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Volume 66 
Part 8 
Pages m1018-m1019  
August 2010  

Received 19 July 2010
Accepted 21 July 2010
Online 24 July 2010

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Key indicators
Single-crystal X-ray study
T = 170 K
Mean [sigma](C-C) = 0.005 Å
Disorder in main residue
R = 0.024
wR = 0.058
Data-to-parameter ratio = 18.2
Details
Open access

catena-Poly[[[mu]3-hydroxido-tetra-[mu]2-pyridazine-1:2[kappa]4N:N';1:3[kappa]2N:N';2:3[kappa]2N:N'-tetrakis(selenocyanato)-1[kappa]N,2[kappa]N,3[kappa]2N-trizinc(II)]-[mu]-cyanido-1:2'[kappa]2C:N]

Thorben Reinert,a Jan Boeckmann,a Inke Jessa and Christian Näthera*

aInstitut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Str. 2, 24098 Kiel, Germany
Correspondence e-mail: cnaether@ac.uni-kiel.de

In the crystal structure of the title compound, [Zn3(NCSe)4(OH)(CN)(C4H4N2)4]n one of the two crystallographically independent zinc(II) cations is coordinated by two terminal N-bonded selenocyanato anions and two N atoms of two symmetry-related pyridazine ligands in a trigonal-bipyramidal geometry, while the other zinc(II) cation is coordinated by one terminal N-bonded selenocyanato anion, one [mu]-1,2-cyanido anion and three N atoms of three crystallographically independent pyridazine ligands in a slightly distorted octahedral coordination geometry. The zinc(II) atoms are further connected via a [mu]3-hydroxido anion into trinuclear building blocks. The formula unit consists of three zinc cations, four selenocyanato anions, one [mu]3-hydroxido anion, four pyridazine molecules as well as one cyanido anion. The asymmetric unit contains half of a formula unit. One of the zinc atoms, two selenocyanato anions, two pyridazine ligands and the [mu]3-hydroxido anion are located on a crystallographic mirror plane, whereas the cyanido anion is located on a twofold rotation axis. Therefore, this anion is disordered due to symmetry. The cyanido anions connect the metal centres into polymeric zigzag chains propagating along the a axis.

Related literature

For related [mu]3-hydroxo Zn coordination, see: Alexiou et al. (2005[Alexiou, M., Katsoulakou, E., Dendrinou-Samara, C., Raptopoulou, C. P., Psycharis, V., Manessi-Zoupa, E., Perlepes, S. P. & Kessissoglou, D. P. (2005). Eur. J. Inorg. Chem. pp. 1964-1968.]); Jana et al. (2006[Jana, S., Fröhlich, R. & Mitzel, N. W. (2006). Chem. Eur. J. 12, 592-599.]). For general background to inorganic-organic coordination polymers based on zinc(II) halides or pseudohalides and N-donor ligands, see: Näther et al. (2007[Näther, C., Bhosekar, G. & Jess, I. (2007). Eur. J. Inorg. Chem. pp. 5353-5359.]); Bhosekar et al. (2006[Bhosekar, G., Jess, I. & Näther, C. (2006). Acta Cryst. E62, m1859-m1860.]).

[Scheme 1]

Experimental

Crystal data

  • [Zn3(CNSe)4(OH)(CN)(C4H4N2)4]

  • Mr = 979.43

  • Orthorhombic, A m a 2

  • a = 15.6156 (12) Å

  • b = 22.6489 (16) Å

  • c = 8.6626 (5) Å

  • V = 3063.8 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 7.12 mm-1

  • T = 170 K

  • 0.16 × 0.12 × 0.06 mm
Data collection

  • STOE IPDS-1 diffractometer

  • Absorption correction: numerical (X-SHAPE and X-RED32; Stoe, 2008[Stoe (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.196, Tmax = 0.503

  • 22283 measured reflections

  • 3752 independent reflections

  • 3588 reflections with I > 2[sigma](I)

  • Rint = 0.049
Refinement

  • R[F2 > 2[sigma](F2)] = 0.024

  • wR(F2) = 0.058

  • S = 1.03

  • 3752 reflections

  • 206 parameters

  • 1 restraint

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

  • [Delta][rho]max = 0.42 e Å-3

  • [Delta][rho]min = -0.65 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1747 Friedel pairs

  • Flack parameter: -0.012 (10)

Table 1
Selected bond lengths (Å)

Zn1-N1 1.985 (5)
Zn1-O1 1.997 (3)
Zn1-N2 2.015 (4)
Zn1-N11 2.214 (3)
Zn2-N3 2.092 (3)
Zn2-O1 2.1254 (19)
Zn2-N41 2.141 (3)
Zn2-N31 2.174 (3)
Zn2-N21 2.227 (3)
Zn2-N12 2.247 (3)

Data collection: X-AREA (Stoe, 2008[Stoe (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.]); cell refinement: X-AREA; data reduction: X-AREA; 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 2010[Brandenburg, K. (2010). DIAMOND. Crystal Impact GbR, Bonn, Germany]); software used to prepare material for publication: XCIF in SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5302 ).

Acknowledgements

We gratefully acknowledge financial support by the State of Schleswig-Holstein and the Deutsche Forschungsgemeinschaft (Project 720/3-1). We thank Professor Dr Wolfgang Bensch for access to his experimental facility.

References

Alexiou, M., Katsoulakou, E., Dendrinou-Samara, C., Raptopoulou, C. P., Psycharis, V., Manessi-Zoupa, E., Perlepes, S. P. & Kessissoglou, D. P. (2005). Eur. J. Inorg. Chem. pp. 1964-1968.  [CSD] [CrossRef]
Bhosekar, G., Jess, I. & Näther, C. (2006). Acta Cryst. E62, m1859-m1860.  [CSD] [CrossRef] [details]
Brandenburg, K. (2010). DIAMOND. Crystal Impact GbR, Bonn, Germany
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Jana, S., Fröhlich, R. & Mitzel, N. W. (2006). Chem. Eur. J. 12, 592-599.  [CSD] [CrossRef]
Näther, C., Bhosekar, G. & Jess, I. (2007). Eur. J. Inorg. Chem. pp. 5353-5359.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoe (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.

Acta Cryst (2010). E66, m1018-m1019   [ doi:10.1107/S1600536810029107 ]

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