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Volume 69 
Part 4 
Pages m212-m213  
April 2013  

Received 27 February 2013
Accepted 12 March 2013
Online 16 March 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.051
wR = 0.110
Data-to-parameter ratio = 14.9
Details
Open access

Tris(2,2'-bipyridine)copper(II) pentacyanidonitrosoferrate(II) methanol disolvate monohydrate

aDepartment of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska St, Kyiv 01601, Ukraine, and bInstitute for Scintillation Materials, "Institute for Single Crystals", National Academy of Sciences of Ukraine, Lenina ave. 60, Kharkov 61001, Ukraine
Correspondence e-mail: kozachuk_o@yahoo.com

The title complex [Cu(C10H8N2)3][Fe(CN)5(NO)]·2CH3OH·H2O, consists of discrete [Cu(bpy)3]2+ cations (bpy is 2,2'-bipyridine), [Fe(CN)5NO]2- anions and solvent molecules of crystallization (two methanol molecules and one water molecules per asymmetric unit). The CuII ion adopts a distorted octahedral environment, coordinated by six N atoms from three bpy ligands. The cation charge is balanced by a nitroprusside counter-anion, which has a slightly distorted octahedral coordination geometry. In the crystal, anions and solvent molecules are involved in O-H...N and O-H...O hydrogen bonds, which form chains along [100]. The cations are located between these chains.

Related literature

For background to the direct synthesis of coordination compounds, see: Buvaylo et al. (2005[Buvaylo, E. A., Kokozay, V. N., Vassilyeva, O. Yu., Skelton, B. W., Jezierska, J., Brunel, L. C. & Ozarowski, A. (2005). Chem. Commun. pp. 4976-4978.]); Babich et al. (1996[Babich, O. A., Kokozay, V. N. & Pavlenko, V. A. (1996). Polyhedron, 15, 2727-2731.]); Kovbasyuk et al. (1998[Kovbasyuk, L. A., Vassilyeva, O. Yu., Kokozay, V. N., Linert, W., Reedijk, J., Skelton, B. W. & Oliver, A. G. (1998). J. Chem. Soc. Dalton Trans. pp. 2735-2738.]); Makhankova et al. (2002[Makhankova, V. G., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Sorace, L. & Gatteschi, D. (2002). J. Chem. Soc. Dalton Trans. pp. 4253-4259.]); Nesterov et al. (2006[Nesterov, D. S., Kokozay, V. N., Dyakonenko, V. V., Shishkin, O. V., Jezierska, J., Ozarowski, A., Kirillov, A. M., Kopylovich, M. N. & Pombeiro, A. J. L. (2006). Chem. Commun. pp. 4605-4607.]); Pryma et al. (2003[Pryma, O. V., Petrusenko, S. R., Kokozay, V. N., Shishkin, O. V. & Teplytska, T. S. (2003). Eur. J. Inorg. Chem. pp. 1426-1432.]); Vinogradova et al. (2002[Vinogradova, E. A., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Bjernemose, J. K. & Raithby, P. R. (2002). J. Chem. Soc. Dalton Trans. pp. 4248-4252.]). For the structures of related complexes, see: Nikitina et al. (2008[Nikitina, V. M., Nesterova, O. V., Kokozay, V. N., Goreshnik, E. A. & Jezierska, J. (2008). Polyhedron, 27, 2426-2430.]); Vreshch et al. (2009a[Vreshch, O. V., Nesterova, O. V., Kokozay, V. N., Dyakonenko, V. V., Shishkin, O. V., Cormary, B., Malfant, I. & Jezierska, J. (2009a). Z. Anorg. Allg. Chem. 635, 2316-2323.],b[Vreshch, O. V., Nesterova, O. V., Kokozay, V. N., Skelton, B. W., Garcia, C. J. G. & Jezierska, J. (2009b). Inorg. Chem. Commun. 12, 890-894.]); Shyu et al. (1997[Shyu, H. L., Wei, H. H. & Wang, Y. (1997). Inorg. Chim. Acta, 258, 81-86.]); Shyu & Wei (1999[Shyu, H. L. & Wei, H. H. (1999). J. Coord. Chem. 47, 319-330.]); Dong et al. (2003[Dong, W., Si, S.-F., Liao, D.-Z., Jiang, Z.-H. & Yan, A.-P. (2003). J. Coord. Chem. 56, 531-538.]); Wang et al. (2007[Wang, L., Yang, X.-Y. & Huang, W. (2007). Acta Cryst. E63, m835-m836.]); Zhang et al. (2004[Zhang, B.-F., Xie, C.-Z., Wang, X.-Q., Shen, G.-Q. & Shen, D.-Z. (2004). Acta Cryst. E60, m1293-m1295.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C10H8N2)3][Fe(CN)5(NO)]·2CH4O·H2O

  • Mr = 830.15

  • Monoclinic, P 21 /c

  • a = 11.1308 (8) Å

  • b = 14.7928 (9) Å

  • c = 23.1448 (17) Å

  • [beta] = 90.916 (8)°

  • V = 3810.4 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.00 mm-1

  • T = 293 K

  • 0.30 × 0.20 × 0.10 mm

Data collection
  • Oxford Diffraction Xcalibur Sapphire3 diffractometer

  • Absorption correction: numerical (CrysAlis PRO; Oxford Diffraction, 2010[Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]) Tmin = 0.74, Tmax = 0.91

  • 22593 measured reflections

  • 7368 independent reflections

  • 3799 reflections with I > 2[sigma](I)

  • Rint = 0.053

Refinement
  • R[F2 > 2[sigma](F2)] = 0.051

  • wR(F2) = 0.110

  • S = 1.01

  • 7368 reflections

  • 496 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.59 e Å-3

  • [Delta][rho]min = -0.63 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3S-H3SB...N9 0.85 2.04 2.870 (5) 165
O3S-H3SA...N7i 0.85 2.25 3.058 (5) 158
O1S-H1S...N8ii 0.82 2.08 2.831 (5) 151
O2S-H2S...O3Siii 0.82 1.96 2.746 (7) 161
Symmetry codes: (i) x+1, y, z; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iii) [x-1, -y+{\script{3\over 2}}, z+{\script{1\over 2}}].

Data collection: CrysAlis PRO (Oxford Diffraction, 2010[Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5592 ).


References

Babich, O. A., Kokozay, V. N. & Pavlenko, V. A. (1996). Polyhedron, 15, 2727-2731.  [CrossRef] [ChemPort] [ISI]
Buvaylo, E. A., Kokozay, V. N., Vassilyeva, O. Yu., Skelton, B. W., Jezierska, J., Brunel, L. C. & Ozarowski, A. (2005). Chem. Commun. pp. 4976-4978.  [CSD] [CrossRef]
Dong, W., Si, S.-F., Liao, D.-Z., Jiang, Z.-H. & Yan, A.-P. (2003). J. Coord. Chem. 56, 531-538.  [ISI] [CSD] [CrossRef] [ChemPort]
Kovbasyuk, L. A., Vassilyeva, O. Yu., Kokozay, V. N., Linert, W., Reedijk, J., Skelton, B. W. & Oliver, A. G. (1998). J. Chem. Soc. Dalton Trans. pp. 2735-2738.  [CSD] [CrossRef]
Makhankova, V. G., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Sorace, L. & Gatteschi, D. (2002). J. Chem. Soc. Dalton Trans. pp. 4253-4259.  [CSD] [CrossRef]
Nesterov, D. S., Kokozay, V. N., Dyakonenko, V. V., Shishkin, O. V., Jezierska, J., Ozarowski, A., Kirillov, A. M., Kopylovich, M. N. & Pombeiro, A. J. L. (2006). Chem. Commun. pp. 4605-4607.  [CSD] [CrossRef]
Nikitina, V. M., Nesterova, O. V., Kokozay, V. N., Goreshnik, E. A. & Jezierska, J. (2008). Polyhedron, 27, 2426-2430.  [ISI] [CSD] [CrossRef] [ChemPort]
Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Pryma, O. V., Petrusenko, S. R., Kokozay, V. N., Shishkin, O. V. & Teplytska, T. S. (2003). Eur. J. Inorg. Chem. pp. 1426-1432.  [CSD] [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shyu, H. L. & Wei, H. H. (1999). J. Coord. Chem. 47, 319-330.  [ISI] [CrossRef] [ChemPort]
Shyu, H. L., Wei, H. H. & Wang, Y. (1997). Inorg. Chim. Acta, 258, 81-86.  [CrossRef] [ChemPort] [ISI]
Vinogradova, E. A., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Bjernemose, J. K. & Raithby, P. R. (2002). J. Chem. Soc. Dalton Trans. pp. 4248-4252.  [CSD] [CrossRef]
Vreshch, O. V., Nesterova, O. V., Kokozay, V. N., Dyakonenko, V. V., Shishkin, O. V., Cormary, B., Malfant, I. & Jezierska, J. (2009a). Z. Anorg. Allg. Chem. 635, 2316-2323.  [CSD] [CrossRef] [ChemPort]
Vreshch, O. V., Nesterova, O. V., Kokozay, V. N., Skelton, B. W., Garcia, C. J. G. & Jezierska, J. (2009b). Inorg. Chem. Commun. 12, 890-894.  [ISI] [CSD] [CrossRef] [ChemPort]
Wang, L., Yang, X.-Y. & Huang, W. (2007). Acta Cryst. E63, m835-m836.  [CSD] [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Zhang, B.-F., Xie, C.-Z., Wang, X.-Q., Shen, G.-Q. & Shen, D.-Z. (2004). Acta Cryst. E60, m1293-m1295.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m212-m213   [ doi:10.1107/S1600536813006867 ]

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