Crystallography Open Database

Information card for entry 4328530

Preview

Coordinates	4328530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H29 Cl2 O6 Ru S4
Calculated formula	C20.5 H29 Cl2 O6 Ru S4
SMILES	C(Cl)Cl.c12ccccc1C(/C=C/c1sccc1C)=[O][Ru](O2)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)Cl.O
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	23.2656 ± 0.0017 Å
b	11.785 ± 0.0005 Å
c	23.5597 ± 0.0018 Å
α	90°
β	120.357 ± 0.01°
γ	90°
Cell volume	5574 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0974
Weighted residual factors for significantly intense reflections	0.2509
Weighted residual factors for all reflections included in the refinement	0.2546
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
264242 (current)	2021-04-16	cif/4 Fixing some Z values and formulae	4328530.cif
179388	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.	4328530.cif
77508	2013-03-28	cif/ Adding structures of 4328530 via cif-deposit CGI script.	4328530.cif