(Ammine)(carbon­yl)[hydridotris(pyrazol-1-yl-κN2)borato](triphenyl­phosphine-κP)ruthenium(II) chloride dichloro­methane disolvate

Hu, T.-C.; Ye, J.-X.; He, S.-T.; Chiang, G.-R.; Lo, Y.-H.

doi:10.1107/S160053681204247X

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 (C-C) = 0.008 Å
R = 0.045
wR = 0.119
Data-to-parameter ratio = 15.0
Details

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

Ting-Chuan Hu,^a Jun-Xlan Ye,^a Sheng-Ting He,^a Guan-Ru Chiang ^a and Yih-Hsing Lo ^a ^*

^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 Ru^II 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-HCl 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); Burrows (2001); Chen et al. (2010); Lin et al. (2008); Lo et al. (2010); Pavlik et al. (2005); Tong et al. (2008). For related structures, see: Gemel et al. (1996); Slugovc et al. (1998).

Experimental

Crystal data

[Ru(CO)(NH₃)(C₉H₁₀BN₆)(C₁₈H₁₅P)]Cl·2CH₂Cl₂
M_r = 826.73
Triclinic, $[P \overline 1]$
a = 12.4813 (4) Å
b = 12.5337 (4) Å
c = 14.5389 (5) Å
= 83.520 (1)°
= 65.602 (1)°
= 61.757 (1)°
V = 1815.02 (11) Å³
Z = 2
Mo K radiation
= 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) T_min = 0.851, T_max = 0.949
15492 measured reflections
6218 independent reflections
5363 reflections with I > 2(I)
R_int = 0.026

Refinement

R[F² > 2(F²)] = 0.045
wR(F²) = 0.119
S = 1.06
6218 reflections
414 parameters
H-atom parameters constrained
_max = 1.38 e Å^-3
_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-HA	D-H	HA	DA	D-HA
N7-H7ACl1ⁱ	0.91	2.67	3.454 (4)	145
N7-H7CCl1	0.91	2.46	3.240 (4)	143
Symmetry code: (i) -x+1, -y+2, -z+1.

Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO/SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

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.
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.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
Gemel, C., Trimmel, G., Slugovc, C., Kremel, S., Mereiter, K., Schmid, R. & Kirchner, K. (1996). Organometallics, 15, 3998-4004.
Lin, C.-H., Liang, Y.-R., Tong, H.-C., Lo, Y. H. & Kuo, T. S. (2008). Acta Cryst. E64, m1535.
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.
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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Slugovc, C., Mereiter, K., Schmid, R. & Kirchner, K. (1998). Organometallics, 17, 827-831.
Tong, H.-C., Chen Hsu, C.-Y., Liang, Y.-R., Lo, Y. H. & Lin, C.-H. (2008). Acta Cryst. E64, m1372-m1373.

metal-organic compounds

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