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Volume 68 
Part 1 
Page m43  
January 2012  

Received 21 November 2011
Accepted 28 November 2011
Online 14 December 2011

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.033
wR = 0.091
Data-to-parameter ratio = 12.9
Details
Open access

Tetrakis([mu]-4-azidobenzoato-[kappa]2O:O')bis[(N,N-dimethylformamide-[kappa]O)copper(II)]

Aidong Wanga*

aDepartment of Chemistry, Huangshan University, Huangshan 245041, People's Republic of China
Correspondence e-mail: aidongwang2011@163.com

The binuclear title compound, [Cu2(C7H4N3O2)4(C3H7NO)2], is a discrete metal-organic compound having a paddle-wheel-type structure. The Cu...Cu distance is 2.6366 (5) Å and an inversion center is located at the mid-point of this bond. The CuII cation is coordinated by four carboxylate O atoms from four 4-azidobenzoate ligands, and one O atom from a dimethylformamide molecule, forming an overall distorted octahedral geometry when the Cu...Cu bond is also considered.

Related literature

For similar complexes displaying a paddle-wheel structure, see: Del Sesto et al. (2000[Del Sesto, R. E., Arif, A. M. & Miller, J. S. (2000). Inorg. Chem. 39, 4894-4902.]); Li et al. (2011[Li, Y.-W., Zhao, J.-P., Wang, L.-F. & Bu, X.-H. (2011). CrystEngComm, 13, 6002-6006.]). For the synthesis of 4-azidobenzoic acid, see: Sato et al. (2010[Sato, H., Matsuda, R., Sugimoto, K., Takata, M. & Kitagawa, S. (2010). Nat. Mater. 9, 661-666.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu2(C7H4N3O2)4(C3H7NO)2]

  • Mr = 921.80

  • Monoclinic, P 21 /c

  • a = 11.9209 (8) Å

  • b = 17.9387 (10) Å

  • c = 9.3680 (5) Å

  • [beta] = 91.277 (5)°

  • V = 2002.8 (2) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.14 mm-1

  • T = 293 K

  • 0.2 × 0.2 × 0.2 mm
Data collection

  • Rigaku Mercury70 diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2002[Rigaku (2002). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.805, Tmax = 0.805

  • 12312 measured reflections

  • 3496 independent reflections

  • 3141 reflections with I > 2[sigma](I)

  • Rint = 0.031
Refinement

  • R[F2 > 2[sigma](F2)] = 0.033

  • wR(F2) = 0.091

  • S = 1.02

  • 3496 reflections

  • 271 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.33 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Data collection: CrystalClear (Rigaku, 2002[Rigaku (2002). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BH2402 ).

References

Del Sesto, R. E., Arif, A. M. & Miller, J. S. (2000). Inorg. Chem. 39, 4894-4902.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Li, Y.-W., Zhao, J.-P., Wang, L.-F. & Bu, X.-H. (2011). CrystEngComm, 13, 6002-6006.  [ISI] [CSD] [CrossRef] [ChemPort]
Rigaku (2002). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sato, H., Matsuda, R., Sugimoto, K., Takata, M. & Kitagawa, S. (2010). Nat. Mater. 9, 661-666.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]

Acta Cryst (2012). E68, m43  [ doi:10.1107/S1600536811050999 ]

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