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Volume 68 
Part 11 
Pages m1361-m1362  
November 2012  

Received 2 October 2012
Accepted 10 October 2012
Online 13 October 2012

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.008 Å
R = 0.045
wR = 0.119
Data-to-parameter ratio = 15.0
Details
Open access

(Ammine)(carbonyl)[hydridotris(pyrazol-1-yl-[kappa]N2)borato](triphenylphosphine-[kappa]P)ruthenium(II) chloride dichloromethane disolvate

aDepartment of Applied Physics and Chemistry, Taipei Municipal University of Education, Taipei 10048, Taiwan
Correspondence e-mail: yhlo@mail.tmue.edu.tw

In the title compound, [Ru(CO)(NH3)(C9H10BN6)(C18H15P)]Cl·2CH2Cl2, the coordination environment around the RuII atom is distorted octahedral. One of the Ru-N(Tp) [Tp = hydridotris(pyrazol-1-yl)borate] bond lengths is slightly longer than the other two as a result of the influence of the trans CO ligand. In the crystal, N-H...Cl hydrogen bonds link the complex cations and Cl- anions. [pi]-[pi] interactions between the pyrazole rings [centroid-centroid distance = 3.764 (3) Å] are also present.

Related literature

For general background to complexes with hydridotris(pyrazolyl)borate ligands, see: Alcock et al. (1992[Alcock, N. W., Burns, I. D., Claire, K. S. & Hill, A. F. (1992). Inorg. Chem. 31, 2906-2908.]); Burrows (2001[Burrows, A. D. (2001). CrystEngComm, 46, 1-5.]); Chen et al. (2010[Chen, H.-G., Lo, Y.-H., Wang, H.-Y., Wu, F.-L., Hsiao, P.-I., Hsu, L.-S., Liang, Y.-R., Kuo, T.-S. & Huang, C.-C. (2010). Inorg. Chem. Commun. 13, 956-958.]); Lin et al. (2008[Lin, C.-H., Liang, Y.-R., Tong, H.-C., Lo, Y. H. & Kuo, T. S. (2008). Acta Cryst. E64, m1535.]); Lo et al. (2010[Lo, Y.-H., Fong, Y.-H., Tong, H.-C., Liang, Y.-R., Kuo, T.-S. & Huang, C.-C. (2010). Inorg. Chem. Commun. 13, 331-333.]); Pavlik et al. (2005[Pavlik, S., Mereiter, K., Puchberger, M. & Kirchner, K. (2005). Organometallics, 24, 3561-3575.]); Tong et al. (2008[Tong, H.-C., Chen Hsu, C.-Y., Liang, Y.-R., Lo, Y. H. & Lin, C.-H. (2008). Acta Cryst. E64, m1372-m1373.]). For related structures, see: Gemel et al. (1996[Gemel, C., Trimmel, G., Slugovc, C., Kremel, S., Mereiter, K., Schmid, R. & Kirchner, K. (1996). Organometallics, 15, 3998-4004.]); Slugovc et al. (1998[Slugovc, C., Mereiter, K., Schmid, R. & Kirchner, K. (1998). Organometallics, 17, 827-831.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(CO)(NH3)(C9H10BN6)(C18H15P)]Cl·2CH2Cl2

  • Mr = 826.73

  • Triclinic, [P \overline 1]

  • a = 12.4813 (4) Å

  • b = 12.5337 (4) Å

  • c = 14.5389 (5) Å

  • [alpha] = 83.520 (1)°

  • [beta] = 65.602 (1)°

  • [gamma] = 61.757 (1)°

  • V = 1815.02 (11) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.88 mm-1

  • T = 200 K

  • 0.19 × 0.18 × 0.06 mm

Data collection
  • Nonuis KappaCCD diffractometer

  • Absorption correction: multi-scan (DENZO/SCALEPACK; Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]) Tmin = 0.851, Tmax = 0.949

  • 15492 measured reflections

  • 6218 independent reflections

  • 5363 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.045

  • wR(F2) = 0.119

  • S = 1.06

  • 6218 reflections

  • 414 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.38 e Å-3

  • [Delta][rho]min = -1.29 e Å-3

Table 1
Selected bond lengths (Å)

Ru1-N1 2.121 (3)
Ru1-N3 2.136 (3)
Ru1-N5 2.100 (3)
Ru1-N7 2.132 (3)
Ru1-C1 1.851 (5)
Ru1-P1 2.3581 (11)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N7-H7A...Cl1i 0.91 2.67 3.454 (4) 145
N7-H7C...Cl1 0.91 2.46 3.240 (4) 143
Symmetry code: (i) -x+1, -y+2, -z+1.

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO/SCALEPACK; 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: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2593 ).


Acknowledgements

We gratefully acknowledge financial support from the National Science Council, Taiwan (NSC 99-2113-M-133-001-MY3) and from the Project of the Specific Research Fields, Taipei Municipal University of Education, Taiwan. We also thank Mr Ting Shen Kuo (Department of Chemistry, National Taiwan Normal University) for his assistance with the X-ray single-crystal structure analysis.

References

Alcock, N. W., Burns, I. D., Claire, K. S. & Hill, A. F. (1992). Inorg. Chem. 31, 2906-2908.  [CrossRef] [ChemPort] [ISI]
Burrows, A. D. (2001). CrystEngComm, 46, 1-5.
Chen, H.-G., Lo, Y.-H., Wang, H.-Y., Wu, F.-L., Hsiao, P.-I., Hsu, L.-S., Liang, Y.-R., Kuo, T.-S. & Huang, C.-C. (2010). Inorg. Chem. Commun. 13, 956-958.  [ISI] [CSD] [CrossRef] [ChemPort]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Gemel, C., Trimmel, G., Slugovc, C., Kremel, S., Mereiter, K., Schmid, R. & Kirchner, K. (1996). Organometallics, 15, 3998-4004.  [CrossRef] [ChemPort]
Lin, C.-H., Liang, Y.-R., Tong, H.-C., Lo, Y. H. & Kuo, T. S. (2008). Acta Cryst. E64, m1535.  [CrossRef] [details]
Lo, Y.-H., Fong, Y.-H., Tong, H.-C., Liang, Y.-R., Kuo, T.-S. & Huang, C.-C. (2010). Inorg. Chem. Commun. 13, 331-333.  [ISI] [CSD] [CrossRef] [ChemPort]
Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Pavlik, S., Mereiter, K., Puchberger, M. & Kirchner, K. (2005). Organometallics, 24, 3561-3575.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Slugovc, C., Mereiter, K., Schmid, R. & Kirchner, K. (1998). Organometallics, 17, 827-831.  [CrossRef] [ChemPort]
Tong, H.-C., Chen Hsu, C.-Y., Liang, Y.-R., Lo, Y. H. & Lin, C.-H. (2008). Acta Cryst. E64, m1372-m1373.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1361-m1362   [ doi:10.1107/S160053681204247X ]

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