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Volume 69 
Part 5 
Page i32  
May 2013  

Received 17 April 2013
Accepted 23 April 2013
Online 30 April 2013

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](N-C) = 0.007 Å
R = 0.025
wR = 0.061
Data-to-parameter ratio = 13.0
Details
Open access

Tetraammine-2[kappa]4C-[mu]-cyanido-1:2[kappa]2C:N-tricyanido-1[kappa]3C-copper(II)palladium(II)

aDepartment of Inorganic Chemistry, Institute of Chemistry, P.J. Safárik University in Kosice, Moyzesova 11, 041 54 Kosice, Slovakia, and bFachbereich Chemie der Philipps Universität, Hans-Meerwein-Strasse, D-35043 Marburg, Germany
Correspondence e-mail: juraj.kuchar@upjs.sk

The title compound, [Cu(NH3)4-([mu]2-NC)-Pd(CN)3], is a binuclear copper(II)palladium(II) complex, in which the CuII coordination is defined by four ammine ligands and one bridging cyanide ligand. The Cu-N bond lengths in the base of the resulting CuN5 pyramid are in the range 2.016 (3)-2.024 (3) Å and the apical Cu-N([triple bond]C) distance is 2.385 (4) Å. Based on the [tau] parameter, the shape of the coordination polyhedron is tetragonal-pyramidal ([tau] = 0). All atoms of the square-planar tetracyanidopalladate(II) moiety and the CuII ion are located on a mirror plane. The electroneutral molecules interact by N-H...N hydrogen bonds, resulting in the formation of a three-dimensional network.

Related literature

For related crystal structures of CuII complexes see: Escorihuela et al. (2001[Escorihuela, I., Falvello, L. R. & Tomás, M. (2001). Inorg. Chem. 40, 636-640.]); Seitz et al. (2001[Seitz, K., Peschel, S. & Babel, D. (2001). Z. Anorg. Allg. Chem. 627, 929-934.]); Kuchár et al. (2004[Kuchár, J., Cernák, J. & Abboud, K. A. (2004). Acta Cryst. C60, m492-m494.]). For additional analysis of structural parameters, see: Addison et al. (1984[Addison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C. (1984). J. Chem. Soc. Dalton Trans. pp. 349-1356.]).

[Scheme 1]

Experimental

Crystal data
  • [CuPd(CN)4(NH3)4]

  • Mr = 342.17

  • Orthorhombic, P n m a

  • a = 14.5204 (9) Å

  • b = 7.2358 (5) Å

  • c = 10.3955 (6) Å

  • V = 1092.22 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 3.57 mm-1

  • T = 100 K

  • 0.3 × 0.1 × 0.1 mm

Data collection
  • Stoe IPDS-II diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.332, Tmax = 0.646

  • 4036 measured reflections

  • 1051 independent reflections

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

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.061

  • S = 1.00

  • 1051 reflections

  • 81 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.54 e Å-3

  • [Delta][rho]min = -1.26 e Å-3

Table 1
Selected bond lengths (Å)

Pd1-C4 1.985 (5)
Pd1-C2 1.992 (5)
Pd1-C3 1.994 (5)
Pd1-C1 2.005 (5)
Cu1-N6 2.016 (3)
Cu1-N5 2.024 (3)
Cu1-N4 2.385 (4)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N5-H5A...N1 0.91 2.34 3.237 (4) 167
N5-H5C...N3i 0.91 2.39 3.267 (4) 162
N5-H5B...N3ii 0.91 2.65 3.180 (4) 118
N5-H5B...N4iii 0.91 2.52 3.297 (4) 144
N6-H6B...N1ii 0.91 2.53 3.131 (4) 124
N6-H6B...N2iii 0.91 2.58 3.348 (4) 142
N6-H6A...N3i 0.91 2.31 3.199 (4) 165
Symmetry codes: (i) -x+1, -y+1, -z; (ii) [x+{\script{1\over 2}}, y, -z-{\script{1\over 2}}]; (iii) [-x+{\script{3\over 2}}, -y+1, z-{\script{1\over 2}}].

Data collection: X-AREA (Stoe & Cie, 2002[Stoe & Cie (2002). X-AREA. 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: DIAMOND (Crystal Impact, 2009[Crystal Impact (2009). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FF2104 ).


Acknowledgements

Financial support by the Slovak Ministry of Education (VEGA project No. 1/0075/13) and APVV-0132-11 is gratefully acknowledged.

References

Addison, A. W., Rao, T. N., Reedijk, J., van Rijn, J. & Verschoor, G. C. (1984). J. Chem. Soc. Dalton Trans. pp. 349-1356.
Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [details]
Crystal Impact (2009). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Escorihuela, I., Falvello, L. R. & Tomás, M. (2001). Inorg. Chem. 40, 636-640.  [CrossRef] [PubMed] [ChemPort]
Kuchár, J., Cernák, J. & Abboud, K. A. (2004). Acta Cryst. C60, m492-m494.  [CSD] [CrossRef] [details]
Seitz, K., Peschel, S. & Babel, D. (2001). Z. Anorg. Allg. Chem. 627, 929-934.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Stoe & Cie (2002). X-AREA. Stoe & Cie, Darmstadt, Germany.


Acta Cryst (2013). E69, i32  [ doi:10.1107/S1600536813011033 ]

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