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Volume 69 
Part 4 
Pages m200-m201  
April 2013  

Received 22 February 2013
Accepted 6 March 2013
Online 13 March 2013

Key indicators
Single-crystal X-ray study
T = 130 K
Mean [sigma](C-C) = 0.006 Å
R = 0.062
wR = 0.096
Data-to-parameter ratio = 17.4
Details
Open access

[1,2-Bis(diisopropylphosphanyl)ethane-[kappa]2P,P'](carbonato-[kappa]2O,O')nickel(II)

aFacultad de Química, Universidad Nacional Autónoma de México, México DF, 04510, Mexico
Correspondence e-mail: juvent@unam.mx

In the crystal of the title compound, [Ni(CO3)(C14H32P2)], the metal center in each of three independent molecules shows slight tetrahedral distortion from ideal square-planar coordination geometry, with angles between the normals to the planes defined by the cis-P-Ni-P and cis-O-Ni-O fragments of 3.92 (17), 0.70 (16) and 2.17 (14)° in the three molecules. In the crystal, there are intermolecular C-H...O hydrogen bonds that show a laminar growth in the ab plane.

Related literature

For the synthesis and related structures, see: González-Sebastián et al. (2012[González-Sebastián, L., Flores-Alamo, M. & García, J. J. (2012). Organometallics, 31, 8200-8207.]); Cañavera-Buelvas et al. (2011[Cañavera-Buelvas, F., Flores-Alamo, M. & García, J. J. (2011). Acta Cryst. E67, m501.]); Castellanos-Blanco et al. (2011[Castellanos-Blanco, N. Y., García, J. J. & Flores-Alamo, M. (2011). Acta Cryst. E67, m871.]); Angulo et al. (2003[Angulo, I. M., Bouwman, E., van Gorkum, R., Lok, S. M., Lutz, M. & Spek, A. L. (2003). J. Mol. Catal. A Chem. 202, 97-106. ]); Dahlenburg & Kurth (2001[Dahlenburg, L. & Kurth, V. (2001). Inorg. Chim. Acta, 319, 176-182. ]). For applications of nickel complexes to catalytic systems, see: Vicic & Jones (1997[Vicic, D. A. & Jones, W. D. (1997). J. Am. Chem. Soc. 119, 10855-10856.]); Arévalo & García (2010[Arévalo, A. & García, J. J. (2010). Eur. J. Inorg. Chem. pp. 4063-4074.]). For nickel compounds in CO2 activation, see: Anderson et al. (2010[Anderson, J. S., Iluc, V. M. & Hillhouse, G. L. (2010). Inorg. Chem. 49, 10203-10207. ]); Aresta et al. (1975[Aresta, M. N., Nobile, C. F., Albano, V. G., Forni, E. & Manasero, M. (1975). J. Chem. Soc. Chem. Commun. pp. 636-637. ]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(CO3)(C14H32P2)]

  • Mr = 381.06

  • Monoclinic, P 21 /n

  • a = 8.4974 (4) Å

  • b = 46.582 (2) Å

  • c = 14.7342 (7) Å

  • [beta] = 103.618 (4)°

  • V = 5668.2 (5) Å3

  • Z = 12

  • Mo K[alpha] radiation

  • [mu] = 1.20 mm-1

  • T = 130 K

  • 0.33 × 0.06 × 0.03 mm

Data collection
  • Oxford Diffraction Xcalibur (Atlas, Gemini) diffractometer

  • Absorption correction: analytical (CrysAlis PRO; Oxford Diffraction, 2010[Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]) Tmin = 0.813, Tmax = 0.965

  • 42978 measured reflections

  • 10329 independent reflections

  • 7642 reflections with I > 2[sigma](I)

  • Rint = 0.088

Refinement
  • R[F2 > 2[sigma](F2)] = 0.062

  • wR(F2) = 0.096

  • S = 1.09

  • 10329 reflections

  • 592 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.57 e Å-3

  • [Delta][rho]min = -0.59 e Å-3

Table 1
Selected bond lengths (Å)

Ni1A-O1A 1.879 (2)
Ni1A-O2A 1.885 (3)
Ni1A-P1A 2.1390 (12)
Ni1A-P2A 2.1460 (11)
Ni1B-O2B 1.887 (2)
Ni1B-O1B 1.890 (3)
Ni1B-P2B 2.1399 (12)
Ni1B-P1B 2.1415 (11)
Ni1C-O2C 1.877 (3)
Ni1C-O1C 1.889 (2)
Ni1C-P2C 2.1433 (10)
Ni1C-P1C 2.1481 (12)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C5A-H5A1...O3Ai 0.98 2.70 3.670 (5) 169
C4A-H4A3...O1Ai 0.98 2.69 3.448 (5) 134
C8C-H8C1...O3Cii 0.98 2.71 3.595 (5) 150
C10B-H10F...O3Bii 0.98 2.52 3.335 (5) 141
C1A-H1A2...O3Bii 0.99 2.23 3.204 (5) 168
C1C-H1C2...O3Aiii 0.99 2.50 3.443 (5) 159
C9C-H9C...O2Aiii 1.00 2.48 3.455 (5) 165
C1B-H1B1...O3Civ 0.99 2.50 3.452 (5) 161
C6B-H6B...O3Civ 1.00 2.60 3.516 (5) 153
Symmetry codes: (i) x+1, y, z; (ii) x-1, y, z; (iii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (iv) -x+1, -y, -z+1.

Data collection: CrysAlis CCD (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]); cell refinement: CrysAlis RED (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.]); data reduction: CrysAlis RED; 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, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RU2049 ).


Acknowledgements

The authors thank PAPIIT-DGAPA-UNAM (IN-210613) and CONACYT (178265) for their financial support of this work.

References

Anderson, J. S., Iluc, V. M. & Hillhouse, G. L. (2010). Inorg. Chem. 49, 10203-10207.   [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Angulo, I. M., Bouwman, E., van Gorkum, R., Lok, S. M., Lutz, M. & Spek, A. L. (2003). J. Mol. Catal. A Chem. 202, 97-106.   [ISI] [CSD] [CrossRef] [ChemPort]
Aresta, M. N., Nobile, C. F., Albano, V. G., Forni, E. & Manasero, M. (1975). J. Chem. Soc. Chem. Commun. pp. 636-637.
Arévalo, A. & García, J. J. (2010). Eur. J. Inorg. Chem. pp. 4063-4074.
Cañavera-Buelvas, F., Flores-Alamo, M. & García, J. J. (2011). Acta Cryst. E67, m501.  [CSD] [CrossRef] [details]
Castellanos-Blanco, N. Y., García, J. J. & Flores-Alamo, M. (2011). Acta Cryst. E67, m871.  [CrossRef] [details]
Dahlenburg, L. & Kurth, V. (2001). Inorg. Chim. Acta, 319, 176-182.   [ISI] [CSD] [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
González-Sebastián, L., Flores-Alamo, M. & García, J. J. (2012). Organometallics, 31, 8200-8207.
Oxford Diffraction (2009). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.
Oxford Diffraction (2010). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, Oxfordshire, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Vicic, D. A. & Jones, W. D. (1997). J. Am. Chem. Soc. 119, 10855-10856.  [CrossRef] [ChemPort] [ISI]


Acta Cryst (2013). E69, m200-m201   [ doi:10.1107/S1600536813006521 ]

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