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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 [sigma](C-C) = 0.003 Å
R = 0.035
wR = 0.085
Data-to-parameter ratio = 18.4
Details
Open access

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

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-H...F and C-H...O 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[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.]); Steyl (2009[Steyl, G. (2009). Acta Cryst. E65, m272.]); Saravanabharathi et al. (2002[Saravanabharathi, D., Monika, Venugopalan, P. & Samuelson, A. G. (2002). Polyhedron, 21, 2433-2443.]); Dyason et al. (1986[Dyason, J. C., Engelhardt, L. M., Healy, P. C., Klich, H. L. & White, A. H. (1986). Aust. J. Chem. 39, 2003-2011.]); Matthew et al. (1971[Matthew, M., Palenik, G. J. & Carty, A. J. (1971). Can. J. Chem. 49, 4119-4121.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(NO3)(C18H12F3P)3]

  • Mr = 1074.29

  • Triclinic, [P \overline 1]

  • a = 9.3861 (3) Å

  • b = 12.2552 (4) Å

  • c = 21.4820 (7) Å

  • [alpha] = 85.274 (2)°

  • [beta] = 86.843 (1)°

  • [gamma] = 74.954 (1)°

  • V = 2376.76 (13) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 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[Bruker (2004). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin. USA.]) Tmin = 0.792, Tmax = 0.950

  • 28458 measured reflections

  • 11760 independent reflections

  • 9439 reflections with I > 2[sigma](I)

  • Rint = 0.030

Refinement
  • R[F2 > 2[sigma](F2)] = 0.035

  • wR(F2) = 0.085

  • S = 1.05

  • 11760 reflections

  • 640 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.40 e Å-3

  • [Delta][rho]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-H...A D-H H...A D...A D-H...A
C122-H122...O2 0.95 2.30 3.224 (2) 163
C336-H336...O1 0.95 2.17 3.037 (2) 151
C126-H126...F22i 0.95 2.40 3.281 (2) 154
C136-H136...O3ii 0.95 2.53 3.223 (2) 130
C215-H215...F13iii 0.95 2.51 3.301 (2) 141
C315-H315...F33iv 0.95 2.50 3.403 (2) 159
C332-H332...F32v 0.95 2.48 3.131 (2) 125
C326-H326...F33vi 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[Bruker (2005). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2004[Bruker (2004). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin. USA.]); data reduction: SAINT-Plus and XPREP (Bruker, 2004[Bruker (2004). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin. USA.]); 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: DIAMOND (Brandenburg & Putz, 2005[Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).


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.  [CrossRef] [ChemPort]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
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.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Steyl, G. (2009). Acta Cryst. E65, m272.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1396-m1397   [ doi:10.1107/S1600536812043346 ]

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