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Volume 68 
Part 5 
Page m696  
May 2012  

Received 23 April 2012
Accepted 24 April 2012
Online 28 April 2012

Key indicators
Single-crystal X-ray study
T = 170 K
Mean [sigma](C-C) = 0.006 Å
R = 0.048
wR = 0.097
Data-to-parameter ratio = 13.3
Details
Open access

Bis(dicyanamido-[kappa]N)tetrakis(pyridazine-[kappa]N)nickel(II)

aInstitut für Anorganische Chemie, Christian-Albrechts-Universität Kiel, Max-Eyth-Strasse 2, 24118 Kiel, Germany, and bDepartement of Chemistry, Texas A&M University, College Station, Texas 77843, USA
Correspondence e-mail: swoehlert@ac.uni-kiel.de

Reaction of nickel(II) chloride with sodium dicyanamide and pyridazine leads to single crystals of the title compound, [Ni{N(CN)2}2(C4H4N2)4], in which the NiII cation is octahedrally coordinated by two dicyanamide anions and four pyridazine ligands into a discrete complex that is located on a center of inversion.

Related literature

For the synthesis, structures and properties of dicyanamide coordination compounds, see: Wriedt & Näther (2011[Wriedt, M. & Näther, C. (2011). Dalton Trans. 40, 886-898.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C2N3)2(C4H4N2)4]

  • Mr = 511.18

  • Triclinic, [P \overline 1]

  • a = 8.1796 (12) Å

  • b = 8.4125 (12) Å

  • c = 8.9643 (11) Å

  • [alpha] = 81.364 (16)°

  • [beta] = 66.027 (15)°

  • [gamma] = 84.879 (17)°

  • V = 556.97 (13) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.91 mm-1

  • T = 170 K

  • 0.10 × 0.08 × 0.06 mm

Data collection
  • Stoe IPDS-1 diffractometer

  • Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2008[Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.]) Tmin = 0.783, Tmax = 0.927

  • 4159 measured reflections

  • 2142 independent reflections

  • 1582 reflections with I > 2[sigma](I)

  • Rint = 0.068

Refinement
  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.097

  • S = 1.01

  • 2142 reflections

  • 161 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.51 e Å-3

  • [Delta][rho]min = -0.52 e Å-3

Data collection: X-AREA (Stoe & Cie, 2008[Stoe & Cie (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, 2011[Brandenburg, K. (2011). 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: BT5900 ).


Acknowledgements

We gratefully acknowledge financial support by the DFG (project No. NA 720/3-1) and the State of Schleswig-Holstein. We thank Professor Dr Wolfgang Bensch for access to his experimental facilities.

References

Brandenburg, K. (2011). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Stoe & Cie (2008). X-AREA, X-RED32 and X-SHAPE. Stoe & Cie, Darmstadt, Germany.
Wriedt, M. & Näther, C. (2011). Dalton Trans. 40, 886-898.  [CrossRef] [ChemPort] [PubMed]


Acta Cryst (2012). E68, m696  [ doi:10.1107/S1600536812018363 ]

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