strong structure-forming factors, which is not surprising. It is noteworthy that both SSi(OtBu)3 groups are of the same chirality in the anionic fragment {[(M)-(tBuO)3SiS]-Na-[(M)-SSi(OtBu)3]}- of the molecule (or {[(P)-(tBuO)3SiS]-Na-[(P)-SSi(OtBu)3]}-), exactly as in compound (I). The same holds for the anion in the lithiate [Li2(D2O)6]2+.2H2O.2{Li[SSi(OtBu)3]2}- (Kloskowska et al., 2006b).

It seems that the analysis of the chirality of SSi(OtBu)3 fragments gives a new and useful perspective for the analysis of the solid-state structures of tri-tert-butoxysilanethiolates.

Experimental top

All manipulations were performed under an atmosphere of nitrogen using standard Schlenk techniques. The title compound was synthesized by direct reaction of metallic sodium with (tBuO)3SiSH (Piękoś & Wojnowski, 1962) dissolved in 1,2-dimethoxyethane (DME). The resulting mixture was refluxed for 5 h. Recrystallization of the resulting white precipitate from DME afforded colourless crystals of (I) suitable for X-ray diffraction analysis. Elemental analysis is consistent with the formula C32H74Na2O10S2Si2.

Refinement top

All H atoms (methyl, methylene) were refined as riding, with C—H distances of 0.98 and 0.99 A °, respectively, and with Uiso(H) = 1.2Ueq(C).

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2005); cell refinement: CrysAlis RED (Oxford Diffraction, 2005); data reduction: CrysAlis RED (Oxford Diffraction, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures top
[Figure 1] Fig. 1. A view of the structure of (I), with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms have been omitted for clarity
[Figure 2] Fig. 2. Conformers M (left) and P (right) of the tri-tert-butoxysilanethiolato group, viewed along the S—Si bond. Only S, Si, O and central tert-butyl C atoms are shown.
bis(1,2-dimethoxyethane-κ2O,O')sodium bis(tri-tert-butoxysilanethiolato-κ2O,S)sodate top
Crystal data top
[Na(C4H10O2)2][Na(C12H27O3SSi)2]F(000) = 1712
Mr = 785.19Dx = 1.119 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 5568 reflections
a = 15.5007 (9) Åθ = 2–30°
b = 17.4385 (9) ŵ = 0.23 mm1
c = 17.2438 (12) ÅT = 100 K
β = 91.003 (5)°Prism, colourless
V = 4660.4 (5) Å30.37 × 0.25 × 0.21 mm
Z = 4
Data collection top
Oxford Diffraction KM4 CCD
diffractometer
9706 reflections with I > 2σ(I)
Radiation source: Mo Ka radiationRint = 0.035
Graphite monochromatorθmax = 28.0°, θmin = 2.6°
ω scans (0.75° width)h = 2016
28206 measured reflectionsk = 2322
10852 independent reflectionsl = 1122
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.049 w = 1/[σ2(Fo2) + (0.0398P)2 + 4.1211P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.109(Δ/σ)max = 0.01
S = 1.07Δρmax = 0.41 e Å3
10852 reflectionsΔρmin = 0.24 e Å3
455 parameters
Crystal data top
[Na(C4H10O2)2][Na(C12H27O3SSi)2]V = 4660.4 (5) Å3
Mr = 785.19Z = 4
Monoclinic, P21/cMo Kα radiation
a = 15.5007 (9) ŵ = 0.23 mm1
b = 17.4385 (9) ÅT = 100 K
c = 17.2438 (12) Å0.37 × 0.25 × 0.21 mm
β = 91.003 (5)°
Data collection top
Oxford Diffraction KM4 CCD
diffractometer
9706 reflections with I > 2σ(I)
28206 measured reflectionsRint = 0.035
10852 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0490 restraints
wR(F2) = 0.109H-atom parameters constrained
S = 1.07Δρmax = 0.41 e Å3
10852 reflectionsΔρmin = 0.24 e Å3
455 parameters
Special details top

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
S10.11047 (3)0.48300 (2)0.81179 (2)0.01705 (9)
Si10.10119 (3)0.39856 (3)0.72909 (2)0.01301 (10)
S20.37997 (3)0.55740 (2)0.81598 (2)0.01870 (10)
Si20.38303 (3)0.65186 (3)0.74490 (3)0.01362 (10)
Na10.23997 (5)0.52796 (4)0.71783 (4)0.02184 (16)
Na20.25166 (5)0.50381 (4)0.92620 (4)0.01880 (15)
O10.13065 (8)0.31160 (7)0.75447 (7)0.0165 (2)
O20.00445 (8)0.38741 (6)0.68997 (7)0.0154 (2)
O30.17228 (8)0.42071 (7)0.66042 (6)0.0160 (2)
O40.37183 (8)0.73609 (7)0.78547 (7)0.0159 (2)
O50.46992 (8)0.65923 (7)0.69155 (7)0.0179 (3)
O60.29592 (8)0.64637 (7)0.68659 (7)0.0174 (2)
O70.18204 (9)0.62111 (7)0.96255 (7)0.0210 (3)
O80.14297 (10)0.47675 (8)1.02075 (7)0.0283 (3)
O90.35733 (10)0.49795 (8)1.03234 (8)0.0314 (3)
O100.32577 (9)0.38321 (8)0.92518 (7)0.0232 (3)
C10.17845 (15)0.67563 (11)0.90046 (11)0.0279 (4)
H1A0.14340.65490.85750.033*
H1B0.2370.68590.88250.033*
H1C0.15250.72340.91880.033*
C20.09752 (13)0.60309 (11)0.98924 (11)0.0248 (4)
H2A0.06170.58260.94590.03*
H2B0.06940.64991.00910.03*
C30.10559 (14)0.54415 (12)1.05296 (11)0.0275 (4)
H3A0.14270.5641.09580.033*
H3B0.0480.53231.07390.033*
C40.14787 (16)0.41511 (13)1.07449 (12)0.0343 (5)
H4A0.18290.43061.11970.041*
H4B0.17440.37061.04970.041*
H4C0.08970.40161.09110.041*
C50.32992 (14)0.35410 (11)0.84745 (11)0.0276 (4)
H5A0.36410.38910.81580.033*
H5B0.27140.350.82530.033*
H5C0.35710.30340.84820.033*
C60.40974 (13)0.39350 (12)0.95889 (12)0.0294 (4)
H6A0.44370.42910.92680.035*
H6B0.44040.34370.96150.035*
C70.40033 (15)0.42574 (12)1.03901 (12)0.0327 (5)
H7A0.36630.39031.07120.039*
H7B0.45780.43261.06390.039*
C80.35053 (17)0.53529 (14)1.10541 (12)0.0369 (5)
H8A0.31820.50261.14090.044*
H8B0.32030.58421.09850.044*
H8C0.40840.54471.12710.044*
C100.08819 (12)0.25183 (10)0.79776 (10)0.0198 (4)
C110.16067 (14)0.19983 (12)0.82815 (13)0.0333 (5)
H11A0.1940.18060.78450.04*
H11B0.13580.15650.85630.04*
H11C0.19870.22910.86320.04*
C120.03857 (14)0.28629 (11)0.86552 (11)0.0256 (4)
H12A0.07820.31630.89840.031*
H12B0.01320.24490.89610.031*
H12C0.00740.31970.84530.031*
C130.02809 (14)0.20815 (11)0.74279 (11)0.0272 (4)
H13A0.01550.24330.72130.033*
H13B0.00040.16690.77120.033*
H13C0.06150.18620.70050.033*
C200.05848 (12)0.44211 (10)0.66180 (9)0.0170 (3)
C210.11022 (13)0.47248 (11)0.73007 (10)0.0231 (4)
H21A0.13710.42940.75710.028*
H21B0.15520.50750.71080.028*
H21C0.07160.50.76610.028*
C220.11711 (13)0.39714 (11)0.60641 (11)0.0267 (4)
H22A0.08340.37840.56270.032*
H22B0.16350.43060.5870.032*
H22C0.14210.35350.63390.032*
C230.01430 (13)0.50810 (10)0.61906 (10)0.0209 (4)
H23A0.02290.53650.65550.025*
H23B0.05820.54270.59720.025*
H23C0.02070.48730.57720.025*
C300.20179 (12)0.37536 (10)0.59506 (10)0.0196 (4)
C310.13027 (13)0.32443 (11)0.56144 (10)0.0249 (4)
H31A0.11020.28920.60160.03*
H31B0.15260.29490.51780.03*
H31C0.08210.35650.54330.03*
C320.22947 (14)0.43374 (12)0.53413 (11)0.0265 (4)
H32A0.18030.46640.51980.032*
H32B0.24970.40670.48810.032*
H32C0.27620.46560.55550.032*
C330.27847 (15)0.32709 (14)0.62233 (12)0.0333 (5)
H33A0.32260.36050.64560.04*
H33B0.30270.29990.5780.04*
H33C0.25940.28980.66090.04*
C400.42887 (12)0.78526 (10)0.82943 (10)0.0179 (3)
C410.48588 (15)0.73798 (12)0.88415 (12)0.0321 (5)
H41A0.44950.70770.91860.039*
H41B0.52270.77230.91520.039*
H41C0.52210.70350.85380.039*
C420.48319 (15)0.83098 (12)0.77301 (12)0.0314 (5)
H42A0.51830.79580.74250.038*
H42B0.52110.86610.80210.038*
H42C0.44520.86050.73820.038*
C430.37049 (14)0.83862 (11)0.87549 (12)0.0277 (4)
H43A0.3340.86830.83950.033*
H43B0.40610.87360.90690.033*
H43C0.3340.80810.90950.033*
C500.51798 (13)0.60245 (10)0.64907 (11)0.0225 (4)
C510.45863 (14)0.54111 (11)0.61392 (11)0.0264 (4)
H51A0.43050.51280.65560.032*
H51B0.49270.50550.58280.032*
H51C0.41460.56560.58080.032*
C520.58426 (15)0.56598 (13)0.70438 (13)0.0348 (5)
H52A0.62190.60590.72620.042*
H52B0.6190.52880.6760.042*
H52C0.55430.53980.74640.042*
C530.56241 (16)0.64583 (13)0.58404 (13)0.0354 (5)
H53A0.51910.67340.55280.042*
H53B0.59290.60940.55110.042*
H53C0.60370.68250.60650.042*
C600.25821 (13)0.70408 (10)0.63528 (10)0.0207 (4)
C610.32759 (14)0.74389 (12)0.58808 (11)0.0288 (4)
H61A0.36770.77080.62320.035*
H61B0.30040.78090.55250.035*
H61C0.35920.70560.55820.035*
C620.19649 (17)0.66017 (13)0.58162 (13)0.0393 (6)
H62A0.2290.62270.55150.047*
H62B0.16740.69620.54620.047*
H62C0.15340.63350.61260.047*
C630.20836 (14)0.76242 (13)0.68312 (12)0.0299 (4)
H63A0.16570.73560.71450.036*
H63B0.17880.79860.64830.036*
H63C0.24860.79040.71730.036*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
S10.0174 (2)0.0183 (2)0.01536 (18)0.00195 (16)0.00216 (15)0.00468 (15)
Si10.0140 (2)0.0125 (2)0.0125 (2)0.00087 (16)0.00135 (16)0.00029 (15)
S20.0192 (2)0.0180 (2)0.01879 (19)0.00234 (16)0.00245 (16)0.00608 (15)
Si20.0135 (2)0.0136 (2)0.0136 (2)0.00157 (17)0.00176 (16)0.00125 (16)
Na10.0250 (4)0.0214 (4)0.0190 (3)0.0095 (3)0.0027 (3)0.0011 (3)
Na20.0210 (4)0.0188 (3)0.0165 (3)0.0032 (3)0.0012 (3)0.0018 (3)
O10.0163 (6)0.0144 (6)0.0187 (6)0.0005 (5)0.0005 (5)0.0029 (4)
O20.0165 (6)0.0115 (5)0.0182 (6)0.0001 (4)0.0041 (5)0.0008 (4)
O30.0167 (6)0.0175 (6)0.0137 (5)0.0015 (5)0.0003 (4)0.0020 (4)
O40.0139 (6)0.0159 (6)0.0178 (5)0.0015 (5)0.0036 (4)0.0019 (4)
O50.0187 (7)0.0155 (6)0.0197 (6)0.0001 (5)0.0032 (5)0.0009 (4)
O60.0195 (7)0.0151 (6)0.0172 (5)0.0024 (5)0.0064 (5)0.0025 (4)
O70.0233 (7)0.0190 (6)0.0207 (6)0.0011 (5)0.0009 (5)0.0004 (5)
O80.0424 (9)0.0224 (7)0.0202 (6)0.0020 (6)0.0068 (6)0.0027 (5)
O90.0433 (10)0.0240 (7)0.0264 (7)0.0052 (6)0.0148 (6)0.0013 (5)
O100.0199 (7)0.0228 (6)0.0268 (7)0.0029 (5)0.0035 (5)0.0002 (5)
C10.0410 (13)0.0171 (9)0.0257 (9)0.0026 (8)0.0028 (8)0.0019 (7)
C20.0235 (10)0.0269 (9)0.0241 (9)0.0023 (8)0.0045 (7)0.0053 (7)
C30.0312 (11)0.0309 (10)0.0207 (9)0.0064 (8)0.0086 (8)0.0049 (7)
C40.0361 (13)0.0353 (11)0.0315 (10)0.0095 (9)0.0009 (9)0.0129 (9)
C50.0324 (12)0.0187 (9)0.0316 (10)0.0050 (8)0.0001 (8)0.0019 (7)
C60.0206 (11)0.0271 (10)0.0403 (11)0.0057 (8)0.0063 (8)0.0049 (8)
C70.0348 (13)0.0256 (10)0.0371 (11)0.0033 (9)0.0151 (9)0.0078 (8)
C80.0432 (15)0.0351 (12)0.0320 (11)0.0037 (10)0.0111 (10)0.0042 (9)
C100.0221 (10)0.0160 (8)0.0214 (8)0.0018 (7)0.0019 (7)0.0051 (6)
C110.0300 (12)0.0244 (10)0.0455 (12)0.0035 (8)0.0011 (9)0.0175 (9)
C120.0312 (11)0.0250 (9)0.0207 (8)0.0039 (8)0.0053 (8)0.0038 (7)
C130.0335 (12)0.0184 (9)0.0297 (10)0.0073 (8)0.0012 (8)0.0010 (7)
C200.0162 (9)0.0176 (8)0.0171 (7)0.0018 (6)0.0041 (6)0.0007 (6)
C210.0221 (10)0.0258 (9)0.0213 (8)0.0042 (7)0.0009 (7)0.0004 (7)
C220.0236 (11)0.0260 (10)0.0299 (10)0.0008 (8)0.0117 (8)0.0052 (8)
C230.0228 (10)0.0187 (8)0.0213 (8)0.0029 (7)0.0016 (7)0.0036 (7)
C300.0207 (10)0.0229 (8)0.0153 (7)0.0005 (7)0.0030 (7)0.0029 (6)
C310.0298 (11)0.0261 (9)0.0190 (8)0.0041 (8)0.0034 (7)0.0081 (7)
C320.0269 (11)0.0335 (10)0.0192 (8)0.0051 (8)0.0054 (7)0.0003 (7)
C330.0289 (12)0.0426 (12)0.0284 (10)0.0141 (10)0.0005 (8)0.0025 (9)
C400.0163 (9)0.0184 (8)0.0187 (8)0.0031 (7)0.0042 (6)0.0032 (6)
C410.0339 (13)0.0289 (10)0.0328 (10)0.0007 (9)0.0189 (9)0.0037 (8)
C420.0323 (12)0.0285 (10)0.0334 (10)0.0133 (9)0.0050 (9)0.0027 (8)
C430.0296 (11)0.0253 (9)0.0284 (9)0.0032 (8)0.0024 (8)0.0097 (8)
C500.0216 (10)0.0202 (9)0.0257 (9)0.0021 (7)0.0052 (7)0.0025 (7)
C510.0297 (11)0.0209 (9)0.0287 (9)0.0005 (8)0.0036 (8)0.0065 (7)
C520.0241 (12)0.0368 (12)0.0433 (12)0.0098 (9)0.0025 (9)0.0036 (9)
C530.0392 (13)0.0311 (11)0.0367 (11)0.0025 (9)0.0205 (10)0.0023 (9)
C600.0245 (10)0.0189 (8)0.0183 (8)0.0008 (7)0.0092 (7)0.0024 (6)
C610.0385 (13)0.0262 (10)0.0216 (9)0.0031 (8)0.0010 (8)0.0094 (7)
C620.0487 (15)0.0281 (11)0.0401 (12)0.0058 (10)0.0313 (11)0.0039 (9)
C630.0245 (11)0.0355 (11)0.0296 (10)0.0096 (9)0.0063 (8)0.0009 (8)
Geometric parameters (Å, º) top
Na1—S12.7172 (9)C13—H13A0.98
Na1—S22.7765 (9)C13—H13B0.98
Na1—O62.3070 (14)C13—H13C0.98
Na1—O32.3542 (14)C20—C221.524 (2)
Na2—S12.9431 (8)C20—C211.531 (2)
Na2—S22.9281 (8)C20—C231.534 (2)
Na2—O102.3965 (15)C21—H21A0.98
Na2—O72.4012 (14)C21—H21B0.98
Na2—O82.4116 (15)C21—H21C0.98
Na2—O92.4368 (16)C22—H22A0.98
S1—Si12.0533 (6)C22—H22B0.98
Si1—O11.6409 (12)C22—H22C0.98
Si1—O21.6450 (13)C23—H23A0.98
Si1—O31.6767 (12)C23—H23B0.98
S2—Si22.0542 (6)C23—H23C0.98
Si2—O41.6375 (12)C30—C331.524 (3)
Si2—O51.6494 (13)C30—C311.527 (3)
Si2—O61.6720 (13)C30—C321.530 (3)
Si2—Na13.1252 (8)C31—H31A0.98
O1—C101.447 (2)C31—H31B0.98
O2—C201.443 (2)C31—H31C0.98
O3—C301.457 (2)C32—H32A0.98
O4—C401.438 (2)C32—H32B0.98
O5—C501.446 (2)C32—H32C0.98
O6—C601.456 (2)C33—H33A0.98
O7—C21.431 (2)C33—H33B0.98
O7—C11.432 (2)C33—H33C0.98
O8—C41.420 (2)C40—C421.523 (3)
O8—C31.427 (2)C40—C411.524 (3)
O9—C81.424 (3)C40—C431.530 (3)
O9—C71.429 (2)C41—H41A0.98
O10—C61.427 (3)C41—H41B0.98
O10—C51.436 (2)C41—H41C0.98
C1—H1A0.98C42—H42A0.98
C1—H1B0.98C42—H42B0.98
C1—H1C0.98C42—H42C0.98
C2—C31.508 (3)C43—H43A0.98
C2—H2A0.99C43—H43B0.98
C2—H2B0.99C43—H43C0.98
C3—H3A0.99C50—C531.527 (3)
C3—H3B0.99C50—C521.528 (3)
C4—H4A0.98C50—C511.529 (3)
C4—H4B0.98C51—H51A0.98
C4—H4C0.98C51—H51B0.98
C5—H5A0.98C51—H51C0.98
C5—H5B0.98C52—H52A0.98
C5—H5C0.98C52—H52B0.98
C6—C71.501 (3)C52—H52C0.98
C6—H6A0.99C53—H53A0.98
C6—H6B0.99C53—H53B0.98
C7—H7A0.99C53—H53C0.98
C7—H7B0.99C60—C621.525 (3)
C8—H8A0.98C60—C611.527 (3)
C8—H8B0.98C60—C631.528 (3)
C8—H8C0.98C61—H61A0.98
C10—C131.522 (3)C61—H61B0.98
C10—C111.529 (3)C61—H61C0.98
C10—C121.533 (3)C62—H62A0.98
C11—H11A0.98C62—H62B0.98
C11—H11B0.98C62—H62C0.98
C11—H11C0.98C63—H63A0.98
C12—H12A0.98C63—H63B0.98
C12—H12B0.98C63—H63C0.98
C12—H12C0.98
Si1—S1—Na180.58 (2)O1—C10—C12110.46 (14)
Si1—S1—Na2126.60 (3)C13—C10—C12111.17 (16)
Na1—S1—Na279.38 (2)C11—C10—C12110.29 (16)
O1—Si1—O2104.33 (6)C10—C11—H11A109.5
O1—Si1—O3102.59 (6)C10—C11—H11B109.5
O2—Si1—O3110.09 (6)H11A—C11—H11B109.5
O1—Si1—S1117.49 (5)C10—C11—H11C109.5
O2—Si1—S1114.95 (5)H11A—C11—H11C109.5
O3—Si1—S1106.64 (5)H11B—C11—H11C109.5
O1—Si1—Na1119.67 (5)C10—C12—H12A109.5
O2—Si1—Na1133.10 (5)C10—C12—H12B109.5
O3—Si1—Na147.80 (4)H12A—C12—H12B109.5
S1—Si1—Na159.03 (2)C10—C12—H12C109.5
Si2—S2—Na179.08 (2)H12A—C12—H12C109.5
Si2—S2—Na2131.77 (3)H12B—C12—H12C109.5
Na1—S2—Na278.70 (2)C10—C13—H13A109.5
O4—Si2—O5105.19 (6)C10—C13—H13B109.5
O4—Si2—O6102.58 (6)H13A—C13—H13B109.5
O5—Si2—O6109.13 (6)C10—C13—H13C109.5
O4—Si2—S2117.44 (5)H13A—C13—H13C109.5
O5—Si2—S2115.01 (5)H13B—C13—H13C109.5
O6—Si2—S2106.62 (5)O2—C20—C22105.25 (14)
O4—Si2—Na1127.14 (5)O2—C20—C21109.27 (13)
O5—Si2—Na1123.70 (5)C22—C20—C21110.20 (16)
O6—Si2—Na146.15 (4)O2—C20—C23110.67 (14)
S2—Si2—Na160.73 (2)C22—C20—C23110.56 (15)
O6—Na1—O3141.21 (5)C21—C20—C23110.74 (14)
O6—Na1—S1133.01 (5)C20—C21—H21A109.5
O3—Na1—S172.12 (3)C20—C21—H21B109.5
O6—Na1—S271.57 (4)H21A—C21—H21B109.5
O3—Na1—S2137.82 (4)C20—C21—H21C109.5
S1—Na1—S2105.52 (3)H21A—C21—H21C109.5
O6—Na1—Si231.51 (3)H21B—C21—H21C109.5
O3—Na1—Si2157.20 (4)C20—C22—H22A109.5
S1—Na1—Si2129.80 (3)C20—C22—H22B109.5
S2—Na1—Si240.194 (15)H22A—C22—H22B109.5
O6—Na1—Si1157.30 (5)C20—C22—H22C109.5
O3—Na1—Si131.84 (3)H22A—C22—H22C109.5
S1—Na1—Si140.388 (15)H22B—C22—H22C109.5
S2—Na1—Si1128.83 (3)C20—C23—H23A109.5
Si2—Na1—Si1167.69 (3)C20—C23—H23B109.5
O6—Na1—Na2108.87 (4)H23A—C23—H23B109.5
O3—Na1—Na2109.83 (4)C20—C23—H23C109.5
S1—Na1—Na253.063 (19)H23A—C23—H23C109.5
S2—Na1—Na252.506 (19)H23B—C23—H23C109.5
Si2—Na1—Na284.78 (2)O3—C30—C33108.35 (14)
Si1—Na1—Na282.93 (2)O3—C30—C31111.95 (14)
O10—Na2—O7165.28 (5)C33—C30—C31110.68 (17)
O10—Na2—O8100.02 (5)O3—C30—C32105.40 (14)
O7—Na2—O870.59 (5)C33—C30—C32110.66 (17)
O10—Na2—O969.68 (5)C31—C30—C32109.68 (15)
O7—Na2—O997.98 (5)C30—C31—H31A109.5
O8—Na2—O987.27 (6)C30—C31—H31B109.5
O10—Na2—S286.80 (4)H31A—C31—H31B109.5
O7—Na2—S2102.18 (4)C30—C31—H31C109.5
O8—Na2—S2172.66 (4)H31A—C31—H31C109.5
O9—Na2—S292.62 (5)H31B—C31—H31C109.5
O10—Na2—S1103.76 (4)C30—C32—H32A109.5
O7—Na2—S187.00 (4)C30—C32—H32B109.5
O8—Na2—S184.78 (4)H32A—C32—H32B109.5
O9—Na2—S1168.65 (5)C30—C32—H32C109.5
S2—Na2—S196.30 (2)H32A—C32—H32C109.5
O10—Na2—Na196.34 (4)H32B—C32—H32C109.5
O7—Na2—Na198.34 (4)C30—C33—H33A109.5
O8—Na2—Na1132.11 (5)C30—C33—H33B109.5
O9—Na2—Na1140.52 (5)H33A—C33—H33B109.5
S2—Na2—Na148.791 (18)C30—C33—H33C109.5
S1—Na2—Na147.556 (18)H33A—C33—H33C109.5
C10—O1—Si1132.56 (11)H33B—C33—H33C109.5
C20—O2—Si1131.77 (10)O4—C40—C42108.49 (14)
C30—O3—Si1129.81 (11)O4—C40—C41110.39 (14)
C30—O3—Na1127.80 (10)C42—C40—C41110.96 (17)
Si1—O3—Na1100.35 (6)O4—C40—C43105.81 (15)
C40—O4—Si2133.73 (11)C42—C40—C43110.60 (16)
C50—O5—Si2131.47 (11)C41—C40—C43110.45 (16)
C60—O6—Si2129.59 (11)C40—C41—H41A109.5
C60—O6—Na1127.74 (10)C40—C41—H41B109.5
Si2—O6—Na1102.34 (6)H41A—C41—H41B109.5
C2—O7—C1111.26 (15)C40—C41—H41C109.5
C2—O7—Na2108.36 (10)H41A—C41—H41C109.5
C1—O7—Na2112.46 (10)H41B—C41—H41C109.5
C4—O8—C3112.75 (15)C40—C42—H42A109.5
C4—O8—Na2124.00 (13)C40—C42—H42B109.5
C3—O8—Na2113.28 (11)H42A—C42—H42B109.5
C8—O9—C7111.93 (16)C40—C42—H42C109.5
C8—O9—Na2125.89 (14)H42A—C42—H42C109.5
C7—O9—Na2113.83 (12)H42B—C42—H42C109.5
C6—O10—C5111.67 (15)C40—C43—H43A109.5
C6—O10—Na2108.69 (11)C40—C43—H43B109.5
C5—O10—Na2110.27 (11)H43A—C43—H43B109.5
O7—C1—H1A109.5C40—C43—H43C109.5
O7—C1—H1B109.5H43A—C43—H43C109.5
H1A—C1—H1B109.5H43B—C43—H43C109.5
O7—C1—H1C109.5O5—C50—C53106.01 (15)
H1A—C1—H1C109.5O5—C50—C52108.38 (15)
H1B—C1—H1C109.5C53—C50—C52110.96 (18)
O7—C2—C3108.62 (16)O5—C50—C51111.60 (15)
O7—C2—H2A110C53—C50—C51109.36 (16)
C3—C2—H2A110C52—C50—C51110.45 (17)
O7—C2—H2B110C50—C51—H51A109.5
C3—C2—H2B110C50—C51—H51B109.5
H2A—C2—H2B108.3H51A—C51—H51B109.5
O8—C3—C2107.87 (14)C50—C51—H51C109.5
O8—C3—H3A110.1H51A—C51—H51C109.5
C2—C3—H3A110.1H51B—C51—H51C109.5
O8—C3—H3B110.1C50—C52—H52A109.5
C2—C3—H3B110.1C50—C52—H52B109.5
H3A—C3—H3B108.4H52A—C52—H52B109.5
O8—C4—H4A109.5C50—C52—H52C109.5
O8—C4—H4B109.5H52A—C52—H52C109.5
H4A—C4—H4B109.5H52B—C52—H52C109.5
O8—C4—H4C109.5C50—C53—H53A109.5
H4A—C4—H4C109.5C50—C53—H53B109.5
H4B—C4—H4C109.5H53A—C53—H53B109.5
O10—C5—H5A109.5C50—C53—H53C109.5
O10—C5—H5B109.5H53A—C53—H53C109.5
H5A—C5—H5B109.5H53B—C53—H53C109.5
O10—C5—H5C109.5O6—C60—C62105.22 (14)
H5A—C5—H5C109.5O6—C60—C61111.05 (15)
H5B—C5—H5C109.5C62—C60—C61110.18 (17)
O10—C6—C7108.63 (17)O6—C60—C63109.49 (14)
O10—C6—H6A110C62—C60—C63110.12 (18)
C7—C6—H6A110C61—C60—C63110.65 (16)
O10—C6—H6B110C60—C61—H61A109.5
C7—C6—H6B110C60—C61—H61B109.5
H6A—C6—H6B108.3H61A—C61—H61B109.5
O9—C7—C6107.98 (16)C60—C61—H61C109.5
O9—C7—H7A110.1H61A—C61—H61C109.5
C6—C7—H7A110.1H61B—C61—H61C109.5
O9—C7—H7B110.1C60—C62—H62A109.5
C6—C7—H7B110.1C60—C62—H62B109.5
H7A—C7—H7B108.4H62A—C62—H62B109.5
O9—C8—H8A109.5C60—C62—H62C109.5
O9—C8—H8B109.5H62A—C62—H62C109.5
H8A—C8—H8B109.5H62B—C62—H62C109.5
O9—C8—H8C109.5C60—C63—H63A109.5
H8A—C8—H8C109.5C60—C63—H63B109.5
H8B—C8—H8C109.5H63A—C63—H63B109.5
O1—C10—C13108.55 (14)C60—C63—H63C109.5
O1—C10—C11105.42 (15)H63A—C63—H63C109.5
C13—C10—C11110.78 (16)H63B—C63—H63C109.5
Na1—S1—Si1—O1109.79 (6)O2—Si1—O1—C1049.80 (16)
Na2—S1—Si1—O140.64 (6)O3—Si1—O1—C10164.65 (14)
Na1—S1—Si1—O2126.85 (5)S1—Si1—O1—C1078.80 (15)
Na2—S1—Si1—O2164.01 (5)Na1—Si1—O1—C10147.02 (13)
Na1—S1—Si1—O34.54 (5)O1—Si1—O2—C20174.60 (13)
Na2—S1—Si1—O373.69 (6)O3—Si1—O2—C2075.95 (14)
Na2—S1—Si1—Na169.15 (3)S1—Si1—O2—C2044.48 (15)
Na1—S2—Si2—O4119.26 (6)Na1—Si1—O2—C2025.54 (16)
Na2—S2—Si2—O455.36 (7)O1—Si1—O3—C3045.61 (15)
Na1—S2—Si2—O5116.12 (6)O2—Si1—O3—C3064.99 (15)
Na2—S2—Si2—O5179.98 (5)S1—Si1—O3—C30169.69 (13)
Na1—S2—Si2—O64.99 (5)Na1—Si1—O3—C30164.43 (17)
Na2—S2—Si2—O658.91 (6)O1—Si1—O3—Na1118.83 (6)
Na2—S2—Si2—Na163.90 (3)O2—Si1—O3—Na1130.58 (6)
Si1—S1—Na1—O6148.26 (6)S1—Si1—O3—Na15.26 (6)
Na2—S1—Na1—O681.49 (6)O6—Na1—O3—C3053.14 (17)
Si1—S1—Na1—O33.26 (4)S1—Na1—O3—C30168.88 (13)
Na2—S1—Na1—O3133.50 (4)S2—Na1—O3—C3075.28 (14)
Si1—S1—Na1—S2132.68 (3)Si2—Na1—O3—C303.4 (2)
Na2—S1—Na1—S22.43 (3)Si1—Na1—O3—C30164.88 (16)
Si1—S1—Na1—Si2169.50 (4)Na2—Na1—O3—C30130.83 (12)
Na2—S1—Na1—Si239.25 (4)O6—Na1—O3—Si1141.98 (8)
Na2—S1—Na1—Si1130.25 (3)S1—Na1—O3—Si14.00 (4)
Si1—S1—Na1—Na2130.25 (3)S2—Na1—O3—Si189.60 (7)
Si2—S2—Na1—O63.65 (4)Si2—Na1—O3—Si1161.52 (8)
Na2—S2—Na1—O6133.27 (4)Na2—Na1—O3—Si134.05 (6)
Si2—S2—Na1—O3145.20 (6)O5—Si2—O4—C4051.50 (15)
Na2—S2—Na1—O377.88 (6)O6—Si2—O4—C40165.61 (14)
Si2—S2—Na1—S1134.48 (3)S2—Si2—O4—C4077.90 (15)
Na2—S2—Na1—S12.45 (3)Na1—Si2—O4—C40150.56 (12)
Na2—S2—Na1—Si2136.92 (3)O4—Si2—O5—C50172.22 (15)
Si2—S2—Na1—Si1172.17 (4)O6—Si2—O5—C5078.33 (16)
Na2—S2—Na1—Si135.25 (4)S2—Si2—O5—C5041.41 (16)
Si2—S2—Na1—Na2136.92 (3)Na1—Si2—O5—C5028.88 (17)
O4—Si2—Na1—O669.59 (8)O4—Si2—O6—C6043.70 (15)
O5—Si2—Na1—O684.59 (8)O5—Si2—O6—C6067.50 (15)
S2—Si2—Na1—O6173.36 (7)S2—Si2—O6—C60167.71 (13)
O4—Si2—Na1—O3157.76 (11)Na1—Si2—O6—C60173.75 (17)
O5—Si2—Na1—O33.58 (13)O4—Si2—O6—Na1130.05 (6)
O6—Si2—Na1—O388.17 (12)O5—Si2—O6—Na1118.75 (6)
S2—Si2—Na1—O398.47 (11)S2—Si2—O6—Na16.04 (6)
O4—Si2—Na1—S140.28 (7)O3—Na1—O6—C6044.28 (17)
O5—Si2—Na1—S1165.54 (6)S1—Na1—O6—C6075.11 (14)
O6—Si2—Na1—S1109.87 (7)S2—Na1—O6—C60169.40 (13)
S2—Si2—Na1—S163.49 (4)Si2—Na1—O6—C60173.91 (16)
O4—Si2—Na1—S2103.77 (6)Si1—Na1—O6—C6013.1 (2)
O5—Si2—Na1—S2102.05 (6)Na2—Na1—O6—C60131.77 (12)
O6—Si2—Na1—S2173.36 (7)O3—Na1—O6—Si2141.81 (8)
O4—Si2—Na1—Si173.93 (16)S1—Na1—O6—Si298.80 (7)
O5—Si2—Na1—Si1131.90 (15)S2—Na1—O6—Si24.51 (5)
O6—Si2—Na1—Si1143.51 (16)Si1—Na1—O6—Si2160.83 (8)
S2—Si2—Na1—Si129.85 (14)Na2—Na1—O6—Si242.14 (7)
O4—Si2—Na1—Na270.81 (6)O10—Na2—O7—C277.2 (3)
O5—Si2—Na1—Na2135.02 (6)O8—Na2—O7—C225.19 (11)
O6—Si2—Na1—Na2140.40 (7)O9—Na2—O7—C2109.42 (11)
S2—Si2—Na1—Na232.97 (2)S2—Na2—O7—C2156.14 (10)
O1—Si1—Na1—O6168.57 (11)S1—Na2—O7—C260.33 (11)
O2—Si1—Na1—O611.15 (14)Na1—Na2—O7—C2106.64 (10)
O3—Si1—Na1—O688.82 (12)O10—Na2—O7—C1159.4 (2)
S1—Si1—Na1—O685.30 (11)O8—Na2—O7—C1148.59 (13)
O1—Si1—Na1—O379.75 (8)O9—Na2—O7—C1127.18 (13)
O2—Si1—Na1—O377.67 (9)S2—Na2—O7—C132.73 (13)
S1—Si1—Na1—O3174.12 (7)S1—Na2—O7—C163.07 (12)
O1—Si1—Na1—S1106.13 (6)Na1—Na2—O7—C116.76 (13)
O2—Si1—Na1—S196.45 (7)O10—Na2—O8—C417.95 (16)
O3—Si1—Na1—S1174.12 (7)O7—Na2—O8—C4150.32 (16)
O1—Si1—Na1—S240.71 (7)O9—Na2—O8—C450.87 (15)
O2—Si1—Na1—S2161.86 (6)S1—Na2—O8—C4121.03 (15)
O3—Si1—Na1—S2120.47 (7)Na1—Na2—O8—C4126.06 (14)
S1—Si1—Na1—S265.41 (4)O10—Na2—O8—C3160.89 (13)
O1—Si1—Na1—Si265.06 (16)O7—Na2—O8—C37.38 (13)
O2—Si1—Na1—Si2137.51 (14)O9—Na2—O8—C392.07 (13)
O3—Si1—Na1—Si2144.81 (16)S1—Na2—O8—C396.03 (13)
S1—Si1—Na1—Si241.06 (14)Na1—Na2—O8—C391.00 (13)
O1—Si1—Na1—Na268.19 (5)O10—Na2—O9—C8149.46 (17)
O2—Si1—Na1—Na2134.38 (6)O7—Na2—O9—C822.23 (17)
O3—Si1—Na1—Na2147.94 (6)O8—Na2—O9—C847.73 (16)
S1—Si1—Na1—Na237.93 (2)S2—Na2—O9—C8124.93 (16)
Si2—S2—Na2—O10165.36 (4)S1—Na2—O9—C893.2 (3)
Na1—S2—Na2—O10101.31 (4)Na1—Na2—O9—C8135.86 (15)
Si2—S2—Na2—O726.42 (5)O10—Na2—O9—C74.00 (14)
Na1—S2—Na2—O790.47 (4)O7—Na2—O9—C7167.69 (14)
Si2—S2—Na2—O9125.17 (5)O8—Na2—O9—C797.73 (14)
Na1—S2—Na2—O9170.78 (4)S2—Na2—O9—C789.62 (14)
Si2—S2—Na2—S161.86 (4)S1—Na2—O9—C752.2 (3)
Na1—S2—Na2—S12.19 (2)Na1—Na2—O9—C778.69 (16)
Si2—S2—Na2—Na164.05 (3)O7—Na2—O10—C662.1 (3)
Si1—S1—Na2—O1016.29 (5)O8—Na2—O10—C6111.13 (12)
Na1—S1—Na2—O1086.00 (4)O9—Na2—O10—C627.85 (12)
Si1—S1—Na2—O7173.88 (4)S2—Na2—O10—C666.13 (12)
Na1—S1—Na2—O7104.17 (4)S1—Na2—O10—C6161.84 (11)
Si1—S1—Na2—O8115.35 (4)Na1—Na2—O10—C6114.05 (11)
Na1—S1—Na2—O8174.94 (4)O7—Na2—O10—C5175.2 (2)
Si1—S1—Na2—O969.7 (2)O8—Na2—O10—C5126.15 (12)
Na1—S1—Na2—O9139.4 (2)O9—Na2—O10—C5150.56 (13)
Si1—S1—Na2—S271.94 (3)S2—Na2—O10—C556.58 (12)
Na1—S1—Na2—S22.23 (2)S1—Na2—O10—C539.13 (13)
Si1—S1—Na2—Na169.71 (3)Na1—Na2—O10—C58.66 (12)
O6—Na1—Na2—O10126.98 (6)C1—O7—C2—C3178.58 (15)
O3—Na1—Na2—O1055.65 (6)Na2—O7—C2—C354.45 (15)
S1—Na1—Na2—O10102.86 (4)C4—O8—C3—C2175.68 (17)
S2—Na1—Na2—O1080.09 (4)Na2—O8—C3—C237.12 (19)
Si2—Na1—Na2—O10106.36 (4)O7—C2—C3—O862.1 (2)
Si1—Na1—Na2—O1072.97 (4)C5—O10—C6—C7178.63 (15)
O6—Na1—Na2—O752.04 (6)Na2—O10—C6—C756.76 (17)
O3—Na1—Na2—O7125.33 (5)C8—O9—C7—C6176.18 (19)
S1—Na1—Na2—O778.12 (4)Na2—O9—C7—C633.5 (2)
S2—Na1—Na2—O798.92 (4)O10—C6—C7—O960.7 (2)
Si2—Na1—Na2—O772.65 (4)Si1—O1—C10—C1383.14 (18)
Si1—Na1—Na2—O7108.02 (4)Si1—O1—C10—C11158.12 (14)
O6—Na1—Na2—O8123.36 (7)Si1—O1—C10—C1239.0 (2)
O3—Na1—Na2—O854.01 (7)Si1—O2—C20—C22159.01 (13)
S1—Na1—Na2—O86.80 (6)Si1—O2—C20—C2182.66 (18)
S2—Na1—Na2—O8170.25 (6)Si1—O2—C20—C2339.54 (19)
Si2—Na1—Na2—O8143.98 (6)Si1—O3—C30—C3387.80 (18)
Si1—Na1—Na2—O836.69 (6)Na1—O3—C30—C3372.68 (18)
O6—Na1—Na2—O961.47 (8)Si1—O3—C30—C3134.5 (2)
O3—Na1—Na2—O9121.16 (7)Na1—O3—C30—C31165.00 (11)
S1—Na1—Na2—O9168.37 (7)Si1—O3—C30—C32153.71 (13)
S2—Na1—Na2—O914.58 (7)Na1—O3—C30—C3245.81 (19)
Si2—Na1—Na2—O940.85 (7)Si2—O4—C40—C4282.76 (19)
Si1—Na1—Na2—O9138.48 (7)Si2—O4—C40—C4139.0 (2)
O6—Na1—Na2—S246.89 (4)Si2—O4—C40—C43158.54 (13)
O3—Na1—Na2—S2135.74 (5)Si2—O5—C50—C53154.27 (15)
S1—Na1—Na2—S2177.05 (3)Si2—O5—C50—C5286.55 (19)
Si2—Na1—Na2—S226.271 (17)Si2—O5—C50—C5135.3 (2)
Si1—Na1—Na2—S2153.06 (3)Si2—O6—C60—C62164.79 (15)
O6—Na1—Na2—S1130.16 (5)Na1—O6—C60—C6222.9 (2)
O3—Na1—Na2—S147.21 (4)Si2—O6—C60—C6145.6 (2)
S2—Na1—Na2—S1177.05 (3)Na1—O6—C60—C61142.14 (13)
Si2—Na1—Na2—S1150.78 (3)Si2—O6—C60—C6376.89 (19)
Si1—Na1—Na2—S129.892 (17)Na1—O6—C60—C6395.38 (16)

Experimental details

Crystal data
Chemical formula[Na(C4H10O2)2][Na(C12H27O3SSi)2]
Mr785.19
Crystal system, space groupMonoclinic, P21/c
Temperature (K)100
a, b, c (Å)15.5007 (9), 17.4385 (9), 17.2438 (12)
β (°) 91.003 (5)
V3)4660.4 (5)
Z4
Radiation typeMo Kα
µ (mm1)0.23
Crystal size (mm)0.37 × 0.25 × 0.21
Data collection
DiffractometerOxford Diffraction KM4 CCD
diffractometer
Absorption correction
No. of measured, independent and
observed [I > 2σ(I)] reflections
28206, 10852, 9706
Rint0.035
(sin θ/λ)max1)0.661
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.049, 0.109, 1.07
No. of reflections10852
No. of parameters455
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.41, 0.24

Computer programs: CrysAlis CCD (Oxford Diffraction, 2005), CrysAlis RED (Oxford Diffraction, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997), WinGX (Farrugia, 1999).

Selected geometric parameters (Å, º) top
Na1—S12.7172 (9)Na2—S22.9281 (8)
Na1—S22.7765 (9)Na2—O102.3965 (15)
Na1—O62.3070 (14)Na2—O72.4012 (14)
Na1—O32.3542 (14)Na2—O82.4116 (15)
Na2—S12.9431 (8)Na2—O92.4368 (16)
S1—Si1—O1—C1078.80 (15)S2—Si2—O4—C4077.90 (15)
S1—Si1—O2—C2044.48 (15)S2—Si2—O5—C5041.41 (16)
S1—Si1—O3—C30169.69 (13)S2—Si2—O6—C60167.71 (13)
 

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