Bis{N,N-bis­[(diphenyl­phosphan­yl)meth­yl]aniline-κ2P,P′}copper(I) tetra­fluoridoborate

Shang, J.; Huang, L.-L.; Huang, T.-H.; Ma, K.; Ni, Q.-L.

doi:10.1107/S160053681005186X

Volume 67
Part 1
Page m96
January 2011

Received 27 November 2010
Accepted 10 December 2010
Online 18 December 2010

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.009 Å
R = 0.059
wR = 0.198
Data-to-parameter ratio = 14.5
Details

Bis{N,N-bis[(diphenylphosphanyl)methyl]aniline-²P,P'}copper(I) tetrafluoridoborate

Jing Shang,^a Li-Li Huang,^b Ting-Hong Huang,^a Kai Ma ^a and Qing-Ling Ni ^a ^*

^aSchool of Chemistry and Chemical Engineering, Guangxi Normal University, Guilin 541004, People's Republic of China, and ^bSiChuan College of Chemical Technology, Luzhou 646005, People's Republic of China
Correspondence e-mail: shangjing6688@yahoo.com.cn

In the cation of the title compound, [Cu(C₃₂H₂₉NP₂)₂]BF₄, the Cu^I atom is four-coordinated in a distorted tetrahedral geometry by four P atoms from two N,N-bis[(diphenylphosphanyl)methyl]aniline ligands. In the crystal, the cations are linked by C-H [pi] interactions, forming chains along the a axis. Intramolecular C-HN and intermolecular C-HF hydrogen bonds are also observed.

Related literature

For the structures and properties of related copper(I) complexes, see: Saravanabharathi et al. (2002); Chen et al. (2004); Sivasankar et al. (2004); Wang et al. (2008); Huang et al. (2009).

Experimental

Crystal data

[Cu(C₃₂H₂₉NP₂)₂]BF₄
M_r = 1129.35
Triclinic, $[P \overline 1]$
a = 11.004 (2) Å
b = 12.642 (3) Å
c = 21.725 (4) Å
= 79.601 (3)°
= 78.593 (3)°
= 76.110 (3)°
V = 2847.7 (10) Å³
Z = 2
Mo K radiation
= 0.55 mm^-1
T = 296 K
0.20 × 0.10 × 0.10 mm

Data collection

Bruker SMART 1000 CCD diffractometer
15689 measured reflections
9918 independent reflections
6522 reflections with I > 2(I)
R_int = 0.035

Refinement

R[F² > 2(F²)] = 0.059
wR(F²) = 0.198
S = 1.06
9918 reflections
685 parameters
H-atom parameters constrained
_max = 0.73 e Å^-3
_min = -0.47 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1 and Cg2 are the centroids of the C33-C38 and C1-C6 rings, respectively.

D-HA	D-H	HA	DA	D-HA
C22-H22N1	0.93	2.53	3.189 (6)	128
C7-H7AF3ⁱ	0.97	2.25	3.181 (6)	161
C18-H18Cg1ⁱ	0.93	2.72	3.653 (6)	177
C42-H42Cg2ⁱⁱ	0.93	2.88	3.678 (5)	144
Symmetry codes: (i) x-1, y, z; (ii) x+1, y, z.

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); 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: RZ2534 ).

Acknowledgements

This work was supported by the Programme for Excellent Talents in Guangxi Higher Education Institutions and the Natural Science Foundation of Guangxi Province of China (No. 0832100).

References

Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA
Chen, Y.-D., Qin, Y.-H., Zhang, L.-Y., Shi, L.-X. & Chen, Z.-N. (2004). Inorg. Chem. 43, 1197-1205.
Huang, T.-H., Jiang, X.-F., Gui, L.-C., Wang, X.-J. & Cen, Z.-M. (2009). Acta Cryst. E65, m1085.
Saravanabharathi, D., Monika, Venugopalan, P. & Samuelson, A. G. (2002). Polyhedron, 21, 2433-2443.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Sivasankar, C., Nethaji, M. & Samuelson, A. G. (2004). Inorg. Chem. Commun. 7, 238-240.
Wang, X.-J., Gui, L.-C., Ni, Q.-L., Liao, Y.-F., Jiang, X.-F., Tang, L.-H., Zhang, Z. & Wu, Q. (2008). CrystEngComm, 10, 1003-1010.

metal-organic compounds

Bis{N,N-bis[(diphenylphosphanyl)methyl]aniline-2P,P'}copper(I) tetrafluoridoborate