(IUCr) [N,N'-(1,2-Diphenylethane-1,2-diyl)bis(pyridine-2-carboxamidato)]nickel(II) diethyl ether hemisolvate

Volume 64
Part 3
Page m439
March 2008

Received 19 November 2007
Accepted 25 January 2008
Online 6 February 2008

Key indicators
Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.003 Å
Disorder in solvent or counterion
R = 0.059
wR = 0.163
Data-to-parameter ratio = 18.7
Details

[N,N'-(1,2-Diphenylethane-1,2-diyl)bis(pyridine-2-carboxamidato)]nickel(II) diethyl ether hemisolvate

Li Yang,^a Dong-Yan Deng,^a Mei Li ^a and Xiang-Ge Zhou ^a ^*

^aInstitute of Homogeneous Catalysis, Department of Chemistry, Sichuan University, Chengdu 610064, People's Republic of China
Correspondence e-mail: scuzhouxg@163.com

In the title compound, [Ni(C₂₆H₂₀N₄O₂)]·0.5C₄H₁₀O, the central metal ion is coordinated by four atoms of the tetradentate picolinamide ligand, forming a slightly distorted square-planar configuration, with an average Ni-N(pyridine) distance of 1.94 Å and an average Ni-N(amide) distance of 1.83 Å. The asymmetric unit contains one half-molecule of diethyl ether; this solvent molecule is disordered across a twofold rotation axis..

Related literature

For related literature, see: Barnes et al. (1981); Doukov et al. (2002); Fenton et al. (1991); Halcrow et al. (1994); Mulqi et al. (1981); Yang et al. (2007).

Experimental

Crystal data

[Ni(C₂₆H₂₀N₄O₂)]·0.5C₄H₁₀O
M_r = 516.23
Monoclinic, C 2
a = 21.838 (3) Å
b = 11.1675 (15) Å
c = 11.0443 (15) Å
= 100.949 (3)°
V = 2644.5 (6) Å³
Z = 4
Mo K radiation
= 0.77 mm^-1
T = 294 (2) K
0.38 × 0.14 × 0.06 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.879, T_max = 0.956
12577 measured reflections
6078 independent reflections
3405 reflections with I > 2(I)
R_int = 0.067

Refinement

R[F² > 2(F²)] = 0.058
wR(F²) = 0.162
S = 1.01
6078 reflections
325 parameters
17 restraints
H-atom parameters constrained
_max = 0.82 e Å^-3
_min = -0.43 e Å^-3
Absolute structure: Flack (1983), 2840 Friedel pairs
Flack parameter: 0.03 (2)

Table 1
Selected bond lengths (Å)

Ni1-N3	1.8227 (13)
Ni1-N1	1.8349 (17)
Ni1-N2	1.9410 (17)
Ni1-N4	1.9527 (17)

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: AV2001 ).

Acknowledgements

This project was sponsored by the NSFC (grant Nos. 20672075, 20771076) and the Student Innovation Foundation of Sichuan University.

References

Barnes, D. J., Chapman, R. L. F. S. & Vagg, R. S. (1981). Inorg. Chim. Acta, 51, 155-162.
Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Doukov, T. I., Iverson, T. M., Seravalli, J., Ragsdale, S. W. & Drennan, C. L. (2002). Science, 298, 567-572.
Fenton, R. R., Stephens, F. S. & Vagg, R. S. (1991). J. Coord. Chem. 23, 291-311.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Halcrow, M. A., Christou, G., Halcrow, M. A. & Christou, G. (1994). Chem. Rev. 94, 2421-2481.
Mulqi, M., Stephens, F. S. & Vagg, R. S. (1981). Inorg. Chim. Acta, 52, 73-77.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Yang, L., Wei, R. L., Li, R., Zhou, X. G. & Zuo, J. L. (2007). J. Mol. Catal. A: Chem. 266, 284-289.

metal-organic compounds