[5-(Pyridin-2-yl)-1H-tetra­zole-κ2N4,N5]bis(triphenyl­phosphane-κP)copper(I) tetra­fluoridoborate

Lu, L.; Yang, P.; Li, B.; Shi, L.-F.; Cao, H.-R.

doi:10.1107/S1600536812047605

Volume 68
Part 12
Page m1527
December 2012

Received 8 October 2012
Accepted 20 November 2012
Online 28 November 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R = 0.050
wR = 0.166
Data-to-parameter ratio = 17.8
Details

[5-(Pyridin-2-yl)-1H-tetrazole-²N⁴,N⁵]bis(triphenylphosphane-P)copper(I) tetrafluoridoborate

Lei Lu,^a Ping Yang,^a Bing Li,^a Lin-Fang Shi ^a ^* and Hua-Ru Cao ^a

^aCollege of Sciences, Zhejiang A & F University, Hangzhou 311300, People's Republic of China
Correspondence e-mail: lfshi2003@163.com

In the title Cu^I compound, [Cu(C₆H₅N₅)(C₁₈H₁₅P)₂]BF₄, the Cu^I cation is N,N'-chelated by a 5-(pyridin-2-yl)-1H-tetrazole ligand and coordinated by two triphenylphosphane ligands in a distorted tetrahedral geometry. The tetrazole and pyridine rings are essentially coplanar [dihedral angle = 4.1 (3)°]. The tetrafluoridoborate anion links to the complex cation via an N-HF hydrogen bond.

Related literature

For applications of Cu^I complexes, see: Jia et al. (2005); Tsuboyama et al. (2007); Zhang et al. (2004). For the synthesis, see: Kuang et al. (2002); Demko & Sharpless (2001).

Experimental

Crystal data

[Cu(C₆H₅N₅)(C₁₈H₁₅P)₂]BF₄
M_r = 822.05
Triclinic, $[P \overline 1]$
a = 9.6640 (19) Å
b = 13.052 (3) Å
c = 15.947 (3) Å
= 88.66 (3)°
= 84.80 (3)°
= 85.72 (3)°
V = 1997.3 (7) Å³
Z = 2
Mo K radiation
= 0.68 mm^-1
T = 293 K
0.29 × 0.17 × 0.16 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.908, T_max = 0.947
19069 measured reflections
8838 independent reflections
4984 reflections with I > 2(I)
R_int = 0.036

Refinement

R[F² > 2(F²)] = 0.050
wR(F²) = 0.166
S = 1.14
8838 reflections
496 parameters
H-atom parameters constrained
_max = 0.70 e Å^-3
_min = -1.12 e Å^-3

Table 1
Selected bond lengths (Å)

Cu-P1	2.2575 (13)
Cu-P2	2.2538 (14)
Cu-N1	2.185 (4)
Cu-N2	2.103 (4)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N5-H55F4ⁱ	0.86	1.80	2.650 (7)	168
Symmetry code: (i) -x+2, -y+1, -z+2.

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; 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: XU5633 ).

Acknowledgements

This work was supported by the Natural Science Foundation of Zhejiang Province (grant No. LY12B02013), the Foundation of Zhejiang Education Committee (Y201119787), the National Natural Science Foundation of China (No. 51103136) and the National Natural Science Foundation of China (No. 21207117).

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Demko, Z. P. & Sharpless, K. B. (2001). J. Org. Chem. 66, 7945-7950.
Jia, W., McCormick, T., Tao, Y., Liu, J. & Wang, S. (2005). Inorg. Chem. 44, 5706-5712.
Kuang, S., Cuttell, D. G., McMillin, D. R., Fanwick, P. E. & Walton, R. A. (2002). Inorg. Chem. 41, 3313-3322.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Tsuboyama, A., Kuge, K., Furugori, M., Okada, S., Hoshino, M. & Ueno, K. (2007). Inorg. Chem. 46, 1992-2001.
Zhang, Q.-S., Zhou, Q.-G., Cheng, Y., Wang, L.-X., Ma, D.-G., Jing, X.-B. & Wang, F.-S. (2004). Adv. Mater. 16, 432-436.

metal-organic compounds

[5-(Pyridin-2-yl)-1H-tetrazole-2N4,N5]bis(triphenylphosphane-P)copper(I) tetrafluoridoborate