A study of chirality in bis­(1,2-di­methoxy­ethane-κ²O,O′)sodium bis­(tri-tert-butoxy­silanethiol­ato-κ²O,S)sodate

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.

S1. Comment

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(O^tBu)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(O^tBu)₃ groups are of the same chirality in the anionic fragment {[(M)-(^tBuO)₃SiS]-Na-[(M)-SSi(O^tBu)₃]}^- of the molecule (or {[(P)-(^tBuO)₃SiS]-Na-[(P)-SSi(O^tBu)₃]}^-), exactly as in compound (I). The same holds for the anion in the lithiate [Li₂(D₂O)₆]²⁺.2H₂O.2{Li[SSi(O^tBu)₃]₂}^- (Kloskowska et al., 2006b).

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

S2. Experimental

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.

S3. Refinement

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

Computing details

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

	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
	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

Crystal data

[Na(C4H10O2)2][Na(C12H27O3SSi)2]	F(000) = 1712
Mr = 785.19	Dx = 1.119 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5568 reflections
a = 15.5007 (9) Å	θ = 2–30°
b = 17.4385 (9) Å	µ = 0.23 mm^−1
c = 17.2438 (12) Å	T = 100 K
β = 91.003 (5)°	Prism, colourless
V = 4660.4 (5) Å^3	0.37 × 0.25 × 0.21 mm
Z = 4

Data collection

Oxford Diffraction KM4 CCD diffractometer	9706 reflections with I > 2σ(I)
Radiation source: Mo Ka radiation	Rint = 0.035
Graphite monochromator	θmax = 28.0°, θmin = 2.6°
ω scans (0.75° width)	h = −20→16
28206 measured reflections	k = −23→22
10852 independent reflections	l = −11→22

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.049	w = 1/[σ^2(Fo^2) + (0.0398P)^2 + 4.1211P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.109	(Δ/σ)max = 0.01
S = 1.07	Δρmax = 0.41 e Å^−3
10852 reflections	Δρmin = −0.24 e Å^−3
455 parameters

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
S1	0.11047 (3)	0.48300 (2)	0.81179 (2)	0.01705 (9)
Si1	0.10119 (3)	0.39856 (3)	0.72909 (2)	0.01301 (10)
S2	0.37997 (3)	0.55740 (2)	0.81598 (2)	0.01870 (10)
Si2	0.38303 (3)	0.65186 (3)	0.74490 (3)	0.01362 (10)
Na1	0.23997 (5)	0.52796 (4)	0.71783 (4)	0.02184 (16)
Na2	0.25166 (5)	0.50381 (4)	0.92620 (4)	0.01880 (15)
O1	0.13065 (8)	0.31160 (7)	0.75447 (7)	0.0165 (2)
O2	0.00445 (8)	0.38741 (6)	0.68997 (7)	0.0154 (2)
O3	0.17228 (8)	0.42071 (7)	0.66042 (6)	0.0160 (2)
O4	0.37183 (8)	0.73609 (7)	0.78547 (7)	0.0159 (2)
O5	0.46992 (8)	0.65923 (7)	0.69155 (7)	0.0179 (3)
O6	0.29592 (8)	0.64637 (7)	0.68659 (7)	0.0174 (2)
O7	0.18204 (9)	0.62111 (7)	0.96255 (7)	0.0210 (3)
O8	0.14297 (10)	0.47675 (8)	1.02075 (7)	0.0283 (3)
O9	0.35733 (10)	0.49795 (8)	1.03234 (8)	0.0314 (3)
O10	0.32577 (9)	0.38321 (8)	0.92518 (7)	0.0232 (3)
C1	0.17845 (15)	0.67563 (11)	0.90046 (11)	0.0279 (4)
H1A	0.1434	0.6549	0.8575	0.033*
H1B	0.237	0.6859	0.8825	0.033*
H1C	0.1525	0.7234	0.9188	0.033*
C2	0.09752 (13)	0.60309 (11)	0.98924 (11)	0.0248 (4)
H2A	0.0617	0.5826	0.9459	0.03*
H2B	0.0694	0.6499	1.0091	0.03*
C3	0.10559 (14)	0.54415 (12)	1.05296 (11)	0.0275 (4)
H3A	0.1427	0.564	1.0958	0.033*
H3B	0.048	0.5323	1.0739	0.033*
C4	0.14787 (16)	0.41511 (13)	1.07449 (12)	0.0343 (5)
H4A	0.1829	0.4306	1.1197	0.041*
H4B	0.1744	0.3706	1.0497	0.041*
H4C	0.0897	0.4016	1.0911	0.041*
C5	0.32992 (14)	0.35410 (11)	0.84745 (11)	0.0276 (4)
H5A	0.3641	0.3891	0.8158	0.033*
H5B	0.2714	0.35	0.8253	0.033*
H5C	0.3571	0.3034	0.8482	0.033*
C6	0.40974 (13)	0.39350 (12)	0.95889 (12)	0.0294 (4)
H6A	0.4437	0.4291	0.9268	0.035*
H6B	0.4404	0.3437	0.9615	0.035*
C7	0.40033 (15)	0.42574 (12)	1.03901 (12)	0.0327 (5)
H7A	0.3663	0.3903	1.0712	0.039*
H7B	0.4578	0.4326	1.0639	0.039*
C8	0.35053 (17)	0.53529 (14)	1.10541 (12)	0.0369 (5)
H8A	0.3182	0.5026	1.1409	0.044*
H8B	0.3203	0.5842	1.0985	0.044*
H8C	0.4084	0.5447	1.1271	0.044*
C10	0.08819 (12)	0.25183 (10)	0.79776 (10)	0.0198 (4)
C11	0.16067 (14)	0.19983 (12)	0.82815 (13)	0.0333 (5)
H11A	0.194	0.1806	0.7845	0.04*
H11B	0.1358	0.1565	0.8563	0.04*
H11C	0.1987	0.2291	0.8632	0.04*
C12	0.03857 (14)	0.28629 (11)	0.86552 (11)	0.0256 (4)
H12A	0.0782	0.3163	0.8984	0.031*
H12B	0.0132	0.2449	0.8961	0.031*
H12C	−0.0074	0.3197	0.8453	0.031*
C13	0.02809 (14)	0.20815 (11)	0.74279 (11)	0.0272 (4)
H13A	−0.0155	0.2433	0.7213	0.033*
H13B	−0.0004	0.1669	0.7712	0.033*
H13C	0.0615	0.1862	0.7005	0.033*
C20	−0.05848 (12)	0.44211 (10)	0.66180 (9)	0.0170 (3)
C21	−0.11022 (13)	0.47248 (11)	0.73007 (10)	0.0231 (4)
H21A	−0.1371	0.4294	0.7571	0.028*
H21B	−0.1552	0.5075	0.7108	0.028*
H21C	−0.0716	0.5	0.7661	0.028*
C22	−0.11711 (13)	0.39714 (11)	0.60641 (11)	0.0267 (4)
H22A	−0.0834	0.3784	0.5627	0.032*
H22B	−0.1635	0.4306	0.587	0.032*
H22C	−0.1421	0.3535	0.6339	0.032*
C23	−0.01430 (13)	0.50810 (10)	0.61906 (10)	0.0209 (4)
H23A	0.0229	0.5365	0.6555	0.025*
H23B	−0.0582	0.5427	0.5972	0.025*
H23C	0.0207	0.4873	0.5772	0.025*
C30	0.20179 (12)	0.37536 (10)	0.59506 (10)	0.0196 (4)
C31	0.13027 (13)	0.32443 (11)	0.56144 (10)	0.0249 (4)
H31A	0.1102	0.2892	0.6016	0.03*
H31B	0.1526	0.2949	0.5178	0.03*
H31C	0.0821	0.3565	0.5433	0.03*
C32	0.22947 (14)	0.43374 (12)	0.53413 (11)	0.0265 (4)
H32A	0.1803	0.4664	0.5198	0.032*
H32B	0.2497	0.4067	0.4881	0.032*
H32C	0.2762	0.4656	0.5555	0.032*
C33	0.27847 (15)	0.32709 (14)	0.62233 (12)	0.0333 (5)
H33A	0.3226	0.3605	0.6456	0.04*
H33B	0.3027	0.2999	0.578	0.04*
H33C	0.2594	0.2898	0.6609	0.04*
C40	0.42887 (12)	0.78526 (10)	0.82943 (10)	0.0179 (3)
C41	0.48588 (15)	0.73798 (12)	0.88415 (12)	0.0321 (5)
H41A	0.4495	0.7077	0.9186	0.039*
H41B	0.5227	0.7723	0.9152	0.039*
H41C	0.5221	0.7035	0.8538	0.039*
C42	0.48319 (15)	0.83098 (12)	0.77301 (12)	0.0314 (5)
H42A	0.5183	0.7958	0.7425	0.038*
H42B	0.5211	0.8661	0.8021	0.038*
H42C	0.4452	0.8605	0.7382	0.038*
C43	0.37049 (14)	0.83862 (11)	0.87549 (12)	0.0277 (4)
H43A	0.334	0.8683	0.8395	0.033*
H43B	0.4061	0.8736	0.9069	0.033*
H43C	0.334	0.8081	0.9095	0.033*
C50	0.51798 (13)	0.60245 (10)	0.64907 (11)	0.0225 (4)
C51	0.45863 (14)	0.54111 (11)	0.61392 (11)	0.0264 (4)
H51A	0.4305	0.5128	0.6556	0.032*
H51B	0.4927	0.5055	0.5828	0.032*
H51C	0.4146	0.5656	0.5808	0.032*
C52	0.58426 (15)	0.56598 (13)	0.70438 (13)	0.0348 (5)
H52A	0.6219	0.6059	0.7262	0.042*
H52B	0.619	0.5288	0.676	0.042*
H52C	0.5543	0.5398	0.7464	0.042*
C53	0.56241 (16)	0.64583 (13)	0.58404 (13)	0.0354 (5)
H53A	0.5191	0.6734	0.5528	0.042*
H53B	0.5929	0.6094	0.5511	0.042*
H53C	0.6037	0.6825	0.6065	0.042*
C60	0.25821 (13)	0.70408 (10)	0.63528 (10)	0.0207 (4)
C61	0.32759 (14)	0.74389 (12)	0.58808 (11)	0.0288 (4)
H61A	0.3677	0.7708	0.6232	0.035*
H61B	0.3004	0.7809	0.5525	0.035*
H61C	0.3592	0.7056	0.5582	0.035*
C62	0.19649 (17)	0.66017 (13)	0.58162 (13)	0.0393 (6)
H62A	0.229	0.6227	0.5515	0.047*
H62B	0.1674	0.6962	0.5462	0.047*
H62C	0.1534	0.6335	0.6126	0.047*
C63	0.20836 (14)	0.76242 (13)	0.68312 (12)	0.0299 (4)
H63A	0.1657	0.7356	0.7145	0.036*
H63B	0.1788	0.7986	0.6483	0.036*
H63C	0.2486	0.7904	0.7173	0.036*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S1	0.0174 (2)	0.0183 (2)	0.01536 (18)	−0.00195 (16)	−0.00216 (15)	−0.00468 (15)
Si1	0.0140 (2)	0.0125 (2)	0.0125 (2)	−0.00087 (16)	−0.00135 (16)	−0.00029 (15)
S2	0.0192 (2)	0.0180 (2)	0.01879 (19)	−0.00234 (16)	−0.00245 (16)	0.00608 (15)
Si2	0.0135 (2)	0.0136 (2)	0.0136 (2)	−0.00157 (17)	−0.00176 (16)	0.00125 (16)
Na1	0.0250 (4)	0.0214 (4)	0.0190 (3)	−0.0095 (3)	−0.0027 (3)	0.0011 (3)
Na2	0.0210 (4)	0.0188 (3)	0.0165 (3)	0.0032 (3)	−0.0012 (3)	0.0018 (3)
O1	0.0163 (6)	0.0144 (6)	0.0187 (6)	0.0005 (5)	0.0005 (5)	0.0029 (4)
O2	0.0165 (6)	0.0115 (5)	0.0182 (6)	−0.0001 (4)	−0.0041 (5)	−0.0008 (4)
O3	0.0167 (6)	0.0175 (6)	0.0137 (5)	−0.0015 (5)	0.0003 (4)	−0.0020 (4)
O4	0.0139 (6)	0.0159 (6)	0.0178 (5)	−0.0015 (5)	−0.0036 (4)	−0.0019 (4)
O5	0.0187 (7)	0.0155 (6)	0.0197 (6)	0.0001 (5)	0.0032 (5)	−0.0009 (4)
O6	0.0195 (7)	0.0151 (6)	0.0172 (5)	−0.0024 (5)	−0.0064 (5)	0.0025 (4)
O7	0.0233 (7)	0.0190 (6)	0.0207 (6)	−0.0011 (5)	0.0009 (5)	0.0004 (5)
O8	0.0424 (9)	0.0224 (7)	0.0202 (6)	−0.0020 (6)	0.0068 (6)	0.0027 (5)
O9	0.0433 (10)	0.0240 (7)	0.0264 (7)	0.0052 (6)	−0.0148 (6)	0.0013 (5)
O10	0.0199 (7)	0.0228 (6)	0.0268 (7)	0.0029 (5)	−0.0035 (5)	0.0002 (5)
C1	0.0410 (13)	0.0171 (9)	0.0257 (9)	0.0026 (8)	0.0028 (8)	0.0019 (7)
C2	0.0235 (10)	0.0269 (9)	0.0241 (9)	0.0023 (8)	0.0045 (7)	−0.0053 (7)
C3	0.0312 (11)	0.0309 (10)	0.0207 (9)	−0.0064 (8)	0.0086 (8)	−0.0049 (7)
C4	0.0361 (13)	0.0353 (11)	0.0315 (10)	−0.0095 (9)	−0.0009 (9)	0.0129 (9)
C5	0.0324 (12)	0.0187 (9)	0.0316 (10)	0.0050 (8)	0.0001 (8)	−0.0019 (7)
C6	0.0206 (11)	0.0271 (10)	0.0403 (11)	0.0057 (8)	−0.0063 (8)	0.0049 (8)
C7	0.0348 (13)	0.0256 (10)	0.0371 (11)	0.0033 (9)	−0.0151 (9)	0.0078 (8)
C8	0.0432 (15)	0.0351 (12)	0.0320 (11)	−0.0037 (10)	−0.0111 (10)	−0.0042 (9)
C10	0.0221 (10)	0.0160 (8)	0.0214 (8)	−0.0018 (7)	0.0019 (7)	0.0051 (6)
C11	0.0300 (12)	0.0244 (10)	0.0455 (12)	0.0035 (8)	0.0011 (9)	0.0175 (9)
C12	0.0312 (11)	0.0250 (9)	0.0207 (8)	−0.0039 (8)	0.0053 (8)	0.0038 (7)
C13	0.0335 (12)	0.0184 (9)	0.0297 (10)	−0.0073 (8)	0.0012 (8)	−0.0010 (7)
C20	0.0162 (9)	0.0176 (8)	0.0171 (7)	0.0018 (6)	−0.0041 (6)	−0.0007 (6)
C21	0.0221 (10)	0.0258 (9)	0.0213 (8)	0.0042 (7)	0.0009 (7)	−0.0004 (7)
C22	0.0236 (11)	0.0260 (10)	0.0299 (10)	0.0008 (8)	−0.0117 (8)	−0.0052 (8)
C23	0.0228 (10)	0.0187 (8)	0.0213 (8)	0.0029 (7)	−0.0016 (7)	0.0036 (7)
C30	0.0207 (10)	0.0229 (8)	0.0153 (7)	0.0005 (7)	0.0030 (7)	−0.0029 (6)
C31	0.0298 (11)	0.0261 (9)	0.0190 (8)	−0.0041 (8)	0.0034 (7)	−0.0081 (7)
C32	0.0269 (11)	0.0335 (10)	0.0192 (8)	−0.0051 (8)	0.0054 (7)	0.0003 (7)
C33	0.0289 (12)	0.0426 (12)	0.0284 (10)	0.0141 (10)	0.0005 (8)	−0.0025 (9)
C40	0.0163 (9)	0.0184 (8)	0.0187 (8)	−0.0031 (7)	−0.0042 (6)	−0.0032 (6)
C41	0.0339 (13)	0.0289 (10)	0.0328 (10)	−0.0007 (9)	−0.0189 (9)	−0.0037 (8)
C42	0.0323 (12)	0.0285 (10)	0.0334 (10)	−0.0133 (9)	0.0050 (9)	−0.0027 (8)
C43	0.0296 (11)	0.0253 (9)	0.0284 (9)	−0.0032 (8)	0.0024 (8)	−0.0097 (8)
C50	0.0216 (10)	0.0202 (9)	0.0257 (9)	0.0021 (7)	0.0052 (7)	−0.0025 (7)
C51	0.0297 (11)	0.0209 (9)	0.0287 (9)	−0.0005 (8)	0.0036 (8)	−0.0065 (7)
C52	0.0241 (12)	0.0368 (12)	0.0433 (12)	0.0098 (9)	−0.0025 (9)	−0.0036 (9)
C53	0.0392 (13)	0.0311 (11)	0.0367 (11)	−0.0025 (9)	0.0205 (10)	−0.0023 (9)
C60	0.0245 (10)	0.0189 (8)	0.0183 (8)	0.0008 (7)	−0.0092 (7)	0.0024 (6)
C61	0.0385 (13)	0.0262 (10)	0.0216 (9)	0.0031 (8)	−0.0010 (8)	0.0094 (7)
C62	0.0487 (15)	0.0281 (11)	0.0401 (12)	−0.0058 (10)	−0.0313 (11)	0.0039 (9)
C63	0.0245 (11)	0.0355 (11)	0.0296 (10)	0.0096 (9)	−0.0063 (8)	0.0009 (8)

Geometric parameters (Å, º)

Na1—S1	2.7172 (9)	C13—H13A	0.98
Na1—S2	2.7765 (9)	C13—H13B	0.98
Na1—O6	2.3070 (14)	C13—H13C	0.98
Na1—O3	2.3542 (14)	C20—C22	1.524 (2)
Na2—S1	2.9431 (8)	C20—C21	1.531 (2)
Na2—S2	2.9281 (8)	C20—C23	1.534 (2)
Na2—O10	2.3965 (15)	C21—H21A	0.98
Na2—O7	2.4012 (14)	C21—H21B	0.98
Na2—O8	2.4116 (15)	C21—H21C	0.98
Na2—O9	2.4368 (16)	C22—H22A	0.98
S1—Si1	2.0533 (6)	C22—H22B	0.98
Si1—O1	1.6409 (12)	C22—H22C	0.98
Si1—O2	1.6450 (13)	C23—H23A	0.98
Si1—O3	1.6767 (12)	C23—H23B	0.98
S2—Si2	2.0542 (6)	C23—H23C	0.98
Si2—O4	1.6375 (12)	C30—C33	1.524 (3)
Si2—O5	1.6494 (13)	C30—C31	1.527 (3)
Si2—O6	1.6720 (13)	C30—C32	1.530 (3)
Si2—Na1	3.1252 (8)	C31—H31A	0.98
O1—C10	1.447 (2)	C31—H31B	0.98
O2—C20	1.443 (2)	C31—H31C	0.98
O3—C30	1.457 (2)	C32—H32A	0.98
O4—C40	1.438 (2)	C32—H32B	0.98
O5—C50	1.446 (2)	C32—H32C	0.98
O6—C60	1.456 (2)	C33—H33A	0.98
O7—C2	1.431 (2)	C33—H33B	0.98
O7—C1	1.432 (2)	C33—H33C	0.98
O8—C4	1.420 (2)	C40—C42	1.523 (3)
O8—C3	1.427 (2)	C40—C41	1.524 (3)
O9—C8	1.424 (3)	C40—C43	1.530 (3)
O9—C7	1.429 (2)	C41—H41A	0.98
O10—C6	1.427 (3)	C41—H41B	0.98
O10—C5	1.436 (2)	C41—H41C	0.98
C1—H1A	0.98	C42—H42A	0.98
C1—H1B	0.98	C42—H42B	0.98
C1—H1C	0.98	C42—H42C	0.98
C2—C3	1.508 (3)	C43—H43A	0.98
C2—H2A	0.99	C43—H43B	0.98
C2—H2B	0.99	C43—H43C	0.98
C3—H3A	0.99	C50—C53	1.527 (3)
C3—H3B	0.99	C50—C52	1.528 (3)
C4—H4A	0.98	C50—C51	1.529 (3)
C4—H4B	0.98	C51—H51A	0.98
C4—H4C	0.98	C51—H51B	0.98
C5—H5A	0.98	C51—H51C	0.98
C5—H5B	0.98	C52—H52A	0.98
C5—H5C	0.98	C52—H52B	0.98
C6—C7	1.501 (3)	C52—H52C	0.98
C6—H6A	0.99	C53—H53A	0.98
C6—H6B	0.99	C53—H53B	0.98
C7—H7A	0.99	C53—H53C	0.98
C7—H7B	0.99	C60—C62	1.525 (3)
C8—H8A	0.98	C60—C61	1.527 (3)
C8—H8B	0.98	C60—C63	1.528 (3)
C8—H8C	0.98	C61—H61A	0.98
C10—C13	1.522 (3)	C61—H61B	0.98
C10—C11	1.529 (3)	C61—H61C	0.98
C10—C12	1.533 (3)	C62—H62A	0.98
C11—H11A	0.98	C62—H62B	0.98
C11—H11B	0.98	C62—H62C	0.98
C11—H11C	0.98	C63—H63A	0.98
C12—H12A	0.98	C63—H63B	0.98
C12—H12B	0.98	C63—H63C	0.98
C12—H12C	0.98
Si1—S1—Na1	80.58 (2)	O1—C10—C12	110.46 (14)
Si1—S1—Na2	126.60 (3)	C13—C10—C12	111.17 (16)
Na1—S1—Na2	79.38 (2)	C11—C10—C12	110.29 (16)
O1—Si1—O2	104.33 (6)	C10—C11—H11A	109.5
O1—Si1—O3	102.59 (6)	C10—C11—H11B	109.5
O2—Si1—O3	110.09 (6)	H11A—C11—H11B	109.5
O1—Si1—S1	117.49 (5)	C10—C11—H11C	109.5
O2—Si1—S1	114.95 (5)	H11A—C11—H11C	109.5
O3—Si1—S1	106.64 (5)	H11B—C11—H11C	109.5
O1—Si1—Na1	119.67 (5)	C10—C12—H12A	109.5
O2—Si1—Na1	133.10 (5)	C10—C12—H12B	109.5
O3—Si1—Na1	47.80 (4)	H12A—C12—H12B	109.5
S1—Si1—Na1	59.03 (2)	C10—C12—H12C	109.5
Si2—S2—Na1	79.08 (2)	H12A—C12—H12C	109.5
Si2—S2—Na2	131.77 (3)	H12B—C12—H12C	109.5
Na1—S2—Na2	78.70 (2)	C10—C13—H13A	109.5
O4—Si2—O5	105.19 (6)	C10—C13—H13B	109.5
O4—Si2—O6	102.58 (6)	H13A—C13—H13B	109.5
O5—Si2—O6	109.13 (6)	C10—C13—H13C	109.5
O4—Si2—S2	117.44 (5)	H13A—C13—H13C	109.5
O5—Si2—S2	115.01 (5)	H13B—C13—H13C	109.5
O6—Si2—S2	106.62 (5)	O2—C20—C22	105.25 (14)
O4—Si2—Na1	127.14 (5)	O2—C20—C21	109.27 (13)
O5—Si2—Na1	123.70 (5)	C22—C20—C21	110.20 (16)
O6—Si2—Na1	46.15 (4)	O2—C20—C23	110.67 (14)
S2—Si2—Na1	60.73 (2)	C22—C20—C23	110.56 (15)
O6—Na1—O3	141.21 (5)	C21—C20—C23	110.74 (14)
O6—Na1—S1	133.01 (5)	C20—C21—H21A	109.5
O3—Na1—S1	72.12 (3)	C20—C21—H21B	109.5
O6—Na1—S2	71.57 (4)	H21A—C21—H21B	109.5
O3—Na1—S2	137.82 (4)	C20—C21—H21C	109.5
S1—Na1—S2	105.52 (3)	H21A—C21—H21C	109.5
O6—Na1—Si2	31.51 (3)	H21B—C21—H21C	109.5
O3—Na1—Si2	157.20 (4)	C20—C22—H22A	109.5
S1—Na1—Si2	129.80 (3)	C20—C22—H22B	109.5
S2—Na1—Si2	40.194 (15)	H22A—C22—H22B	109.5
O6—Na1—Si1	157.30 (5)	C20—C22—H22C	109.5
O3—Na1—Si1	31.84 (3)	H22A—C22—H22C	109.5
S1—Na1—Si1	40.388 (15)	H22B—C22—H22C	109.5
S2—Na1—Si1	128.83 (3)	C20—C23—H23A	109.5
Si2—Na1—Si1	167.69 (3)	C20—C23—H23B	109.5
O6—Na1—Na2	108.87 (4)	H23A—C23—H23B	109.5
O3—Na1—Na2	109.83 (4)	C20—C23—H23C	109.5
S1—Na1—Na2	53.063 (19)	H23A—C23—H23C	109.5
S2—Na1—Na2	52.506 (19)	H23B—C23—H23C	109.5
Si2—Na1—Na2	84.78 (2)	O3—C30—C33	108.35 (14)
Si1—Na1—Na2	82.93 (2)	O3—C30—C31	111.95 (14)
O10—Na2—O7	165.28 (5)	C33—C30—C31	110.68 (17)
O10—Na2—O8	100.02 (5)	O3—C30—C32	105.40 (14)
O7—Na2—O8	70.59 (5)	C33—C30—C32	110.66 (17)
O10—Na2—O9	69.68 (5)	C31—C30—C32	109.68 (15)
O7—Na2—O9	97.98 (5)	C30—C31—H31A	109.5
O8—Na2—O9	87.27 (6)	C30—C31—H31B	109.5
O10—Na2—S2	86.80 (4)	H31A—C31—H31B	109.5
O7—Na2—S2	102.18 (4)	C30—C31—H31C	109.5
O8—Na2—S2	172.66 (4)	H31A—C31—H31C	109.5
O9—Na2—S2	92.62 (5)	H31B—C31—H31C	109.5
O10—Na2—S1	103.76 (4)	C30—C32—H32A	109.5
O7—Na2—S1	87.00 (4)	C30—C32—H32B	109.5
O8—Na2—S1	84.78 (4)	H32A—C32—H32B	109.5
O9—Na2—S1	168.65 (5)	C30—C32—H32C	109.5
S2—Na2—S1	96.30 (2)	H32A—C32—H32C	109.5
O10—Na2—Na1	96.34 (4)	H32B—C32—H32C	109.5
O7—Na2—Na1	98.34 (4)	C30—C33—H33A	109.5
O8—Na2—Na1	132.11 (5)	C30—C33—H33B	109.5
O9—Na2—Na1	140.52 (5)	H33A—C33—H33B	109.5
S2—Na2—Na1	48.791 (18)	C30—C33—H33C	109.5
S1—Na2—Na1	47.556 (18)	H33A—C33—H33C	109.5
C10—O1—Si1	132.56 (11)	H33B—C33—H33C	109.5
C20—O2—Si1	131.77 (10)	O4—C40—C42	108.49 (14)
C30—O3—Si1	129.81 (11)	O4—C40—C41	110.39 (14)
C30—O3—Na1	127.80 (10)	C42—C40—C41	110.96 (17)
Si1—O3—Na1	100.35 (6)	O4—C40—C43	105.81 (15)
C40—O4—Si2	133.73 (11)	C42—C40—C43	110.60 (16)
C50—O5—Si2	131.47 (11)	C41—C40—C43	110.45 (16)
C60—O6—Si2	129.59 (11)	C40—C41—H41A	109.5
C60—O6—Na1	127.74 (10)	C40—C41—H41B	109.5
Si2—O6—Na1	102.34 (6)	H41A—C41—H41B	109.5
C2—O7—C1	111.26 (15)	C40—C41—H41C	109.5
C2—O7—Na2	108.36 (10)	H41A—C41—H41C	109.5
C1—O7—Na2	112.46 (10)	H41B—C41—H41C	109.5
C4—O8—C3	112.75 (15)	C40—C42—H42A	109.5
C4—O8—Na2	124.00 (13)	C40—C42—H42B	109.5
C3—O8—Na2	113.28 (11)	H42A—C42—H42B	109.5
C8—O9—C7	111.93 (16)	C40—C42—H42C	109.5
C8—O9—Na2	125.89 (14)	H42A—C42—H42C	109.5
C7—O9—Na2	113.83 (12)	H42B—C42—H42C	109.5
C6—O10—C5	111.67 (15)	C40—C43—H43A	109.5
C6—O10—Na2	108.69 (11)	C40—C43—H43B	109.5
C5—O10—Na2	110.27 (11)	H43A—C43—H43B	109.5
O7—C1—H1A	109.5	C40—C43—H43C	109.5
O7—C1—H1B	109.5	H43A—C43—H43C	109.5
H1A—C1—H1B	109.5	H43B—C43—H43C	109.5
O7—C1—H1C	109.5	O5—C50—C53	106.01 (15)
H1A—C1—H1C	109.5	O5—C50—C52	108.38 (15)
H1B—C1—H1C	109.5	C53—C50—C52	110.96 (18)
O7—C2—C3	108.62 (16)	O5—C50—C51	111.60 (15)
O7—C2—H2A	110	C53—C50—C51	109.36 (16)
C3—C2—H2A	110	C52—C50—C51	110.45 (17)
O7—C2—H2B	110	C50—C51—H51A	109.5
C3—C2—H2B	110	C50—C51—H51B	109.5
H2A—C2—H2B	108.3	H51A—C51—H51B	109.5
O8—C3—C2	107.87 (14)	C50—C51—H51C	109.5
O8—C3—H3A	110.1	H51A—C51—H51C	109.5
C2—C3—H3A	110.1	H51B—C51—H51C	109.5
O8—C3—H3B	110.1	C50—C52—H52A	109.5
C2—C3—H3B	110.1	C50—C52—H52B	109.5
H3A—C3—H3B	108.4	H52A—C52—H52B	109.5
O8—C4—H4A	109.5	C50—C52—H52C	109.5
O8—C4—H4B	109.5	H52A—C52—H52C	109.5
H4A—C4—H4B	109.5	H52B—C52—H52C	109.5
O8—C4—H4C	109.5	C50—C53—H53A	109.5
H4A—C4—H4C	109.5	C50—C53—H53B	109.5
H4B—C4—H4C	109.5	H53A—C53—H53B	109.5
O10—C5—H5A	109.5	C50—C53—H53C	109.5
O10—C5—H5B	109.5	H53A—C53—H53C	109.5
H5A—C5—H5B	109.5	H53B—C53—H53C	109.5
O10—C5—H5C	109.5	O6—C60—C62	105.22 (14)
H5A—C5—H5C	109.5	O6—C60—C61	111.05 (15)
H5B—C5—H5C	109.5	C62—C60—C61	110.18 (17)
O10—C6—C7	108.63 (17)	O6—C60—C63	109.49 (14)
O10—C6—H6A	110	C62—C60—C63	110.12 (18)
C7—C6—H6A	110	C61—C60—C63	110.65 (16)
O10—C6—H6B	110	C60—C61—H61A	109.5
C7—C6—H6B	110	C60—C61—H61B	109.5
H6A—C6—H6B	108.3	H61A—C61—H61B	109.5
O9—C7—C6	107.98 (16)	C60—C61—H61C	109.5
O9—C7—H7A	110.1	H61A—C61—H61C	109.5
C6—C7—H7A	110.1	H61B—C61—H61C	109.5
O9—C7—H7B	110.1	C60—C62—H62A	109.5
C6—C7—H7B	110.1	C60—C62—H62B	109.5
H7A—C7—H7B	108.4	H62A—C62—H62B	109.5
O9—C8—H8A	109.5	C60—C62—H62C	109.5
O9—C8—H8B	109.5	H62A—C62—H62C	109.5
H8A—C8—H8B	109.5	H62B—C62—H62C	109.5
O9—C8—H8C	109.5	C60—C63—H63A	109.5
H8A—C8—H8C	109.5	C60—C63—H63B	109.5
H8B—C8—H8C	109.5	H63A—C63—H63B	109.5
O1—C10—C13	108.55 (14)	C60—C63—H63C	109.5
O1—C10—C11	105.42 (15)	H63A—C63—H63C	109.5
C13—C10—C11	110.78 (16)	H63B—C63—H63C	109.5
Na1—S1—Si1—O1	109.79 (6)	O2—Si1—O1—C10	−49.80 (16)
Na2—S1—Si1—O1	40.64 (6)	O3—Si1—O1—C10	−164.65 (14)
Na1—S1—Si1—O2	−126.85 (5)	S1—Si1—O1—C10	78.80 (15)
Na2—S1—Si1—O2	164.01 (5)	Na1—Si1—O1—C10	147.02 (13)
Na1—S1—Si1—O3	−4.54 (5)	O1—Si1—O2—C20	174.60 (13)
Na2—S1—Si1—O3	−73.69 (6)	O3—Si1—O2—C20	−75.95 (14)
Na2—S1—Si1—Na1	−69.15 (3)	S1—Si1—O2—C20	44.48 (15)
Na1—S2—Si2—O4	119.26 (6)	Na1—Si1—O2—C20	−25.54 (16)
Na2—S2—Si2—O4	55.36 (7)	O1—Si1—O3—C30	45.61 (15)
Na1—S2—Si2—O5	−116.12 (6)	O2—Si1—O3—C30	−64.99 (15)
Na2—S2—Si2—O5	179.98 (5)	S1—Si1—O3—C30	169.69 (13)
Na1—S2—Si2—O6	4.99 (5)	Na1—Si1—O3—C30	164.43 (17)
Na2—S2—Si2—O6	−58.91 (6)	O1—Si1—O3—Na1	−118.83 (6)
Na2—S2—Si2—Na1	−63.90 (3)	O2—Si1—O3—Na1	130.58 (6)
Si1—S1—Na1—O6	148.26 (6)	S1—Si1—O3—Na1	5.26 (6)
Na2—S1—Na1—O6	−81.49 (6)	O6—Na1—O3—C30	53.14 (17)
Si1—S1—Na1—O3	3.26 (4)	S1—Na1—O3—C30	−168.88 (13)
Na2—S1—Na1—O3	133.50 (4)	S2—Na1—O3—C30	−75.28 (14)
Si1—S1—Na1—S2	−132.68 (3)	Si2—Na1—O3—C30	−3.4 (2)
Na2—S1—Na1—S2	−2.43 (3)	Si1—Na1—O3—C30	−164.88 (16)
Si1—S1—Na1—Si2	−169.50 (4)	Na2—Na1—O3—C30	−130.83 (12)
Na2—S1—Na1—Si2	−39.25 (4)	O6—Na1—O3—Si1	−141.98 (8)
Na2—S1—Na1—Si1	130.25 (3)	S1—Na1—O3—Si1	−4.00 (4)
Si1—S1—Na1—Na2	−130.25 (3)	S2—Na1—O3—Si1	89.60 (7)
Si2—S2—Na1—O6	−3.65 (4)	Si2—Na1—O3—Si1	161.52 (8)
Na2—S2—Na1—O6	133.27 (4)	Na2—Na1—O3—Si1	34.05 (6)
Si2—S2—Na1—O3	145.20 (6)	O5—Si2—O4—C40	−51.50 (15)
Na2—S2—Na1—O3	−77.88 (6)	O6—Si2—O4—C40	−165.61 (14)
Si2—S2—Na1—S1	−134.48 (3)	S2—Si2—O4—C40	77.90 (15)
Na2—S2—Na1—S1	2.45 (3)	Na1—Si2—O4—C40	150.56 (12)
Na2—S2—Na1—Si2	136.92 (3)	O4—Si2—O5—C50	172.22 (15)
Si2—S2—Na1—Si1	−172.17 (4)	O6—Si2—O5—C50	−78.33 (16)
Na2—S2—Na1—Si1	−35.25 (4)	S2—Si2—O5—C50	41.41 (16)
Si2—S2—Na1—Na2	−136.92 (3)	Na1—Si2—O5—C50	−28.88 (17)
O4—Si2—Na1—O6	69.59 (8)	O4—Si2—O6—C60	43.70 (15)
O5—Si2—Na1—O6	−84.59 (8)	O5—Si2—O6—C60	−67.50 (15)
S2—Si2—Na1—O6	173.36 (7)	S2—Si2—O6—C60	167.71 (13)
O4—Si2—Na1—O3	157.76 (11)	Na1—Si2—O6—C60	173.75 (17)
O5—Si2—Na1—O3	3.58 (13)	O4—Si2—O6—Na1	−130.05 (6)
O6—Si2—Na1—O3	88.17 (12)	O5—Si2—O6—Na1	118.75 (6)
S2—Si2—Na1—O3	−98.47 (11)	S2—Si2—O6—Na1	−6.04 (6)
O4—Si2—Na1—S1	−40.28 (7)	O3—Na1—O6—C60	44.28 (17)
O5—Si2—Na1—S1	165.54 (6)	S1—Na1—O6—C60	−75.11 (14)
O6—Si2—Na1—S1	−109.87 (7)	S2—Na1—O6—C60	−169.40 (13)
S2—Si2—Na1—S1	63.49 (4)	Si2—Na1—O6—C60	−173.91 (16)
O4—Si2—Na1—S2	−103.77 (6)	Si1—Na1—O6—C60	−13.1 (2)
O5—Si2—Na1—S2	102.05 (6)	Na2—Na1—O6—C60	−131.77 (12)
O6—Si2—Na1—S2	−173.36 (7)	O3—Na1—O6—Si2	−141.81 (8)
O4—Si2—Na1—Si1	−73.93 (16)	S1—Na1—O6—Si2	98.80 (7)
O5—Si2—Na1—Si1	131.90 (15)	S2—Na1—O6—Si2	4.51 (5)
O6—Si2—Na1—Si1	−143.51 (16)	Si1—Na1—O6—Si2	160.83 (8)
S2—Si2—Na1—Si1	29.85 (14)	Na2—Na1—O6—Si2	42.14 (7)
O4—Si2—Na1—Na2	−70.81 (6)	O10—Na2—O7—C2	−77.2 (3)
O5—Si2—Na1—Na2	135.02 (6)	O8—Na2—O7—C2	−25.19 (11)
O6—Si2—Na1—Na2	−140.40 (7)	O9—Na2—O7—C2	−109.42 (11)
S2—Si2—Na1—Na2	32.97 (2)	S2—Na2—O7—C2	156.14 (10)
O1—Si1—Na1—O6	168.57 (11)	S1—Na2—O7—C2	60.33 (11)
O2—Si1—Na1—O6	11.15 (14)	Na1—Na2—O7—C2	106.64 (10)
O3—Si1—Na1—O6	88.82 (12)	O10—Na2—O7—C1	159.4 (2)
S1—Si1—Na1—O6	−85.30 (11)	O8—Na2—O7—C1	−148.59 (13)
O1—Si1—Na1—O3	79.75 (8)	O9—Na2—O7—C1	127.18 (13)
O2—Si1—Na1—O3	−77.67 (9)	S2—Na2—O7—C1	32.73 (13)
S1—Si1—Na1—O3	−174.12 (7)	S1—Na2—O7—C1	−63.07 (12)
O1—Si1—Na1—S1	−106.13 (6)	Na1—Na2—O7—C1	−16.76 (13)
O2—Si1—Na1—S1	96.45 (7)	O10—Na2—O8—C4	17.95 (16)
O3—Si1—Na1—S1	174.12 (7)	O7—Na2—O8—C4	−150.32 (16)
O1—Si1—Na1—S2	−40.71 (7)	O9—Na2—O8—C4	−50.87 (15)
O2—Si1—Na1—S2	161.86 (6)	S1—Na2—O8—C4	121.03 (15)
O3—Si1—Na1—S2	−120.47 (7)	Na1—Na2—O8—C4	126.06 (14)
S1—Si1—Na1—S2	65.41 (4)	O10—Na2—O8—C3	160.89 (13)
O1—Si1—Na1—Si2	−65.06 (16)	O7—Na2—O8—C3	−7.38 (13)
O2—Si1—Na1—Si2	137.51 (14)	O9—Na2—O8—C3	92.07 (13)
O3—Si1—Na1—Si2	−144.81 (16)	S1—Na2—O8—C3	−96.03 (13)
S1—Si1—Na1—Si2	41.06 (14)	Na1—Na2—O8—C3	−91.00 (13)
O1—Si1—Na1—Na2	−68.19 (5)	O10—Na2—O9—C8	−149.46 (17)
O2—Si1—Na1—Na2	134.38 (6)	O7—Na2—O9—C8	22.23 (17)
O3—Si1—Na1—Na2	−147.94 (6)	O8—Na2—O9—C8	−47.73 (16)
S1—Si1—Na1—Na2	37.93 (2)	S2—Na2—O9—C8	124.93 (16)
Si2—S2—Na2—O10	165.36 (4)	S1—Na2—O9—C8	−93.2 (3)
Na1—S2—Na2—O10	101.31 (4)	Na1—Na2—O9—C8	135.86 (15)
Si2—S2—Na2—O7	−26.42 (5)	O10—Na2—O9—C7	−4.00 (14)
Na1—S2—Na2—O7	−90.47 (4)	O7—Na2—O9—C7	167.69 (14)
Si2—S2—Na2—O9	−125.17 (5)	O8—Na2—O9—C7	97.73 (14)
Na1—S2—Na2—O9	170.78 (4)	S2—Na2—O9—C7	−89.62 (14)
Si2—S2—Na2—S1	61.86 (4)	S1—Na2—O9—C7	52.2 (3)
Na1—S2—Na2—S1	−2.19 (2)	Na1—Na2—O9—C7	−78.69 (16)
Si2—S2—Na2—Na1	64.05 (3)	O7—Na2—O10—C6	−62.1 (3)
Si1—S1—Na2—O10	−16.29 (5)	O8—Na2—O10—C6	−111.13 (12)
Na1—S1—Na2—O10	−86.00 (4)	O9—Na2—O10—C6	−27.85 (12)
Si1—S1—Na2—O7	173.88 (4)	S2—Na2—O10—C6	66.13 (12)
Na1—S1—Na2—O7	104.17 (4)	S1—Na2—O10—C6	161.84 (11)
Si1—S1—Na2—O8	−115.35 (4)	Na1—Na2—O10—C6	114.05 (11)
Na1—S1—Na2—O8	174.94 (4)	O7—Na2—O10—C5	175.2 (2)
Si1—S1—Na2—O9	−69.7 (2)	O8—Na2—O10—C5	126.15 (12)
Na1—S1—Na2—O9	−139.4 (2)	O9—Na2—O10—C5	−150.56 (13)
Si1—S1—Na2—S2	71.94 (3)	S2—Na2—O10—C5	−56.58 (12)
Na1—S1—Na2—S2	2.23 (2)	S1—Na2—O10—C5	39.13 (13)
Si1—S1—Na2—Na1	69.71 (3)	Na1—Na2—O10—C5	−8.66 (12)
O6—Na1—Na2—O10	−126.98 (6)	C1—O7—C2—C3	178.58 (15)
O3—Na1—Na2—O10	55.65 (6)	Na2—O7—C2—C3	54.45 (15)
S1—Na1—Na2—O10	102.86 (4)	C4—O8—C3—C2	−175.68 (17)
S2—Na1—Na2—O10	−80.09 (4)	Na2—O8—C3—C2	37.12 (19)
Si2—Na1—Na2—O10	−106.36 (4)	O7—C2—C3—O8	−62.1 (2)
Si1—Na1—Na2—O10	72.97 (4)	C5—O10—C6—C7	178.63 (15)
O6—Na1—Na2—O7	52.04 (6)	Na2—O10—C6—C7	56.76 (17)
O3—Na1—Na2—O7	−125.33 (5)	C8—O9—C7—C6	−176.18 (19)
S1—Na1—Na2—O7	−78.12 (4)	Na2—O9—C7—C6	33.5 (2)
S2—Na1—Na2—O7	98.92 (4)	O10—C6—C7—O9	−60.7 (2)
Si2—Na1—Na2—O7	72.65 (4)	Si1—O1—C10—C13	83.14 (18)
Si1—Na1—Na2—O7	−108.02 (4)	Si1—O1—C10—C11	−158.12 (14)
O6—Na1—Na2—O8	123.36 (7)	Si1—O1—C10—C12	−39.0 (2)
O3—Na1—Na2—O8	−54.01 (7)	Si1—O2—C20—C22	159.01 (13)
S1—Na1—Na2—O8	−6.80 (6)	Si1—O2—C20—C21	−82.66 (18)
S2—Na1—Na2—O8	170.25 (6)	Si1—O2—C20—C23	39.54 (19)
Si2—Na1—Na2—O8	143.98 (6)	Si1—O3—C30—C33	−87.80 (18)
Si1—Na1—Na2—O8	−36.69 (6)	Na1—O3—C30—C33	72.68 (18)
O6—Na1—Na2—O9	−61.47 (8)	Si1—O3—C30—C31	34.5 (2)
O3—Na1—Na2—O9	121.16 (7)	Na1—O3—C30—C31	−165.00 (11)
S1—Na1—Na2—O9	168.37 (7)	Si1—O3—C30—C32	153.71 (13)
S2—Na1—Na2—O9	−14.58 (7)	Na1—O3—C30—C32	−45.81 (19)
Si2—Na1—Na2—O9	−40.85 (7)	Si2—O4—C40—C42	82.76 (19)
Si1—Na1—Na2—O9	138.48 (7)	Si2—O4—C40—C41	−39.0 (2)
O6—Na1—Na2—S2	−46.89 (4)	Si2—O4—C40—C43	−158.54 (13)
O3—Na1—Na2—S2	135.74 (5)	Si2—O5—C50—C53	154.27 (15)
S1—Na1—Na2—S2	−177.05 (3)	Si2—O5—C50—C52	−86.55 (19)
Si2—Na1—Na2—S2	−26.271 (17)	Si2—O5—C50—C51	35.3 (2)
Si1—Na1—Na2—S2	153.06 (3)	Si2—O6—C60—C62	164.79 (15)
O6—Na1—Na2—S1	130.16 (5)	Na1—O6—C60—C62	−22.9 (2)
O3—Na1—Na2—S1	−47.21 (4)	Si2—O6—C60—C61	45.6 (2)
S2—Na1—Na2—S1	177.05 (3)	Na1—O6—C60—C61	−142.14 (13)
Si2—Na1—Na2—S1	150.78 (3)	Si2—O6—C60—C63	−76.89 (19)
Si1—Na1—Na2—S1	−29.892 (17)	Na1—O6—C60—C63	95.38 (16)