Crystallography Open Database

Information card for entry 4328531

Preview

Coordinates	4328531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 Cl O5 Ru S4
Calculated formula	C19 H27 Cl O5 Ru S4
SMILES	[Ru]1([S](C)(=O)C)([S](=O)(C)C)([S](=O)(C)C)(Cl)[O]=C(c2c(O1)cccc2)/C=C/c1sccc1
Title of publication	Synthesis and Characterization of Ru(II)-DMSO-Cl-Chalcone Complexes: DNA Binding, Nuclease, and Topoisomerase II Inhibitory Activity
Authors of publication	Ruchi Gaur; Lallan Mishra
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3059 - 3070
a	8.2466 ± 0.0004 Å
b	12.3466 ± 0.0007 Å
c	12.9838 ± 0.0007 Å
α	106.59 ± 0.005°
β	101.295 ± 0.004°
γ	95.912 ± 0.004°
Cell volume	1224.52 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	0.783
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
179388 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/85.	4328531.cif
77509	2013-03-28	cif/ Adding structures of 4328531 via cif-deposit CGI script.	4328531.cif