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Volume 64 
Part 5 
Pages m605-m606  
May 2008  

Received 6 March 2008
Accepted 21 March 2008
Online 2 April 2008


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Key indicators
Single-crystal X-ray study
T = 93 K
Mean [sigma](C-C) = 0.003 Å
R = 0.020
wR = 0.049
Data-to-parameter ratio = 21.8
Details

catena-Poly[[diaquazinc(II)]-[mu]-L-cysteinato(2-)-[kappa]4S:S,N,O-[di-[mu]-sulfido-bis[oxidomolybdate(V)](Mo-Mo)]-[mu]-L-cysteinato(2-)-[kappa]4S,N,O:S]

Takashi Shibahara,a* Shinobu Ogasaharaa and Genta Sakanea

aDepartment of Chemistry, Okayama University of Science, Ridai-cho, Okayama 700-0005, Japan
Correspondence e-mail: shiba@chem.ous.ac.jp

The title compound, [Mo2Zn(C3H5NO2S)2O2S2(H2O)2], forms a one-dimensional chain. The cysteine S atom of the dinuclear molybdenum complex anion coordinates to the zinc ion, which has a tetrahedral environment by the additional coordination of two water molecules. The one-dimensional chains are connected to each other by hydrogen bonds. The Zn-S(cysteine) distances [2.3599 (6) and 2.3072 (6) Å] are close to the value in ZnS (2.35 Å). The distances and angles within the complex are very close to those reported for the sodium and potassium di-[mu]-sulfide species.

Related literature

For related literature, see: Brown & Jeffreys (1973[Brown, D. H. & Jeffreys, J. A. D. (1973). J. Chem. Soc. Dalton Trans. pp. 732-735.]); Hong et al. (1983[Hong, M.-C., Shi, J., Huang, Z. & Liu, H. (1983). Jiegou Huaxue, 2, 153-156.]); Kay & Mitchell (1970[Kay, A. & Mitchell, P. C. H. (1970). J. Chem. Soc. A, pp. 2421-2428.]); Knox & Prout (1969[Knox, J. R. & Prout, C. K. (1969). Acta Cryst. B25, 1857-1866.]); Shibahara et al. (1987[Shibahara, T., Kuroya, H., Matsumoto, K. & Ooi, S. (1987). Bull. Chem. Soc. Jpn, 60, 2277-2279.]); Lee et al. (1989[Lee, M. S., Gippert, G. P., Soman, K. V., Case, D. A. & Wright, P. E. (1989). Science, 245, 635-637.]); Liu & Williams (1981[Liu, H. & Williams, G. J. B. (1981). Acta Cryst. B37, 2065-2067.]); Xing et al. (1998[Xing, Y.-H., Xu, J.-Q., Li, D.-M., Sun, H.-R., Bu, W.-M., Ye, L., Yang, G.-D. & Fan, Y.-G. (1998). Synth. React. Inorg. Met. Org. Chem. 28, 1493-1503.]).

[Scheme 1]

Experimental

Crystal data

  • [Mo2Zn(C3H5NO2S)2O2S2(H2O)2]

  • Mr = 627.69

  • Monoclinic, P 21

  • a = 8.6881 (11) Å

  • b = 10.3529 (8) Å

  • c = 9.8686 (11) Å

  • [beta] = 108.2022 (14)°

  • V = 843.23 (16) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 3.40 mm-1

  • T = 93.1 K

  • 0.35 × 0.30 × 0.10 mm
Data collection

  • Rigaku Mercury diffractometer

  • Absorption correction: multi-scan (Jacobson, 1998[Jacobson, R. (1998). Private communication to Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.382, Tmax = 0.727

  • 9357 measured reflections

  • 4556 independent reflections

  • 4549 reflections with F2 > 2[sigma](F2)

  • Rint = 0.019
Refinement

  • R[F2 > 2[sigma](F2)] = 0.019

  • wR(F2) = 0.049

  • S = 1.02

  • 4556 reflections

  • 209 parameters

  • 15 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.47 e Å-3

  • [Delta][rho]min = -0.94 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), with 2010 Friedel pairs

  • Flack parameter: 0.002 (7)

Table 1
Selected geometric parameters (Å, °)

Mo1-S1 2.3201 (6)
Mo1-S2 2.3378 (6)
Mo1-S3 2.5572 (6)
Mo1-Mo2 2.8354 (3)
Mo2-S2 2.3276 (6)
Mo2-S1 2.3368 (6)
Mo2-S4 2.5428 (6)
Zn1-O8 2.0052 (17)
Zn1-O7 2.0275 (19)
Zn1-S4i 2.3072 (6)
Zn1-S3 2.3599 (6)
O8-Zn1-O7 96.70 (7)
O8-Zn1-S4i 129.42 (5)
O7-Zn1-S4i 107.94 (6)
O8-Zn1-S3 93.73 (5)
O7-Zn1-S3 104.55 (6)
S4i-Zn1-S3 120.25 (2)
Symmetry code: (i) x-1, y, z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O7-H11...O3ii 0.84 2.03 2.832 (2) 161
O8-H13...O5ii 0.84 1.77 2.604 (2) 171
O8-H14...O4i 0.84 2.00 2.789 (2) 158
Symmetry codes: (i) x-1, y, z; (ii) [-x, y+{\script{1\over 2}}, -z+2].

Data collection: CrystalClear (Rigaku, 1999[Rigaku (1999). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku, 2007[Rigaku (2007). CrystalStructure. Rigaku Americas Corporation, The Woodlands, Texas, USA.]); program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: CrystalStructure; software used to prepare material for publication: CrystalStructure.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WK2080 ).

Acknowledgements

This work was partly supported by a Special Grant for Cooperative Research administered by the Japan Private School Promotion Foundation.

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [CrossRef] [ChemPort] [details]
Brown, D. H. & Jeffreys, J. A. D. (1973). J. Chem. Soc. Dalton Trans. pp. 732-735.  [CrossRef]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [ChemPort] [details]
Hong, M.-C., Shi, J., Huang, Z. & Liu, H. (1983). Jiegou Huaxue, 2, 153-156.  [ChemPort]
Jacobson, R. (1998). Private communication to Rigaku Corporation, Tokyo, Japan.
Kay, A. & Mitchell, P. C. H. (1970). J. Chem. Soc. A, pp. 2421-2428.
Knox, J. R. & Prout, C. K. (1969). Acta Cryst. B25, 1857-1866.  [CrossRef] [ChemPort] [details]
Lee, M. S., Gippert, G. P., Soman, K. V., Case, D. A. & Wright, P. E. (1989). Science, 245, 635-637.  [CrossRef] [ChemPort] [PubMed]
Liu, H. & Williams, G. J. B. (1981). Acta Cryst. B37, 2065-2067.  [CrossRef] [details]
Rigaku (1999). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Rigaku (2007). CrystalStructure. Rigaku Americas Corporation, The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shibahara, T., Kuroya, H., Matsumoto, K. & Ooi, S. (1987). Bull. Chem. Soc. Jpn, 60, 2277-2279.  [CrossRef] [ChemPort]
Xing, Y.-H., Xu, J.-Q., Li, D.-M., Sun, H.-R., Bu, W.-M., Ye, L., Yang, G.-D. & Fan, Y.-G. (1998). Synth. React. Inorg. Met. Org. Chem. 28, 1493-1503.  [ChemPort]

Acta Cryst (2008). E64, m605-m606   [ doi:10.1107/S1600536808007757 ]

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