Crystallography Open Database

Information card for entry 7029467

Preview

Coordinates	7029467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 Cl2 N3 O4 Ru S2
Calculated formula	C21 H25 Cl2 N3 O4 Ru S2
SMILES	[Ru]1(Cl)(Cl)([S](=O)(C)C)([S](=O)(C)C)[N](NC(=O)c2occc2)=C(c2[n]1cccc2)c1ccccc1
Title of publication	An investigation on new ruthenium(ii) hydrazone complexes as anticancer agents and their interaction with biomolecules.
Authors of publication	Alagesan, Mani; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6087 - 6099
a	15.779 ± 0.002 Å
b	12.7157 ± 0.0016 Å
c	14.1337 ± 0.0018 Å
α	90°
β	98.491 ± 0.002°
γ	90°
Cell volume	2804.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0456
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.319
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
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029467.cif
108314	2014-03-30	cif/ Adding structures of 7029466, 7029467 via cif-deposit CGI script.	7029467.cif