A novel heterometallic dinuclear compound: rac-penta­aqua-1[kappa]⁵O-([mu]-2-sulfido­acetato-1:2[kappa]³O:O',S)bis­(2-sulfido­acetato-2[kappa]²O,S)manganese(II)tin(IV)

The title racemic heterometallic dinuclear compound, [MnSn(C₂H₂O₂S)₃(H₂O)₅], (I), contains one main group Sn^IV metal centre and one transition metal Mn^II centre, and, by design, links the Mn^II centre to the building unit of the ([Delta]/[Lambda]) [SnL₃]^2- complex anion (L is the 2-sulfidoacetate dianion). In this cluster, the Sn^IV centre of the ([Delta]/[Lambda]) [SnL₃]^2- unit is coordinated by three O atoms and three S atoms from three L ligands to form an [SnO₃S₃] octa­hedral coordination environment. The Mn^II centre is in an [MnO₆] octa­hedral coordination environment, with five O atoms from five water mol­ecules and the sixth from the [mu]₂-L ligand of the ([Delta]/[Lambda]) [SnL₃]^2- unit. Between adjacent dinuclear mol­ecules, there are many hydrogen-bond inter­actions of O-H...O, O-H...S, C-H...O and C-H...S types. Of these, eight pairs of O-H...O hydrogen bonds fuse all the dinuclear mol­ecules into two-dimensional supra­molecular sheets along the bc plane. Adjacent supra­molecular sheets are further connected through O-H...S hydrogen bonds to give a three-dimensional supra­molecular network.

S1. Comment

Oxygen/sulfur-bridged heterometallic coordination clusters and polymers have attracted considerable interest because of their rich structural variety and potential applications as semiconductors, nonlinear optical or luminescent materials, magnetic materials, and so on (Wang et al., 2006). One synthetic route to these materials is the self-assembly technique of utilizing the spontaneous reaction of an organic ligand and two or more different metallic ions. The other synthetic approach is rational stepwise assembly, in which one metallic ion reacts with one organic ligand to form a complex building unit, which then coordinates to a different metallic ion to complete the assembly. Previously, S-containing ligands and carboxylate ligands have been proved to be versatile candidates which can adopt several coordination modes, for example, bidentate, tridentate etc. (Yang et al., 2011). Additionally, the bridging S atom or carboxylate group provides an efficient pathway that couples magnetic or luminescent metal centres for ferromagnetic interaction or energy transfer (Oldham et al., 1987; Faulkner & Pope, 2003).

Since the establishment of Werner's coordination theory by his pioneering research on the optical resolution of chiral cobalt(III) complexes, chirality has been one of the most important and fascinating subjects in coordination chemistry (Werner, 1911, 1912; Hirotsu et al., 2004). During the past few decades, a great deal of attention has been focused on the design and creation of well organized clusters or polymers, the overall structures of which can be controlled by the chirality of their building units (Leininger et al., 2000; Swiegers & Malefetse, 2000). Based on these practices, we initially synthesized the optically active complex anion [SnL₃]^2- (L is µ₂-mercaptoacetate) and then utilized it as a building unit to react with heterometallic ions through the S atoms or carboxylate groups for assembling optically active heterometallic structures. In this paper, we focus on the assembly of the active [SnL₃]^2- complex ligand with Mn^II ions as the heterometallic centres. Fortuitously, the title novel heterometallic dinuclear compound, [MnSnL₃(H₂O)₅], (I), has been successfully synthesized and characterized, though it is found to be racemic.

The structure of (I) has been characterized as a heterometallic dinuclear cluster (Fig. 1) consisting of three L ligands, five coordinated water molecules, one Sn^IV cation and one Mn^II cation. In the cluster, the Sn^IV centre is coordinated by three O atoms and three S atoms from three L ligands to form an [SnO₃S₃] octahedral coordination environment. Here, three L ligands chelate to the Sn^IV ion to give two enantiomers, (Δ/Λ) [SnL₃]^2-. The Mn^II centre is composed of an [MnO₆] octahedral coordination environment, with five O atoms from five water molecules and a sixth from the µ₂-L ligand of the (Δ/Λ) [SnL₃]^2- unit. In the [SnO₃S₃] octahedron, the Sn1—O1 bond lengths are in the range 2.1286 (12)–2.1622 (12) Å and the Sn1—S1 bond lengths are in the range 2.4434 (5)–2.4484 (5) Å, with the other bond lengths similar to those of other reported structures (Song, 2009; Chai et al., 2009; Ng et al., 1996). In the [MnO₆] octahedron, the Mn—O bonds range from 2.1440 (14) to 2.2221 (15) Å (Table 1), and all bond lengths are similar to those of other reported structures (Nakasuka et al., 1985; Cheng et al., 2000; Klištincová et al., 2009; Bai et al., 2008; Liu et al., 2006). The bond angles of the two octahedra are near to those of an ideal octahedron, with a maximum deviation of 17.15 (4)° (Table 1).

In the crystal structure of (I), there are many hydrogen-bond interactions of O—H···O, O—H···S, C—H···O and C—H···S types (Table 2) between adjacent dinuclear molecules. The hydrogen-bond data are within the ranges of standard examples (Desiraju & Steiner, 1999) and have been examined using PLATON (Spek, 2009; van der Sluis & Spek, 1990). Along the bc plane, all adjacent dinuclear molecules are fused into two-dimensional supramolecular sheets (Fig. 2) by eight pairs of O—H···O hydrogen bonds [H···O = 1.894 (17)–2.52 (3) Å, O···O = 2.7055 (19)–3.098 (2) Å and O—H···O = 124 (3)–175 (3)°]. Neighbouring supramolecular sheets are further connected through O9—H9A···S1 and O9—H9B···S3 hydrogen bonds to give a three-dimensional supramolecular network (Fig. 3).

In conclusion, the successful rational stepwise assembly of the optically active [SnL₃]^2- complex anion with Mn^II ions leads to a novel heterometallic dinuclear compound. Through the many hydrogen-bond interactions present, these dinuclear molecules fuse together to form a three-dimensional supramolecular network structure. The heterometallic dinuclear molecule is optically active, but the two enantiomers crystallize as a racemic structure. Further research into novel structures and functions and exploration of the stepwise assembly of the active [SnL₃]^2- complex anion with other metallic ions, such as magnetic Co^II and Ni^II or luminescent Ln^III (where Ln is rare earth metal), are ongoing.

Related literature

For related literature, see: Bai et al. (2008); Chai et al. (2009); Cheng et al. (2000); Desiraju & Steiner (1999); Faulkner & Pope (2003); Hirotsu et al. (2004); Klištincová et al. (2009); Leininger et al. (2000); Liu et al. (2006); Nakasuka et al. (1985); Ng et al. (1996); Oldham et al. (1987); Sheldrick (2008); Sluis & Spek (1990); Song (2009); Spek (2009); Swiegers & Malefetse (2000); Wang et al. (2006); Werner (1911, 1912); Yang et al. (2011).

S2. Experimental

All reagents were commercially available and were used without further purification. An aqueous solution of SnL₃ (0.1 mol l^-1) was prepared from mercaptoacetic acid (L), NaOH and SnCl₄.5H₂O at a stoichiometric ratio in water at room temperature. To a solution of MnCl₂.4H₂O (120 mg, 0.6 mmol) in water (5 ml) was added an aqueous solution (6 ml) of SnL₃ (0.6 mmol) at room temperature. After several minutes, the solution was filtered and left to evaporate. After standing for several days at room temperature, colourless crystals of (I) were obtained in a yield of 86% (276 mg). Analysis, calculated for C₆H₁₆MnO₁₁S₃Sn (%): C 13.50, H 3.02, O 32.96, S 18.01; found: C 13.24, H 3.38, O 33.26, S 18.31. Spectroscopic analysis: IR (KBr pellet, ν, cm^-1): 3565 (sh), 2974 (w), 2903 (w), 2814 (w), 1604 (s), 1330 (m), 1222 (m), 993 (ms), 899 (m), 781 (m), 721 (m).

S3. Refinement

H atoms bonded to C atoms were added at calculated positions and refined using a riding model, with C—H = 0.97 Å and U_iso(H) = 1.2U_eq(C). [Please check added text] H atoms of coordinated water molecules were selected from peaks evident in the difference Fourier map, and their positions were restrained to an O—H distance of 0.82(s.u.?) Å using the DFIX command (SHELXL97; Sheldrick, 2008). Due to the presence of the heavy atom Sn in the structure, H atoms pertaining to the solvent water molecules could not be found accurately and were restrained in order to obtain a reasonable chemical geometry.

Computing details

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures

	Fig. 1. The structure and labelling of the title compound, with displacement ellipsoids drawn at the 30% probability level.
	Fig. 2. The supramolecular organic–inorganic hybrid sheet constructed by hydrogen bonds (dashed lines), viewed along the c direction.
	Fig. 3. The three-dimensional supramolecular network of (I),viewed along the c direction. Hydrogen bonds are indicated by dashed lines.

rac-pentaaqua-1κ⁵O-(µ-2-sulfidoacetato- 1:2κ³O:O',S)bis(2-sulfidoacetato- 2κ²O,S)manganese(II)tin(IV)

Crystal data

[MnSn(C2H2O2S)3(H2O)5]	F(000) = 1052
Mr = 534.05	Dx = 2.165 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71075 Å
Hall symbol: -P 2ybc	Cell parameters from 4285 reflections
a = 9.8901 (14) Å	θ = 3.0–27.5°
b = 10.4992 (14) Å	µ = 2.73 mm^−1
c = 15.883 (2) Å	T = 293 K
β = 96.631 (2)°	Platelet, colourless
V = 1638.2 (4) Å^3	0.30 × 0.25 × 0.15 mm
Z = 4

Data collection

Rigaku R-AXIS RAPID diffractometer	3738 independent reflections
Radiation source: fine-focus sealed tube	3504 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.015
Detector resolution: 14.6306 pixels mm^-1	θmax = 27.5°, θmin = 2.3°
CCD profile fitting scans	h = −12→12
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −13→8
Tmin = 0.670, Tmax = 1.000	l = −20→20
12118 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.018	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.044	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ^2(Fo^2) + (0.023P)^2 + 0.6191P] where P = (Fo^2 + 2Fc^2)/3
3738 reflections	(Δ/σ)max = 0.002
239 parameters	Δρmax = 0.52 e Å^−3
11 restraints	Δρmin = −0.55 e Å^−3

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.

Refinement. 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 > σ(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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Sn1	0.318797 (11)	0.751087 (10)	0.083368 (7)	0.01907 (4)
Mn1	−0.10411 (3)	0.77439 (3)	0.301722 (16)	0.02136 (7)
S1	0.44697 (5)	0.64000 (5)	0.20225 (3)	0.03204 (11)
S2	0.39108 (4)	0.97173 (4)	0.11072 (3)	0.02711 (10)
S3	0.45331 (5)	0.69111 (5)	−0.03013 (3)	0.02903 (10)
O1	0.16684 (12)	0.76078 (12)	0.16776 (8)	0.0241 (3)
O2	0.10702 (14)	0.73347 (13)	0.29603 (8)	0.0295 (3)
O3	0.16236 (12)	0.84667 (11)	0.00016 (7)	0.0246 (3)
O4	0.10102 (14)	1.01364 (13)	−0.08041 (8)	0.0318 (3)
O5	0.20285 (13)	0.58560 (12)	0.04056 (8)	0.0279 (3)
O6	0.16123 (16)	0.43111 (14)	−0.05268 (9)	0.0398 (3)
O7	−0.11588 (15)	0.56326 (13)	0.30736 (9)	0.0311 (3)
H7B	−0.188 (2)	0.532 (3)	0.3169 (17)	0.059 (9)*
H7A	−0.054 (3)	0.538 (3)	0.3428 (18)	0.085 (12)*
O8	−0.07281 (16)	0.76865 (15)	0.43799 (9)	0.0334 (3)
H8A	−0.006 (2)	0.732 (2)	0.4625 (16)	0.043 (7)*
H8B	−0.091 (3)	0.822 (2)	0.4730 (14)	0.050 (7)*
O9	−0.31888 (15)	0.81334 (19)	0.31480 (11)	0.0450 (4)
H9B	−0.357 (3)	0.836 (4)	0.3567 (19)	0.131 (16)*
H9A	−0.372 (3)	0.779 (3)	0.2808 (19)	0.078 (12)*
O10	−0.05762 (17)	0.97639 (14)	0.31248 (10)	0.0370 (3)
H10B	0.006 (2)	1.000 (3)	0.2875 (19)	0.075 (10)*
H10A	−0.055 (3)	1.004 (3)	0.3581 (14)	0.088 (12)*
O11	−0.16885 (16)	0.77213 (14)	0.16689 (9)	0.0327 (3)
H11A	−0.146 (3)	0.831 (2)	0.1384 (15)	0.049 (8)*
H11B	−0.172 (3)	0.708 (2)	0.1371 (15)	0.048 (7)*
C1	0.31509 (18)	0.64221 (19)	0.27223 (11)	0.0272 (4)
H1A	0.2883	0.5549	0.2816	0.033*
H1B	0.3539	0.6762	0.3265	0.033*
C2	0.18824 (17)	0.71770 (17)	0.24276 (11)	0.0213 (3)
C3	0.30522 (19)	1.03381 (18)	0.01192 (12)	0.0301 (4)
H3A	0.2785	1.1211	0.0213	0.036*
H3B	0.3699	1.0355	−0.0296	0.036*
C4	0.18047 (17)	0.96085 (16)	−0.02544 (10)	0.0218 (3)
C5	0.3338 (2)	0.57475 (19)	−0.07884 (12)	0.0319 (4)
H5A	0.2882	0.6116	−0.1305	0.038*
H5B	0.3852	0.5019	−0.0951	0.038*
C6	0.22642 (18)	0.52715 (17)	−0.02674 (11)	0.0242 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Sn1	0.01906 (7)	0.01916 (7)	0.01911 (7)	0.00021 (4)	0.00269 (5)	−0.00011 (4)
Mn1	0.02317 (14)	0.01935 (13)	0.02176 (13)	0.00011 (10)	0.00346 (10)	−0.00083 (10)
S1	0.0256 (2)	0.0442 (3)	0.0266 (2)	0.0136 (2)	0.00407 (17)	0.0061 (2)
S2	0.0250 (2)	0.0251 (2)	0.0304 (2)	−0.00544 (18)	−0.00043 (17)	−0.00610 (18)
S3	0.0269 (2)	0.0350 (3)	0.0267 (2)	−0.00384 (19)	0.00958 (17)	−0.00233 (19)
O1	0.0220 (6)	0.0279 (7)	0.0232 (6)	0.0042 (5)	0.0056 (5)	0.0034 (5)
O2	0.0249 (7)	0.0397 (8)	0.0252 (6)	0.0006 (5)	0.0086 (5)	−0.0019 (5)
O3	0.0249 (6)	0.0196 (6)	0.0277 (6)	−0.0041 (5)	−0.0045 (5)	0.0035 (5)
O4	0.0386 (7)	0.0245 (7)	0.0300 (6)	−0.0015 (6)	−0.0061 (5)	0.0051 (5)
O5	0.0313 (6)	0.0244 (7)	0.0293 (6)	−0.0071 (5)	0.0089 (5)	−0.0043 (5)
O6	0.0564 (9)	0.0292 (8)	0.0347 (7)	−0.0160 (7)	0.0093 (6)	−0.0089 (6)
O7	0.0347 (8)	0.0212 (7)	0.0382 (8)	−0.0032 (6)	0.0079 (6)	0.0023 (6)
O8	0.0353 (8)	0.0406 (9)	0.0233 (7)	0.0162 (6)	−0.0012 (6)	−0.0030 (6)
O9	0.0259 (7)	0.0630 (12)	0.0466 (9)	0.0027 (8)	0.0063 (7)	−0.0087 (9)
O10	0.0496 (9)	0.0208 (7)	0.0393 (8)	−0.0036 (7)	0.0003 (7)	0.0006 (6)
O11	0.0484 (9)	0.0265 (7)	0.0224 (7)	−0.0050 (7)	0.0007 (6)	−0.0004 (6)
C1	0.0263 (8)	0.0322 (10)	0.0228 (8)	0.0027 (8)	0.0024 (7)	0.0024 (7)
C2	0.0221 (8)	0.0184 (8)	0.0235 (8)	−0.0038 (7)	0.0037 (6)	−0.0052 (6)
C3	0.0298 (9)	0.0239 (9)	0.0359 (10)	−0.0068 (8)	0.0014 (8)	0.0033 (8)
C4	0.0262 (8)	0.0190 (8)	0.0207 (7)	0.0007 (7)	0.0055 (6)	−0.0009 (6)
C5	0.0421 (11)	0.0287 (10)	0.0258 (9)	−0.0048 (8)	0.0084 (8)	−0.0036 (8)
C6	0.0305 (9)	0.0186 (8)	0.0224 (8)	0.0002 (7)	−0.0017 (7)	0.0023 (6)

Geometric parameters (Å, º)

Sn1—O1	2.1286 (12)	O6—C6	1.241 (2)
Sn1—O5	2.1485 (13)	O7—H7B	0.814 (17)
Sn1—O3	2.1622 (12)	O7—H7A	0.821 (18)
Sn1—S3	2.4434 (5)	O8—H8A	0.821 (16)
Sn1—S1	2.4453 (5)	O8—H8B	0.824 (17)
Sn1—S2	2.4484 (5)	O9—H9B	0.836 (16)
Mn1—O2	2.1440 (14)	O9—H9A	0.795 (18)
Mn1—O8	2.1515 (15)	O10—H10B	0.819 (18)
Mn1—O11	2.1632 (14)	O10—H10A	0.780 (18)
Mn1—O10	2.1726 (15)	O11—H11A	0.812 (17)
Mn1—O9	2.1963 (15)	O11—H11B	0.819 (17)
Mn1—O7	2.2221 (15)	C1—C2	1.512 (2)
S1—C1	1.8088 (18)	C1—H1A	0.9700
S2—C3	1.8169 (19)	C1—H1B	0.9700
S3—C5	1.810 (2)	C3—C4	1.514 (2)
O1—C2	1.269 (2)	C3—H3A	0.9700
O2—C2	1.243 (2)	C3—H3B	0.9700
O3—C4	1.285 (2)	C5—C6	1.505 (3)
O4—C4	1.236 (2)	C5—H5A	0.9700
O5—C6	1.277 (2)	C5—H5B	0.9700
O1—Sn1—O5	81.26 (5)	Mn1—O8—H8A	120.3 (19)
O1—Sn1—O3	81.68 (5)	Mn1—O8—H8B	130.0 (18)
O5—Sn1—O3	82.17 (5)	H8A—O8—H8B	103 (2)
O1—Sn1—S3	163.97 (4)	Mn1—O9—H9B	131 (3)
O5—Sn1—S3	82.78 (3)	Mn1—O9—H9A	115 (3)
O3—Sn1—S3	94.63 (4)	H9B—O9—H9A	111 (3)
O1—Sn1—S1	82.95 (4)	Mn1—O10—H10B	115 (2)
O5—Sn1—S1	93.94 (4)	Mn1—O10—H10A	115 (3)
O3—Sn1—S1	164.55 (4)	H10B—O10—H10A	113 (3)
S3—Sn1—S1	99.725 (19)	Mn1—O11—H11A	118.4 (18)
O1—Sn1—S2	93.21 (4)	Mn1—O11—H11B	124.7 (19)
O5—Sn1—S2	162.85 (4)	H11A—O11—H11B	107 (3)
O3—Sn1—S2	80.97 (3)	C2—C1—S1	116.62 (12)
S3—Sn1—S2	101.658 (17)	C2—C1—H1A	108.1
S1—Sn1—S2	101.512 (19)	S1—C1—H1A	108.1
O2—Mn1—O8	90.52 (5)	C2—C1—H1B	108.1
O2—Mn1—O11	97.72 (6)	S1—C1—H1B	108.1
O8—Mn1—O11	170.85 (6)	H1A—C1—H1B	107.3
O2—Mn1—O10	90.04 (6)	O2—C2—O1	122.72 (16)
O8—Mn1—O10	86.77 (6)	O2—C2—C1	115.95 (16)
O11—Mn1—O10	97.14 (6)	O1—C2—C1	121.33 (15)
O2—Mn1—O9	176.91 (6)	C4—C3—S2	115.81 (13)
O8—Mn1—O9	86.47 (6)	C4—C3—H3A	108.3
O11—Mn1—O9	85.22 (6)	S2—C3—H3A	108.3
O10—Mn1—O9	90.51 (7)	C4—C3—H3B	108.3
O2—Mn1—O7	81.81 (5)	S2—C3—H3B	108.3
O8—Mn1—O7	86.20 (6)	H3A—C3—H3B	107.4
O11—Mn1—O7	91.03 (6)	O4—C4—O3	122.76 (16)
O10—Mn1—O7	169.17 (6)	O4—C4—C3	118.21 (16)
O9—Mn1—O7	97.25 (7)	O3—C4—C3	119.02 (15)
C1—S1—Sn1	97.01 (6)	C6—C5—S3	117.17 (13)
C3—S2—Sn1	95.07 (6)	C6—C5—H5A	108.0
C5—S3—Sn1	96.02 (6)	S3—C5—H5A	108.0
C2—O1—Sn1	121.39 (11)	C6—C5—H5B	108.0
C2—O2—Mn1	139.86 (13)	S3—C5—H5B	108.0
C4—O3—Sn1	120.68 (11)	H5A—C5—H5B	107.2
C6—O5—Sn1	120.74 (11)	O6—C6—O5	122.01 (17)
Mn1—O7—H7B	117 (2)	O6—C6—C5	117.37 (16)
Mn1—O7—H7A	108 (2)	O5—C6—C5	120.61 (16)
H7B—O7—H7A	110 (3)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O4^i	0.82 (2)	1.93 (2)	2.747 (2)	175 (3)
O8—H8A···O3^i	0.82 (2)	1.89 (2)	2.7055 (19)	169 (2)
O8—H8B···O6^ii	0.82 (2)	1.90 (2)	2.713 (2)	170 (3)
O10—H10A···O5^ii	0.78 (2)	2.45 (3)	3.098 (2)	141 (3)
O10—H10A···O6^i	0.78 (2)	2.52 (3)	3.024 (2)	124 (3)
O10—H10B···O7^ii	0.82 (2)	2.07 (2)	2.855 (2)	162 (3)
O11—H11A···O4^iii	0.81 (2)	1.95 (2)	2.758 (2)	173 (3)
O11—H11B···O6^iv	0.82 (2)	2.00 (2)	2.807 (2)	170 (3)
O9—H9A···S1^v	0.80 (2)	2.53 (2)	3.3038 (18)	167 (3)
O9—H9B···S3^vi	0.84 (2)	2.76 (2)	3.5251 (17)	153 (3)
O7—H7B···S2^vii	0.81 (2)	2.51 (2)	3.2928 (15)	162 (3)
C1—H1B···S3^i	0.97	2.75	3.7140 (19)	171
C3—H3B···S2^viii	0.97	2.82	3.764 (2)	164
C5—H5A···O2^ix	0.97	2.60	3.465 (2)	149

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