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Volume 68 
Part 11 
Page m1346  
November 2012  

Received 26 September 2012
Accepted 8 October 2012
Online 13 October 2012

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.013 Å
R = 0.071
wR = 0.167
Data-to-parameter ratio = 15.0
Details
Open access

[Hydridotris(pyrazol-1-yl-[kappa]N2)borato]bis(methylamino-[kappa]N)(triphenylphosphine-[kappa]P)ruthenium(II) chloride dichloromethane solvate monohydrate

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

The title salt, [Ru(Tp)(CH5N)2(PPh3)]Cl·CH2Cl2·H2O [where Tp is (C3H3N2)3BH and PPH3 is C18H15P], has the RuIII atom in an octahedral geometry; one of the Ru-N(Tp) bonds [2.135 (8) Å] is slightly longer than another two, owing to the trans influence of PPh3 ligand. N-H...Cl and O-H...Cl hydrogen bonding leads to the formation of layers parallel to (100).

Related literature

For general background, see: Alcock et al. (1992[Alcock, N. W., Burns, I. D., Claire, K. S. & Hill, A. F. (1992). Inorg. Chem. 31, 2906-2908.]); Burrows et al. (2001[Burrows, A. D. (2001). CrystEngComm, 46, 1-5.]); Pavlik et al. (2005[Pavlik, S., Mereiter, K., Puchberger, M. & Kirchner, K. (2005). Organometallics, 24, 3561-3575.]); Slugovc et al. (1998[Slugovc, C., Mereiter, K., Schmid, R. & Kirchner, K. (1998). Organometallics, 17, 827-831.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(C9H10BN6)(CH5N)2(C18H15P)]Cl·CH2Cl2·H2O

  • Mr = 776.89

  • Monoclinic, P 21 /c

  • a = 12.3791 (8) Å

  • b = 13.1285 (9) Å

  • c = 21.5723 (15) Å

  • [beta] = 97.405 (4)°

  • V = 3476.7 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.77 mm-1

  • T = 200 K

  • 0.25 × 0.13 × 0.06 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.832, Tmax = 0.956

  • 22188 measured reflections

  • 6102 independent reflections

  • 2862 reflections with I > 2[sigma](I)

  • Rint = 0.110

Refinement
  • R[F2 > 2[sigma](F2)] = 0.071

  • wR(F2) = 0.167

  • S = 0.99

  • 6102 reflections

  • 408 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.31 e Å-3

  • [Delta][rho]min = -0.82 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N7-H7B...Cl3 0.92 2.54 3.430 (7) 164
N8-H8A...Cl3 0.92 2.37 3.293 (6) 178
O1-H1A...Cl3 0.83 2.58 3.342 (7) 154
O1-H1B...Cl3i 0.83 2.32 3.136 (7) 166
Symmetry code: (i) -x+1, -y+1, -z.

Data collection: COLLECT (Nonius, 2000[Nonius (2000). COLLECT. Nonius B. V., Delft, The Netherlands.]); cell refinement: HKL 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: HKL DENZO (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.] and 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 for Windows (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: NG5297 ).


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, Taiwan) for his assistance in 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]
Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [details]
Burrows, A. D. (2001). CrystEngComm, 46, 1-5.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Nonius (2000). COLLECT. Nonius B. V., 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]


Acta Cryst (2012). E68, m1346  [ doi:10.1107/S1600536812042110 ]

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