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Volume 68 
Part 11 
Page m1432  
November 2012  

Received 17 October 2012
Accepted 25 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 200 K
Mean [sigma](C-C) = 0.009 Å
Disorder in solvent or counterion
R = 0.044
wR = 0.112
Data-to-parameter ratio = 14.9
Details
Open access

(2-Aminoethanethiolato-[kappa]2N,S)bis[1,2-bis(diphenylphosphanyl)ethane-[kappa]2P,P']ruthenium(II) hexafluoridophosphate

aDepartment of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan
Correspondence e-mail: igashira@chem.sci.osaka-u.ac.jp, konno@chem.sci.osaka-u.ac.jp

In the crystal of the title compound, [Ru(C2H6NS)(C26H24P2)2]PF6, the RuII atom is in a slightly distorted octahedral geometry, coordinated by one 2-aminoethanethiolate (aet) and two 1,2-bis(diphenylphosphanyl)ethane (dppe) ligands. The crystal consists of a pair of enantiomers ([Delta] and [Lambda]) of the compound. The [Delta] and [Lambda] isomers have the [lambda] and [delta] conformations for the aet chelate rings and the [delta] and [lambda] conformations for the dppe chelate rings. The F atoms of the PF6- counter-anion are disordered over three positions, with site occupancies of 0.4, 0.3 and 0.3.

Related literature

For closely related structures, see: Tamura et al. (2007[Tamura, M., Matsuura, N., Kawamoto, T. & Konno, T. (2007). Inorg. Chem. 46, 6834-6836.]); Matsuura et al. (2006[Matsuura, N., Igashira-Kamiyama, A., Kawamoto, T. & Konno, T. (2006). Inorg. Chem. 45, 401-408.]); Hanif et al. (1999[Hanif, K. M., Hursthouse, M. B., Kabir, S. E., Malik, K. M. A. & Rosenberg, E. (1999). J. Organomet. Chem. 580, 60-65.]). For conformation descriptors of the chelate rings, see: Gispert (2008[Gispert, J. R. (2008). Coordination Chemistry, pp. 103-107. Weinheim: Wiley-VCH.]). For the starting material, see: Bautista et al. (1991[Bautista, M. T., Cappellani, E. P., Drouin, S. D., Morris, R. H., Schweitzer, C. T., Sella, A. & Zubkowsky, J. (1991). J. Am. Chem. Soc. 113, 4876-4887.]). For a description of the Cambridge Structural Database, see: Allen (2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]).

[Scheme 1]

Experimental

Crystal data
  • [Ru(C2H6NS)(C26H24P2)2]PF6

  • Mr = 1118.96

  • Monoclinic, C c

  • a = 21.1985 (17) Å

  • b = 11.4000 (9) Å

  • c = 20.9346 (17) Å

  • [beta] = 106.588 (2)°

  • V = 4848.6 (7) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.59 mm-1

  • T = 200 K

  • 0.15 × 0.08 × 0.08 mm

Data collection
  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Rigaku, 1995[Rigaku (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.684, Tmax = 0.954

  • 23148 measured reflections

  • 9513 independent reflections

  • 7722 reflections with I > 2[sigma](I)

  • Rint = 0.067

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.112

  • S = 1.20

  • 9513 reflections

  • 638 parameters

  • 4 restraints

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

  • [Delta][rho]max = 1.02 e Å-3

  • [Delta][rho]min = -0.88 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 3981 Friedel pairs

  • Flack parameter: -0.02 (3)

Table 1
Selected bond lengths (Å)

Ru1-N1 2.209 (5)
Ru1-P1 2.3586 (14)
Ru1-P4 2.3672 (15)
Ru1-P3 2.3698 (13)
Ru1-P2 2.4249 (13)
Ru1-S1 2.4317 (15)

Data collection: PROCESS-AUTO (Rigaku, 2000[Rigaku (2000). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; 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: Yadokari-XG 2009 (Kabuto et al., 2009[Kabuto, C., Akine, S., Nemoto, T. & Kwon, E. (2009). Nihon Kessho Gakkaishi, 51, 218-224.]); software used to prepare material for publication: Yadokari-XG 2009.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GK2528 ).


Acknowledgements

This work was supported by a Grant-in-Aid for Science Research (grant No. 23350026) from the Ministry of Education, Culture, Sports, Science and Technology of Japan.

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [ISI] [CrossRef] [details]
Bautista, M. T., Cappellani, E. P., Drouin, S. D., Morris, R. H., Schweitzer, C. T., Sella, A. & Zubkowsky, J. (1991). J. Am. Chem. Soc. 113, 4876-4887.  [CrossRef]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Gispert, J. R. (2008). Coordination Chemistry, pp. 103-107. Weinheim: Wiley-VCH.
Hanif, K. M., Hursthouse, M. B., Kabir, S. E., Malik, K. M. A. & Rosenberg, E. (1999). J. Organomet. Chem. 580, 60-65.  [CrossRef] [ChemPort]
Kabuto, C., Akine, S., Nemoto, T. & Kwon, E. (2009). Nihon Kessho Gakkaishi, 51, 218-224.  [CrossRef]
Matsuura, N., Igashira-Kamiyama, A., Kawamoto, T. & Konno, T. (2006). Inorg. Chem. 45, 401-408.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Rigaku (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (2000). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tamura, M., Matsuura, N., Kawamoto, T. & Konno, T. (2007). Inorg. Chem. 46, 6834-6836.  [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2012). E68, m1432  [ doi:10.1107/S1600536812044273 ]

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