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Volume 68 
Part 12 
Pages m1486-m1487  
December 2012  

Received 31 October 2012
Accepted 7 November 2012
Online 17 November 2012

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.005 Å
R = 0.039
wR = 0.089
Data-to-parameter ratio = 16.5
Details
Open access

[(R)-2,2-Bis(diphenylphosphanyl)-1,1'-binaphthyl-[kappa]2P,P']{2-[(2R)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]-5-methoxyphenyl-[kappa]C1}hydridoruthenium(II) benzene monosolvate

aKanata Chemical Technologies Inc., 101 College Street, Office 230, Toronto, Ontario, Canada M5G 1L7, and bDepartment of Chemistry, University of Toronto, Toronto, Ontario, Canada M5S 3H6
Correspondence e-mail: alough@chem.utoronto.ca

In the title complex, [Ru(C19H25N2O2)H(C44H32P2)]·C6H6, the RuII ion is in a distorted octahedral coordination environment with the hydride H atom trans to the tertiary carbinamine N atom, giving an H-Ru-N angle of 160.8 (12)°. The equatorial sites are occupied by two P atoms, the secondary carbinamine N atom and a coordinated C atom.

Related literature

For the synthesis of Ru(II) hydride complexes with an RuN2P2 coordination environment, see: Abdur-Rashid, Faatz et al. (2001[Abdur-Rashid, K., Faatz, M., Lough, A. J. & Morris, R. H. (2001). J. Am. Chem. Soc. 123, 7473-7474.]); Abdur-Rashid, Abbel et al. (2005[Abdur-Rashid, K., Abbel, R., Hadzovic, A., Lough, A. J. & Morris, R. H. (2005). Inorg. Chem. 44, 2483-2492.]); Ohkuma et al. (1995[Ohkuma, T., Ooka, H., Ikariya, T. & Noyori, R. (1995). J. Am. Chem. Soc. 117, 10417-10418.]). For their use as catalysts, see: Abdur-Rashid, Guo et al. (2005[Abdur-Rashid, K., Guo, R., Lough, A. J., Morris, R. H. & Song, D. (2005). Adv. Synth. Catal. 347, 571-579.]); Abdur-Rashid et al. (2000[Abdur-Rashid, K., Lough, A. J. & Morris, R. H. (2000). Organometallics, 19, 2655-2657.]); Abdur-Rashid, Lough et al. (2001[Abdur-Rashid, K., Lough, A. J. & Morris, R. H. (2001). Organometallics, 20, 1047-1049.]); Cobley & Henschke (2003[Cobley, C. J. & Henschke, J. P. (2003). Adv. Synth. Catal. 345, 195-201.]); Doucet et al. (1998[Doucet, H., Ohkuma, T., Murata, K., Yokozawa, T., Kozawa, M., Katayama, E., England, A. F., Ikariya, T. & Noyori, R. (1998). Angew. Chem. Int. Ed. 37, 1703-1707.]); Matsumura et al. (2011[Matsumura, K., Arai, N., Hori, K., Saito, T., Sayo, N. & Ohkuma, T. (2011). J. Am. Chem. Soc. 133, 10696-10699.]). For related structures, see: Guo et al. (2004[Guo, R., Lough, A. J., Morris, R. H. & Song, D. (2004). Organometallics, 23, 5524-5529.]); Li et al. (2004[Li, T., Churlaud, R., Lough, A. J., Abdur-Rashid, K. & Morris, R. H. (2004). Organometallics, 23, 6239-6247.]). For kinetic studies, see: Abbel et al. (2005[Abbel, R., Abdur-Rashid, K., Faatz, M., Hadzovic, A., Lough, A. J. & Morris, R. H. (2005). J. Am. Chem. Soc. 127, 1870-1882.]); Abdur-Rashid et al. (2002[Abdur-Rashid, K., Clapham, S. E., Hadzovic, A., Harvey, J. N., Lough, A. J. & Morris, R. H. (2002). J. Am. Chem. Soc. 124, 15104-15118.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(C19H25N2O2)H(C44H32P2)]·C6H6

  • Mr = 1116.23

  • Monoclinic, C 2

  • a = 38.8848 (8) Å

  • b = 13.5741 (3) Å

  • c = 10.8871 (2) Å

  • [beta] = 103.967 (1)°

  • V = 5576.6 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.39 mm-1

  • T = 150 K

  • 0.35 × 0.32 × 0.25 mm

Data collection
  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SORTAV; Blessing, 1995[Blessing, R. H. (1995). Acta Cryst. A51, 33-38.]) Tmin = 0.876, Tmax = 0.909

  • 21246 measured reflections

  • 11534 independent reflections

  • 10079 reflections with I > 2[sigma](I)

  • Rint = 0.051

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.089

  • S = 1.04

  • 11534 reflections

  • 698 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.54 e Å-3

  • [Delta][rho]min = -0.54 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 4924 Friedel pairs

  • Flack parameter: -0.045 (19)

Data collection: COLLECT (Nonius, 2002[Nonius (2002). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: DENZO-SMN (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-SMN; program(s) used to solve structure: SIR92 (Altomare et al., 1994[Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.]); program(s) used to refine structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: VM2180 ).


Acknowledgements

The authors wish to acknowledge NSERC Canada and the University of Toronto for funding and donors of the American Chemical Society Petroleum Research Fund for partial support of this research.

References

Abbel, R., Abdur-Rashid, K., Faatz, M., Hadzovic, A., Lough, A. J. & Morris, R. H. (2005). J. Am. Chem. Soc. 127, 1870-1882.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Abdur-Rashid, K., Abbel, R., Hadzovic, A., Lough, A. J. & Morris, R. H. (2005). Inorg. Chem. 44, 2483-2492.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Abdur-Rashid, K., Clapham, S. E., Hadzovic, A., Harvey, J. N., Lough, A. J. & Morris, R. H. (2002). J. Am. Chem. Soc. 124, 15104-15118.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Abdur-Rashid, K., Faatz, M., Lough, A. J. & Morris, R. H. (2001). J. Am. Chem. Soc. 123, 7473-7474.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Abdur-Rashid, K., Guo, R., Lough, A. J., Morris, R. H. & Song, D. (2005). Adv. Synth. Catal. 347, 571-579.  [CSD] [CrossRef] [ChemPort]
Abdur-Rashid, K., Lough, A. J. & Morris, R. H. (2000). Organometallics, 19, 2655-2657.  [ChemPort]
Abdur-Rashid, K., Lough, A. J. & Morris, R. H. (2001). Organometallics, 20, 1047-1049.  [CrossRef] [ChemPort]
Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.  [CrossRef] [details]
Blessing, R. H. (1995). Acta Cryst. A51, 33-38.  [CrossRef] [details]
Cobley, C. J. & Henschke, J. P. (2003). Adv. Synth. Catal. 345, 195-201.  [CrossRef] [ChemPort]
Doucet, H., Ohkuma, T., Murata, K., Yokozawa, T., Kozawa, M., Katayama, E., England, A. F., Ikariya, T. & Noyori, R. (1998). Angew. Chem. Int. Ed. 37, 1703-1707.  [ISI] [CrossRef] [ChemPort]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Guo, R., Lough, A. J., Morris, R. H. & Song, D. (2004). Organometallics, 23, 5524-5529.  [CSD] [CrossRef] [ChemPort]
Li, T., Churlaud, R., Lough, A. J., Abdur-Rashid, K. & Morris, R. H. (2004). Organometallics, 23, 6239-6247.  [CSD] [CrossRef] [ChemPort]
Matsumura, K., Arai, N., Hori, K., Saito, T., Sayo, N. & Ohkuma, T. (2011). J. Am. Chem. Soc. 133, 10696-10699.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Nonius (2002). COLLECT. Nonius BV, Delft, The Netherlands.
Ohkuma, T., Ooka, H., Ikariya, T. & Noyori, R. (1995). J. Am. Chem. Soc. 117, 10417-10418.  [CrossRef] [ChemPort] [ISI]
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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1486-m1487   [ doi:10.1107/S1600536812046065 ]

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