Crystallography Open Database

Information card for entry 4335443

Preview

Coordinates	4335443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Au Cl2 N4 O3
Calculated formula	C30 H27 Au Cl2 N4 O3
SMILES	[Au]1(Cl)(Cl)[n]2cc3ccccc3cc2C(=O)N1c1ccccc1NC(=O)c1ncc2c(c1)cccc2.O(CC)CC
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	15.99 ± 0.005 Å
b	12.445 ± 0.005 Å
c	15.602 ± 0.005 Å
α	90°
β	104.487 ± 0.005°
γ	90°
Cell volume	3006 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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.	4335443.cif
101372	2014-02-13	cif/ Adding structures of 4335443 via cif-deposit CGI script.	4335443.cif