(IUCr) Bis(pyridine-[kappa]N)bis(triphenylphosphine-[kappa]P)copper(I) tetrafluoridoborate

Volume 64
Part 5
Page m607
May 2008

Received 26 March 2008
Accepted 27 March 2008
Online 2 April 2008

Key indicators
Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.010 Å
R = 0.057
wR = 0.181
Data-to-parameter ratio = 14.6
Details

Bis(pyridine-N)bis(triphenylphosphine-P)copper(I) tetrafluoridoborate

Peter C. Healy ^a ^*

^aSchool of Biomolecular and Physical Sciences, Griffith University, Nathan, Brisbane 4111, Australia
Correspondence e-mail: p.healy@griffith.edu.au

The title compound, [Cu(C₅H₅N)₂(C₁₈H₁₅P)₂]BF₄, crystallizes as discrete [(PPh₃)₂(py)₂Cu]⁺ cations and [BF₄]^- anions and is isostructural with the analogous perchlorate salt. The anion is located in close proximity to the pyridine ligands with weak C-HF interactions apparent. The P₂CuN₂ coordination geometry is pseudo-tetrahedral, with P-Cu-P and N-Cu-N angles of 116.02 (6) and 101.5 (2)°, respectively.

Related literature

For background literature on copper(I)-phosphine adducts, see: Hanna et al. (1998, 2005). For isostructural [(PPh₃)₂(py)₂Cu][ClO₄], see: Engelhardt et al. (1985)

Experimental

Crystal data

[Cu(C₅H₅N)₂(C₁₈H₁₅P)₂]BF₄
M_r = 833.10
Triclinic, $[P \overline 1]$
a = 10.890 (5) Å
b = 13.488 (6) Å
c = 15.547 (6) Å
= 84.97 (3)°
= 109.59 (3)°
= 101.93 (3)°
V = 2104.5 (16) Å³
Z = 2
Mo K radiation
= 0.65 mm^-1
T = 295 (2) K
0.50 × 0.30 × 0.15 mm

Data collection

Rigaku AFC-7R diffractometer
Absorption correction: scan (North et al., 1968) T_min = 0.738, T_max = 0.909
8222 measured reflections
7393 independent reflections
4745 reflections with I > 2(I)
R_int = 0.035
3 standard reflections every 150 reflections intensity decay: 0.6%

Refinement

R[F² > 2(F²)] = 0.057
wR(F²) = 0.180
S = 1.03
7393 reflections
505 parameters
H-atom parameters constrained
_max = 0.86 e Å^-3
_min = -0.63 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Cu1-P1	2.2712 (17)
Cu1-P2	2.2955 (16)
Cu1-N1	2.091 (4)
Cu1-N2	2.113 (5)

P1-Cu1-P2	116.02 (6)
P1-Cu1-N1	112.68 (12)
P1-Cu1-N2	113.03 (13)
P2-Cu1-N1	109.04 (12)
P2-Cu1-N2	103.22 (12)
N1-Cu1-N2	101.51 (17)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C11-H11F2	0.95	2.43	3.157 (12)	133
C22-H22F1ⁱ	0.95	2.53	3.421 (11)	156
Symmetry code: (i) -x+1, -y+1, -z.

Data collection: MSC/AFC7 Diffractometer Control for Windows (Molecular Structure Corporation, 1999 $[Molecular Structure Corporation (1999). MSC/AFC7 Diffractometer Control for Windows. MSC, The Woodlands, Texas, USA.]$ ); cell refinement: MSC/AFC7 Diffractometer Control for Windows; data reduction: TEXSAN for Windows (Molecular Structure Corporation, 2001); program(s) used to solve structure: TEXSAN for Windows; program(s) used to refine structure: TEXSAN for Windows and SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: TEXSAN for Windows and PLATON (Spek, 2003).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2437 ).

Acknowledgements

Financial support of this work by the Eskitis Institute for Cell and Molecular Therapies, Griffith University is acknowledged.

References

Engelhardt, L. M., Pakawatchai, C., White, A. H. & Healy, P. C. (1985). J. Chem. Soc. Dalton Trans. pp. 125-133.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Hanna, J. V., Boyd, S. E., Healy, P. C., Bowmaker, G. A., Skelton, B. W. & White, A. H. (2005). Dalton Trans. pp. 2547-2556.
Hanna, J. V., Hart, R. D., Healy, P. C., Skelton, B. W. & White, A. H. (1998). J. Chem. Soc. Dalton Trans. pp. 2321-2325.
Molecular Structure Corporation (1999). MSC/AFC7 Diffractometer Control for Windows. MSC, The Woodlands, Texas, USA.
Molecular Structure Corporation. (2001). TEXSAN for Windows. MSC, The Woodlands, Texas, USA.
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.

metal-organic compounds