Redetermination of chlorido(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)gold(I) dichloride trihydrate at 173 K

Friedrich, H.B.; Maguire, G.E.M.; Martincigh, B.S.; McKay, M.G.; Pietersen, L.K.

doi:10.1107/S1600536808027943

Volume 64
Part 10
Page m1240
October 2008

Received 7 July 2008
Accepted 1 September 2008
Online 6 September 2008

Key indicators
Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.007 Å
R = 0.033
wR = 0.062
Data-to-parameter ratio = 19.4
Details

ADDENDA AND ERRATA

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Redetermination of chlorido(2,2':6',2''-terpyridine-³N,N',N'')gold(I) dichloride trihydrate at 173 K

Holger B. Friedrich,^a Glenn E. M. Maguire,^a ^* Bice S. Martincigh,^a Michael G. McKay ^a and Lauren K. Pietersen ^a

^aSchool of Chemistry, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban 4000, South Africa
Correspondence e-mail: maguireg@ukzn.ac.za

The redetermined structure of the title compound, [AuCl(C₁₅H₁₁N₃)]Cl₂·3H₂O, at 173 (2) K is reported. The structure displays O-HCl and O-HO hydrogen bonding. The distance of one of the chloride ions from the gold(I) atom [5.047 (1) Å] differs from that determined previously.

Related literature

For the previous determination of the crystal structure of the title compound, see: Hollis & Lippard (1983).

Experimental

Crystal data

[AuCl(C₁₅H₁₁N₃)]Cl₂·3H₂O
M_r = 590.63
Monoclinic, P 2₁ /c
a = 8.4486 (1) Å
b = 6.9766 (1) Å
c = 31.1581 (6) Å
= 94.392 (1)°
V = 1831.14 (5) Å³
Z = 4
Mo K radiation
= 8.49 mm^-1
T = 173 (2) K
0.41 × 0.31 × 0.30 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: integration [Face-indexed absorption corrections carried out with XPREP (Bruker, 2005)] T_min = 0.128, T_max = 0.185
13022 measured reflections
4386 independent reflections
4157 reflections with I > 2(I)
R_int = 0.034

Refinement

R[F² > 2(F²)] = 0.033
wR(F²) = 0.061
S = 1.37
4386 reflections
226 parameters
H-atom parameters constrained
_max = 1.32 e Å^-3
_min = -2.23 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1ACl2ⁱ	0.84	2.32	3.140 (4)	167
O1W-H1BCl3	0.84	2.42	3.229 (4)	161
O2W-H2ACl2	0.84	2.31	3.141 (4)	172
O2W-H2BO3W	0.84	1.94	2.768 (5)	169
O3W-H3ACl3ⁱⁱ	0.84	2.31	3.133 (4)	167
O3W-H3BCl3ⁱⁱⁱ	0.84	2.36	3.194 (4)	171
Symmetry codes: (i) x, y-1, z; (ii) x, y+1, z; (iii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-NT (Bruker, 2005); data reduction: SAINT-NT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: EZ2137 ).

Acknowledgements

We thank Dr Manuel Fernandes of the Jan Boeyens Structural Chemistry Laboratory at the University of the Witwatersrand for his assistance in the acquisition and solution of the crystallographic data.

References

Bruker (2005). APEX2 and SAINT-NT (includes XPREP and SADABS). Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Hollis, L. S. & Lippard, S. J. (1983). J. Am. Chem. Soc. 105, 4293-4299.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

Redetermination of chlorido(2,2':6',2''-terpyridine-3N,N',N'')gold(I) dichloride trihydrate at 173 K