(Nitrato-κO)tris­[tris­(4-fluoro­phen­yl)phosphane-κP]copper(I)

Hill, T.N.; Roodt, A.

doi:10.1107/S1600536812043346

Volume 68
Part 11
Pages m1396-m1397
November 2012

Received 27 September 2012
Accepted 18 October 2012
Online 24 October 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R = 0.035
wR = 0.085
Data-to-parameter ratio = 18.4
Details

(Nitrato-O)tris[tris(4-fluorophenyl)phosphane-P]copper(I)

Tania N. Hill ^a ^* and Andreas Roodt ^a

^aDepartment of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, South Africa
Correspondence e-mail: tania.hill@gmail.com

In the title complex, [Cu(NO₃)(C₁₈H₁₂F₃P)₃], the ligating atoms define a distorted tetrahedon with the three tris(4-fluorophenyl)phosphane ligands in the basal positions and the nitrate ligand in the axial position. The intramolecular [pi] - [pi] interaction [centroid-centroid distance = 3.6113 (11) Å] between two of the 4-fluorophenyl groups is complemented by both C-HF and C-HO interactions with distances in the range 2.51-2.60 Å, resulting in a tight head-to-tail packing.

Related literature

For related complexes, see: Hanna et al. (2005); Steyl (2009); Saravanabharathi et al. (2002); Dyason et al. (1986); Matthew et al. (1971).

Experimental

Crystal data

[Cu(NO₃)(C₁₈H₁₂F₃P)₃]
M_r = 1074.29
Triclinic, $[P \overline 1]$
a = 9.3861 (3) Å
b = 12.2552 (4) Å
c = 21.4820 (7) Å
= 85.274 (2)°
= 86.843 (1)°
= 74.954 (1)°
V = 2376.76 (13) Å³
Z = 2
Mo K radiation
= 0.64 mm^-1
T = 100 K
0.38 × 0.11 × 0.08 mm

Data collection

Bruker X8 APEXII 4K KappaCCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2004) T_min = 0.792, T_max = 0.950
28458 measured reflections
11760 independent reflections
9439 reflections with I > 2(I)
R_int = 0.030

Refinement

R[F² > 2(F²)] = 0.035
wR(F²) = 0.085
S = 1.05
11760 reflections
640 parameters
H-atom parameters constrained
_max = 0.40 e Å^-3
_min = -0.41 e Å^-3

Table 1
Selected bond lengths (Å)

O1-Cu1	2.1182 (12)
P1-Cu1	2.2901 (5)
P2-Cu1	2.2840 (5)
P3-Cu1	2.3256 (5)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C122-H122O2	0.95	2.30	3.224 (2)	163
C336-H336O1	0.95	2.17	3.037 (2)	151
C126-H126F22ⁱ	0.95	2.40	3.281 (2)	154
C136-H136O3ⁱⁱ	0.95	2.53	3.223 (2)	130
C215-H215F13ⁱⁱⁱ	0.95	2.51	3.301 (2)	141
C315-H315F33^iv	0.95	2.50	3.403 (2)	159
C332-H332F32^v	0.95	2.48	3.131 (2)	125
C326-H326F33^vi	0.95	2.36	3.150 (2)	141
Symmetry codes: (i) x-1, y+1, z; (ii) x-1, y, z; (iii) -x+1, -y+1, -z+1; (iv) x, y-1, z; (v) -x+1, -y+2, -z; (vi) -x+2, -y+2, -z.

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus and XPREP (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: MW2090 ).

Acknowledgements

Financial assistance from the University of the Free State is gratefully acknowledged. We also express our gratitude towards SASOL and the South African National Research Foundation (SA-NRF/THRIP) for financial support of this project. Part of this material is based on work supported by the SA-NRF/THRIP under grant No. GUN 2068915. Opinions, findings, conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the SA-NRF.

References

Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2004). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin. USA.
Bruker (2005). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Dyason, J. C., Engelhardt, L. M., Healy, P. C., Klich, H. L. & White, A. H. (1986). Aust. J. Chem. 39, 2003-2011.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.
Hanna, J. V., Boyd, S. E., Healy, P. C., Bowmaker, G. A., Skelton, B. W. & White, A. H. (2005). J. Chem. Soc. Dalton Trans. pp. 2547-2556.
Matthew, M., Palenik, G. J. & Carty, A. J. (1971). Can. J. Chem. 49, 4119-4121.
Saravanabharathi, D., Monika, Venugopalan, P. & Samuelson, A. G. (2002). Polyhedron, 21, 2433-2443.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Steyl, G. (2009). Acta Cryst. E65, m272.

metal-organic compounds