Crystallography Open Database

Information card for entry 4335441

Preview

Coordinates	4335441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Au Cl2 N4 O2
Calculated formula	C15 H15 Au Cl2 N4 O2
SMILES	[Au]1(Cl)(Cl)[n]2ccccc2C(=O)N1CCCNC(=O)c1ncccc1
Title of publication	Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors
Authors of publication	Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7889 - 7906
a	11.188 ± 0.005 Å
b	10.192 ± 0.005 Å
c	15.132 ± 0.005 Å
α	90°
β	93.35 ± 0.005°
γ	90°
Cell volume	1722.5 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
179457 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/54.	4335441.cif
101370	2014-02-13	cif/ Adding structures of 4335441 via cif-deposit CGI script.	4335441.cif