Strontium disodium hexa­thio­diphosphate(IV) octa­hydrate

Ehrhardt, C.; Gjikaj, M.

doi:10.1107/S1600536810025316

inorganic compounds

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Volume 66| Part 8| August 2010| Page i55

https://doi.org/10.1107/S1600536810025316

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Strontium disodium hexathiodiphosphate(IV) octahydrate

Claus Ehrhardt ^a and Mimoza Gjikaj ^a ^*

^aInstitute of Inorganic and Analytical Chemistry, Clausthal University of Technology, Paul-Ernst-Strasse 4, 38678 Clausthal-Zellerfeld, Germany
^*Correspondence e-mail: mimoza.gjikaj@tu-clausthal.de

(Received 11 June 2010; accepted 28 June 2010; online 3 July 2010)

The crystal structure of SrNa₂(P₂S₆)·8H₂O is isotypic with that of its calcium analogue. The asymmetric unit consists of one Sr²⁺ cation (2 symmetry), two Na⁺ cations (2 and $[\overline{1}]$ symmetry, respectively), one-half of a centrosymmetric (P₂S₆)⁴⁻ anion with a staggered confirmation and four water molecules. The crystal structure is built up from layers of cations and anions extending parallel to (101). Each SrO₈ polyhedron is connected via edge-sharing to two NaO₄S₂ octahedra and to one NaO₂S₄ octahedron. The NaO₄S₂ octaedra are, in turn, connected with two (P₂S₆)⁴⁻ anions through common corners. Adjacent layers are held together by several O—H⋯S hydrogen-bonding interactions.

Related literature

For background to thiodiphosphates(IV), including their crystal structures, see: Jörgens et al. (2003 ); Klingen et al. (1973 ). For the synthesis of Na₄(P₂S₆)·6H₂O, see: Fincher et al. (1998 ). For the isotypic structure of CaNa₂(P₂S₆)·8H₂O, see: Ehrhardt &Gjikaj (2010 ).

Experimental

Crystal data

SrNa₂(P₂S₆)·8H₂O
M_r = 532.03
Monoclinic, C 2/c
a = 14.9010 (19) Å
b = 9.3282 (7) Å
c = 14.1338 (19) Å
β = 114.918 (10)°
V = 1781.7 (4) Å³
Z = 4
Mo Kα radiation
μ = 3.98 mm⁻¹
T = 223 K
0.28 × 0.26 × 0.25 mm

Data collection

Stoe IPDS 2 diffractometer
14472 measured reflections
2544 independent reflections
2302 reflections with I > 2σ(I)
R_int = 0.064

Refinement

R[F² > 2σ(F²)] = 0.036
wR(F²) = 0.087
S = 1.12
2544 reflections
121 parameters
All H-atom parameters refined
Δρ_max = 1.14 e Å⁻³
Δρ_min = −0.89 e Å⁻³

Table 1
Selected bond lengths (Å)

Sr—O1	2.573 (2)
Sr—O2	2.596 (2)
Sr—O3	2.631 (2)
Sr—O4	2.6459 (19)
Na1—O3	2.345 (2)
Na1—O4	2.372 (2)
Na1—S2ⁱ	2.9741 (7)
Na2—O2	2.570 (3)
Na2—S1ⁱ	2.9525 (15)
Na2—S3	2.9924 (9)
P—S1	2.0162 (9)
P—S2	2.0243 (9)
P—S3	2.0248 (9)
P—Pⁱ	2.2405 (12)
Symmetry code: (i) $[-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯S3ⁱⁱ	0.76 (7)	2.66 (6)	3.324 (3)	146 (6)
O1—H1B⋯S2ⁱⁱⁱ	0.86 (6)	2.53 (6)	3.306 (3)	151 (5)
O2—H2A⋯S2ⁱⁱ	0.82 (6)	2.51 (6)	3.334 (2)	176 (6)
O2—H2B⋯S2ⁱ	0.79 (5)	2.43 (5)	3.214 (2)	176 (5)
O3—H3A⋯S1^iv	0.76 (7)	2.44 (7)	3.169 (2)	163 (5)
O3—H3B⋯S1ⁱⁱ	0.88 (7)	2.40 (7)	3.222 (2)	157 (6)
O4—H4A⋯S3^v	0.95 (5)	2.29 (5)	3.245 (2)	175 (4)
O4—H4B⋯S3	0.91 (6)	2.30 (6)	3.199 (2)	171 (5)
Symmetry codes: (i) $[-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, -z]$ ; (ii) $[x+{\script{1\over 2}}, y-{\script{1\over 2}}, z]$ ; (iii) $[-x+1, y-1, -z+{\script{1\over 2}}]$ ; (iv) $[-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z]$ ; (v) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: X-AREA (Stoe & Cie, 2008 ); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2004 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810025316/wm2365sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810025316/wm2365Isup2.hkl

checkCIF report

Comment top

Alkaline earth hypothiodiphosphates were first reported by Klingen et al. (1973). The structure of the title compound, SrNa₂(P₂S₆).8H₂O, is isotypic with that of its calcium analogue, CaNa₂(P₂S₆).8H₂O (Ehrhardt & Gjikaj, 2010). The asymmetric unit of SrNa₂(P₂S₆).8H₂O contains one Sr²⁺ cation, two Na⁺ cations, one half of a (P₂S₆)^4- anion and four water molecules (Fig. 1)

Na(1) is octahedrally coordinated by four H₂O molecules and two sulfur atoms of two (P₂S₆)^4- anions (Fig. 2). Na(2) is also octahedrally coordinated by two H₂O molecules and four sulfur atoms of two (P₂S₆)^4- anions (Fig. 3). The strontium cation is eightfold coordinated by water O atoms with Sr—O distances from 2.573 (2) to 2.6459 (19) Å. The SrO₈ coordination polyhedron can be described as a bicapped trigonal prism.

The crystal structure is built up from layers of cations and anions extending parallel to (101). Within the layer each SrO₈ polyhedron is connected by edge-sharing to two Na(1)O₄S₂ octahedra and to one Na(2)O₂S₄ octaedron. Furthermore, the Na(1)O₄S₂ octaedra are connected through common corners with two (P₂S₆)^4- anions.

The discrete ethane-like (P₂S₆)^4- anion has a staggered conformation and is located on a centre of inversion associated with the midpoint of the P—P bond. The corresponding P—P distance is 2.2405 (12) Å; the P—S distances range from 2.0162 (9) to 2.0248 (9) Å. These values agree well with those reported previously for other hypothiodiphosphate structures (Jörgens et al., 2003).

Neighbouring layers are held together by various O—H···S hydrogen bonding interactions. The donor—acceptor distances between O atoms of water molecules and S atoms of (P₂S₆)^4- units range from 3.169 to 3.334 Å (Table 2).

With the exception of the M-O bond lengths (M = Ca, Sr), all other bond lengths and angles as well as the O—H···S hydrogen bonding scheme are very similar in the two isotypic MNa₂(P₂S₆).8H₂O structures.

Related literature top

For background to thiodiphosphates(IV), including their crystal structures, see: Jörgens et al. (2003); Klingen et al. (1973). For the synthesis of Na₄(P₂S₆).6H₂O, see: Fincher et al. (1998). For the isotypic structure of CaNa₂(P₂S₆).8H₂O, see: Ehrhardt & Gjikaj (2010).

Experimental top

Na₄(P₂S₆).6H₂O has been prepared according to Fincher et al. (1998). The title compound was obtained by adding a molar equivalent of strontium hydroxide to a solution of Na₄(P₂S₆).6H₂O in 70 ml distilled water at 348 K. Slow cooling to room temperature yielded colorless crystals of the title compound within some days.

Structure description top

Computing details top

Data collection: X-AREA (Stoe & Cie, 2008); cell refinement: X-AREA (Stoe & Cie, 2008); data reduction: X-AREA (Stoe & Cie, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2004); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The crystal structure of CaNa₂(P₂S₆).8H₂O in a projection along [010].
	Fig. 2. Coordination of Na1 with the atom labelling scheme. The displacement ellipsoids are drawn at the 50% probability level. Symmetry codes as in Table 1. H atoms are represented as spheres of arbirtary radius.
	Fig. 3. View of the edge-shared CaO₈ and Na(2)O₂S₄ polyhedra with the atom labelling scheme. The displacement ellipsoids are drawn at the 50% probability level. Symmetry codes as in Table 1. H atoms are represented as spheres of arbirtary radius.

Strontium disodium hexathiodiphosphate(IV) octahydrate top

Crystal data top

SrNa₂(P₂S₆)·8H₂O	F(000) = 1064
M_r = 532.03	D_x = 1.983 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 14971 reflections
a = 14.9010 (19) Å	θ = 1.0–29.8°
b = 9.3282 (7) Å	µ = 3.98 mm⁻¹
c = 14.1338 (19) Å	T = 223 K
β = 114.918 (10)°	Block, colorless
V = 1781.7 (4) Å³	0.28 × 0.26 × 0.25 mm
Z = 4

Data collection top

Stoe IPDS 2 diffractometer	2302 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	R_int = 0.064
Graphite monochromator	θ_max = 29.8°, θ_min = 2.7°
ω–scans	h = −20→20
14472 measured reflections	k = −13→11
2544 independent reflections	l = −19→17

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.087	All H-atom parameters refined
S = 1.12	w = 1/[σ²(F_o²) + (0.0378P)² + 5.0597P] where P = (F_o² + 2F_c²)/3
2544 reflections	(Δ/σ)_max < 0.001
121 parameters	Δρ_max = 1.14 e Å⁻³
0 restraints	Δρ_min = −0.89 e Å⁻³

Crystal data top

SrNa₂(P₂S₆)·8H₂O	V = 1781.7 (4) Å³
M_r = 532.03	Z = 4
Monoclinic, C2/c	Mo Kα radiation
a = 14.9010 (19) Å	µ = 3.98 mm⁻¹
b = 9.3282 (7) Å	T = 223 K
c = 14.1338 (19) Å	0.28 × 0.26 × 0.25 mm
β = 114.918 (10)°

Data collection top

Stoe IPDS 2 diffractometer	2302 reflections with I > 2σ(I)
14472 measured reflections	R_int = 0.064
2544 independent reflections

Refinement top

R[F² > 2σ(F²)] = 0.036	0 restraints
wR(F²) = 0.087	All H-atom parameters refined
S = 1.12	Δρ_max = 1.14 e Å⁻³
2544 reflections	Δρ_min = −0.89 e Å⁻³
121 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Sr	0.5000	0.24637 (4)	0.2500	0.01746 (10)
Na1	0.2500	0.2500	0.0000	0.0260 (3)
Na2	0.5000	0.6875 (3)	0.2500	0.0440 (5)
P	0.20406 (5)	0.76351 (7)	0.04496 (5)	0.01570 (13)
S1	0.07286 (5)	0.67170 (8)	−0.04401 (6)	0.02445 (15)
S2	0.18992 (5)	0.97603 (7)	0.06433 (5)	0.01959 (14)
S3	0.28146 (5)	0.66742 (8)	0.18434 (5)	0.02452 (15)
O1	0.59794 (17)	0.0300 (3)	0.2305 (2)	0.0318 (5)
O2	0.50855 (17)	0.4687 (2)	0.14363 (17)	0.0259 (4)
O3	0.41245 (15)	0.1665 (2)	0.05340 (16)	0.0238 (4)
O4	0.31300 (14)	0.3293 (2)	0.17560 (15)	0.0220 (4)
H1A	0.627 (5)	0.042 (7)	0.197 (5)	0.08 (2)*
H1B	0.638 (4)	0.000 (6)	0.292 (5)	0.065 (17)*
H2A	0.555 (5)	0.473 (6)	0.127 (5)	0.070 (17)*
H2B	0.461 (4)	0.486 (5)	0.093 (4)	0.046 (13)*
H3A	0.404 (4)	0.086 (7)	0.048 (5)	0.067 (17)*
H3B	0.450 (5)	0.195 (8)	0.023 (5)	0.09 (2)*
H4A	0.282 (3)	0.283 (5)	0.214 (4)	0.037 (11)*
H4B	0.302 (4)	0.425 (7)	0.170 (4)	0.059 (15)*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr	0.01698 (15)	0.01714 (16)	0.01694 (15)	0.000	0.00585 (11)	0.000
Na1	0.0230 (7)	0.0303 (9)	0.0221 (7)	0.0003 (6)	0.0068 (6)	−0.0014 (6)
Na2	0.0384 (10)	0.0598 (15)	0.0284 (9)	0.000	0.0086 (8)	0.000
P	0.0192 (3)	0.0137 (3)	0.0171 (3)	−0.0002 (2)	0.0104 (2)	−0.0003 (2)
S1	0.0209 (3)	0.0200 (3)	0.0336 (3)	−0.0042 (2)	0.0127 (3)	−0.0043 (3)
S2	0.0232 (3)	0.0145 (3)	0.0219 (3)	0.0012 (2)	0.0103 (2)	−0.0008 (2)
S3	0.0343 (3)	0.0226 (3)	0.0197 (3)	0.0094 (3)	0.0144 (3)	0.0058 (2)
O1	0.0232 (10)	0.0306 (12)	0.0366 (12)	0.0049 (8)	0.0076 (9)	−0.0042 (10)
O2	0.0237 (9)	0.0299 (11)	0.0224 (9)	0.0016 (8)	0.0081 (8)	0.0062 (8)
O3	0.0277 (10)	0.0218 (10)	0.0236 (9)	−0.0005 (8)	0.0126 (8)	−0.0037 (8)
O4	0.0242 (9)	0.0205 (9)	0.0229 (9)	0.0013 (7)	0.0115 (7)	0.0007 (8)

Geometric parameters (Å, º) top

Sr—O1	2.573 (2)	Na1—S2^iv	2.9741 (7)
Sr—O1ⁱ	2.573 (2)	Na2—O2	2.570 (3)
Sr—O2ⁱ	2.596 (2)	Na2—O2ⁱ	2.570 (3)
Sr—O2	2.596 (2)	Na2—S1^iv	2.9525 (15)
Sr—O3	2.631 (2)	Na2—S1^v	2.9525 (15)
Sr—O3ⁱ	2.631 (2)	Na2—S3	2.9924 (9)
Sr—O4	2.6459 (19)	Na2—S3ⁱ	2.9925 (9)
Sr—O4ⁱ	2.6459 (19)	P—S1	2.0162 (9)
Na1—O3ⁱⁱ	2.344 (2)	P—S2	2.0243 (9)
Na1—O3	2.345 (2)	P—S3	2.0248 (9)
Na1—O4	2.372 (2)	P—P^iv	2.2405 (12)
Na1—O4ⁱⁱ	2.372 (2)	S1—Na2^iv	2.9525 (15)
Na1—S2ⁱⁱⁱ	2.9741 (7)	S2—Na1^vi	2.9741 (7)

O1—Sr—O1ⁱ	76.65 (12)	O3—Na1—S2ⁱⁱⁱ	91.09 (6)
O1—Sr—O2ⁱ	149.01 (7)	O4—Na1—S2ⁱⁱⁱ	89.18 (5)
O1ⁱ—Sr—O2ⁱ	113.34 (9)	O4ⁱⁱ—Na1—S2ⁱⁱⁱ	90.82 (5)
O1—Sr—O2	113.34 (9)	O3ⁱⁱ—Na1—S2^iv	91.09 (6)
O1ⁱ—Sr—O2	149.01 (7)	O3—Na1—S2^iv	88.91 (6)
O2ⁱ—Sr—O2	73.96 (10)	O4—Na1—S2^iv	90.82 (5)
O1—Sr—O3	73.49 (8)	O4ⁱⁱ—Na1—S2^iv	89.18 (5)
O1ⁱ—Sr—O3	80.77 (8)	S2ⁱⁱⁱ—Na1—S2^iv	180.0
O2ⁱ—Sr—O3	135.60 (7)	O2—Na2—O2ⁱ	74.82 (12)
O2—Sr—O3	74.82 (7)	O2—Na2—S1^iv	82.23 (5)
O1—Sr—O3ⁱ	80.78 (8)	O2ⁱ—Na2—S1^iv	147.35 (8)
O1ⁱ—Sr—O3ⁱ	73.50 (8)	O2—Na2—S1^v	147.35 (8)
O2ⁱ—Sr—O3ⁱ	74.82 (7)	O2ⁱ—Na2—S1^v	82.23 (5)
O2—Sr—O3ⁱ	135.59 (7)	S1^iv—Na2—S1^v	127.17 (10)
O3—Sr—O3ⁱ	147.09 (10)	O2—Na2—S3	94.85 (7)
O1—Sr—O4	137.47 (7)	O2ⁱ—Na2—S3	79.40 (6)
O1ⁱ—Sr—O4	73.86 (7)	S1^iv—Na2—S3	79.75 (3)
O2ⁱ—Sr—O4	72.30 (7)	S1^v—Na2—S3	103.51 (3)
O2—Sr—O4	80.60 (7)	O2—Na2—S3ⁱ	79.40 (6)
O3—Sr—O4	72.10 (6)	O2ⁱ—Na2—S3ⁱ	94.85 (7)
O3ⁱ—Sr—O4	118.24 (6)	S1^iv—Na2—S3ⁱ	103.51 (3)
O1—Sr—O4ⁱ	73.86 (7)	S1^v—Na2—S3ⁱ	79.75 (3)
O1ⁱ—Sr—O4ⁱ	137.47 (7)	S3—Na2—S3ⁱ	172.83 (11)
O2ⁱ—Sr—O4ⁱ	80.60 (7)	S1—P—S2	111.81 (4)
O2—Sr—O4ⁱ	72.30 (7)	S1—P—S3	115.08 (4)
O3—Sr—O4ⁱ	118.23 (6)	S2—P—S3	110.55 (4)
O3ⁱ—Sr—O4ⁱ	72.10 (6)	S1—P—P^iv	105.20 (5)
O4—Sr—O4ⁱ	145.98 (9)	S2—P—P^iv	108.07 (5)
O3ⁱⁱ—Na1—O3	180.0	S3—P—P^iv	105.57 (5)
O3ⁱⁱ—Na1—O4	97.64 (7)	P—S1—Na2^iv	106.45 (5)
O3—Na1—O4	82.36 (7)	P—S2—Na1^vi	137.58 (3)
O3ⁱⁱ—Na1—O4ⁱⁱ	82.36 (7)	P—S3—Na2	111.92 (4)
O3—Na1—O4ⁱⁱ	97.64 (7)	Na2—O2—Sr	105.61 (9)
O4—Na1—O4ⁱⁱ	180.0	Na1—O3—Sr	103.36 (8)
O3ⁱⁱ—Na1—S2ⁱⁱⁱ	88.91 (6)	Na1—O4—Sr	102.17 (7)

Symmetry codes: (i) −x+1, y, −z+1/2; (ii) −x+1/2, −y+1/2, −z; (iii) x, y−1, z; (iv) −x+1/2, −y+3/2, −z; (v) x+1/2, −y+3/2, z+1/2; (vi) x, y+1, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···S3^vii	0.76 (7)	2.66 (6)	3.324 (3)	146 (6)
O1—H1B···S2^viii	0.86 (6)	2.53 (6)	3.306 (3)	151 (5)
O2—H2A···S2^vii	0.82 (6)	2.51 (6)	3.334 (2)	176 (6)
O2—H2B···S2^iv	0.79 (5)	2.43 (5)	3.214 (2)	176 (5)
O3—H3A···S1ⁱⁱ	0.76 (7)	2.44 (7)	3.169 (2)	163 (5)
O3—H3B···S1^vii	0.88 (7)	2.40 (7)	3.222 (2)	157 (6)
O4—H4A···S3^ix	0.95 (5)	2.29 (5)	3.245 (2)	175 (4)
O4—H4B···S3	0.91 (6)	2.30 (6)	3.199 (2)	171 (5)

Symmetry codes: (ii) −x+1/2, −y+1/2, −z; (iv) −x+1/2, −y+3/2, −z; (vii) x+1/2, y−1/2, z; (viii) −x+1, y−1, −z+1/2; (ix) −x+1/2, y−1/2, −z+1/2.

Experimental details

Crystal data
Chemical formula	SrNa₂(P₂S₆)·8H₂O
M_r	532.03
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	223
a, b, c (Å)	14.9010 (19), 9.3282 (7), 14.1338 (19)
β (°)	114.918 (10)
V (Å³)	1781.7 (4)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	3.98
Crystal size (mm)	0.28 × 0.26 × 0.25

Data collection
Diffractometer	Stoe IPDS 2
Absorption correction	–
No. of measured, independent and observed [I > 2σ(I)] reflections	14472, 2544, 2302
R_int	0.064
(sin θ/λ)_max (Å⁻¹)	0.700

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.036, 0.087, 1.12
No. of reflections	2544
No. of parameters	121
H-atom treatment	All H-atom parameters refined
Δρ_max, Δρ_min (e Å⁻³)	1.14, −0.89

Computer programs: X-AREA (Stoe & Cie, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 2004).

Selected bond lengths (Å) top

Sr—O1	2.573 (2)	Na2—O2	2.570 (3)
Sr—O2	2.596 (2)	Na2—S1ⁱ	2.9525 (15)
Sr—O3	2.631 (2)	Na2—S3	2.9924 (9)
Sr—O4	2.6459 (19)	P—S1	2.0162 (9)
Na1—O3	2.345 (2)	P—S2	2.0243 (9)
Na1—O4	2.372 (2)	P—S3	2.0248 (9)
Na1—S2ⁱ	2.9741 (7)	P—Pⁱ	2.2405 (12)

Symmetry code: (i) −x+1/2, −y+3/2, −z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···S3ⁱⁱ	0.76 (7)	2.66 (6)	3.324 (3)	146 (6)
O1—H1B···S2ⁱⁱⁱ	0.86 (6)	2.53 (6)	3.306 (3)	151 (5)
O2—H2A···S2ⁱⁱ	0.82 (6)	2.51 (6)	3.334 (2)	176 (6)
O2—H2B···S2ⁱ	0.79 (5)	2.43 (5)	3.214 (2)	176 (5)
O3—H3A···S1^iv	0.76 (7)	2.44 (7)	3.169 (2)	163 (5)
O3—H3B···S1ⁱⁱ	0.88 (7)	2.40 (7)	3.222 (2)	157 (6)
O4—H4A···S3^v	0.95 (5)	2.29 (5)	3.245 (2)	175 (4)
O4—H4B···S3	0.91 (6)	2.30 (6)	3.199 (2)	171 (5)

Symmetry codes: (i) −x+1/2, −y+3/2, −z; (ii) x+1/2, y−1/2, z; (iii) −x+1, y−1, −z+1/2; (iv) −x+1/2, −y+1/2, −z; (v) −x+1/2, y−1/2, −z+1/2.

References

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