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Volume 64 
Part 9 
Pages m1154-m1155  
September 2008  

Received 12 June 2008
Accepted 3 August 2008
Online 13 August 2008

Key indicators
Single-crystal X-ray study
T = 153 K
Mean [sigma](C-C) = 0.005 Å
Disorder in main residue
R = 0.048
wR = 0.102
Data-to-parameter ratio = 15.1
Details
Open access

Tris[tris(ethane-1,2-diamine)cobalt(II)] bis[octacyanidomolybdate(V)] dihydrate

aSchool of Materials Science and Engineering, Jiangsu University of Science and Technology, Zhenjiang 212003, People's Republic of China, and bInstitute of Applied Chemistry, Xinjiang University, Urumqi 830046, Xinjiang, People's Republic of China
Correspondence e-mail: aihuayuan@163.com

In the title compound, [CoII(C2H8N2)3]3[MoV(CN)8]2·2H2O, N-H...N and N-H...O hydrogen-bonding interactions give rise to a three-dimensional network. In the crystal structure, each Mo polyhedron has a square-antiprismatic shape, while the Co complexes show distorted octahedral geometry with an occupancy of 50%. One of the Co atoms resides on a crystallographic inversion centre.

Related literature

For information on octacyanidometalate-based compounds, see: Bok et al. (1975[Bok, L. D. C., Leipoldt, J. G. & Basson, S. S. (1975). Z. Anorg. Allg. Chem. 415, 81-83.]); Lim et al. (2006[Lim, J. H., Kang, J. S., Kim, H. Ch., Koh, E. K. & Hong, Ch. S. (2006). Inorg. Chem. 45, 7821-7827.]) and literature cited therein; Przychodzen et al. (2006[Przychodzen, P., Korzeniak, T., Podgajny, R. & Sieklucka, B. (2006). Coord. Chem. Rev. 250, 2234-2260.]) and literature cited therein; Sieklucka et al. (2002[Sieklucka, B., Podgajny, R., Korzeniak, T., Przychodzen, P. & Kania, R. (2002). C. R. Chim. 5, 639-649.]); Willemin et al. (2003[Willemin, St., Larionova, J., Clérac, R., Donnadieu, B., Henner, B., Le Goff, X. F. & Guérin, Ch. (2003). Eur. J. Inorg. Chem. pp. 1866-1872.]); Withers et al. (2006[Withers, J. R., Li, D.-F., Triplet, J., Ruschman, C., Parkin, S., Wang, G.-B., Yee, G. T. & Holmes, S. M. (2006). Inorg. Chem. 45, 4307-4309.]). For related literature, see: Aschwanden et al. (1993[Aschwanden, S., Schmalle, H. W., Reller, A. & Oswald, H. R. (1993). Mat. Res. Bull. 28, 575-590.]); Müller et al. (2006[Müller, P., Herbst-Irmer, R., Spek, A. L., Schneider, T. R. & Sawaya, M. R. (2006). Crystal Structure Refinement: a Crystallographer's Guide to SHELXL, pp. 73-80. IUCr/Oxford University Press. ]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C2H8N2)3]3[Mo(CN)8]2·2H2O

  • Mr = 1361.96

  • Monoclinic, P 21 /n

  • a = 9.2113 (3) Å

  • b = 30.5439 (8) Å

  • c = 11.4022 (3) Å

  • [beta] = 94.138 (1)°

  • V = 3199.63 (16) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.20 mm-1

  • T = 153 (2) K

  • 0.25 × 0.23 × 0.18 mm

Data collection
  • Rigaku R-AXIS Spider diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.753, Tmax = 0.813

  • 27139 measured reflections

  • 6276 independent reflections

  • 4952 reflections with I > 2[sigma](I)

  • Rint = 0.054

Refinement
  • R[F2 > 2[sigma](F2)] = 0.047

  • wR(F2) = 0.101

  • S = 1.06

  • 6276 reflections

  • 415 parameters

  • 56 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.42 e Å-3

  • [Delta][rho]min = -0.55 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N9-H9C...N7i 0.92 2.24 3.064 (4) 148
N11-H11C...N7i 0.92 2.09 2.985 (4) 165
N12-H12C...N6ii 0.92 2.10 2.955 (4) 154
N13-H13C...N8ii 0.92 2.55 3.138 (4) 122
N9-H9D...N2 0.92 2.32 3.117 (4) 145
N14-H14D...N1 0.92 2.28 3.130 (5) 154
N10-H10C...O3iii 0.92 1.96 2.856 (10) 164
N10-H10D...N5iii 0.92 2.49 3.125 (5) 126
N11-H11D...N6iii 0.92 2.58 3.163 (4) 122
N13-H13D...N5iii 0.92 2.11 3.012 (4) 167
N16-H16C...N4iv 0.92 2.52 3.19 (2) 130
N17-H17A...N2v 0.97 2.49 3.29 (2) 140
N20-H20C...N2iv 0.85 2.44 3.02 (2) 127
O2-H2A...N8vi 0.85 (14) 2.41 (14) 3.207 (9) 156 (12)
O2-H2B...N2vi 0.85 (15) 2.50 (15) 3.245 (9) 147 (12)
Symmetry codes: (i) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (iii) x, y, z-1; (iv) -x+1, -y+1, -z+1; (v) x+1, y, z; (vi) -x, -y+1, -z+1.

Data collection: RAPID-AUTO (Rigaku, 2004[Rigaku (2004). RAPID-AUTO. Version 3.0. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2095 ).


Acknowledgements

The work is supported by the University Natural Science Foundation of Jiangsu Province (No. 07KJB150030).

References

Aschwanden, S., Schmalle, H. W., Reller, A. & Oswald, H. R. (1993). Mat. Res. Bull. 28, 575-590.  [CrossRef] [ChemPort]
Bok, L. D. C., Leipoldt, J. G. & Basson, S. S. (1975). Z. Anorg. Allg. Chem. 415, 81-83.  [CrossRef] [ChemPort]
Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Lim, J. H., Kang, J. S., Kim, H. Ch., Koh, E. K. & Hong, Ch. S. (2006). Inorg. Chem. 45, 7821-7827.  [CrossRef] [PubMed] [ChemPort]
Müller, P., Herbst-Irmer, R., Spek, A. L., Schneider, T. R. & Sawaya, M. R. (2006). Crystal Structure Refinement: a Crystallographer's Guide to SHELXL, pp. 73-80. IUCr/Oxford University Press.
Przychodzen, P., Korzeniak, T., Podgajny, R. & Sieklucka, B. (2006). Coord. Chem. Rev. 250, 2234-2260.
Rigaku (2004). RAPID-AUTO. Version 3.0. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Sieklucka, B., Podgajny, R., Korzeniak, T., Przychodzen, P. & Kania, R. (2002). C. R. Chim. 5, 639-649.  [ChemPort]
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.  [ISI] [CrossRef] [ChemPort] [details]
Willemin, St., Larionova, J., Clérac, R., Donnadieu, B., Henner, B., Le Goff, X. F. & Guérin, Ch. (2003). Eur. J. Inorg. Chem. pp. 1866-1872.  [CrossRef]
Withers, J. R., Li, D.-F., Triplet, J., Ruschman, C., Parkin, S., Wang, G.-B., Yee, G. T. & Holmes, S. M. (2006). Inorg. Chem. 45, 4307-4309.  [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2008). E64, m1154-m1155   [ doi:10.1107/S1600536808024951 ]

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