Crystallography Open Database

Information card for entry 7116317

Preview

Coordinates	7116317.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(naphtylpyridine)golddichloride
Formula	C15 H10 Au Cl2 N
Calculated formula	C15 H10 Au Cl2 N
SMILES	c1cccc2c3cccc4c3c([Au]([n]12)(Cl)Cl)ccc4
Title of publication	Metal controlled regioselectivity in the cyclometallation of 2-(1-naphthyl)-pyridine
Authors of publication	Mikhail Kondrashov; Sudarkodi Raman; Ola F. Wendt
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	911
a	8.4554 ± 0.0002 Å
b	8.8766 ± 0.0002 Å
c	10.4398 ± 0.0003 Å
α	70.37 ± 0.002°
β	89.106 ± 0.002°
γ	65.222 ± 0.003°
Cell volume	662.86 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180277 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63.	7116317.cif
129541	2015-01-12	cif/ Adding structures of 7116317, 7116318 via cif-deposit CGI script.	7116317.cif