Crystallography Open Database

Information card for entry 7708576

Preview

Coordinates	7708576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 Cl2 N2 O Ru S
Calculated formula	C23 H26 Cl2 N2 O Ru S
SMILES	[Ru]12345(Cl)(Cl)([S]=C(Nc6cccc7c6cccc7)NC(=O)C)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C
Title of publication	Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies
Authors of publication	Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.
Journal of publication	Dalton Transactions
Year of publication	2021
a	9.1825 ± 0.0004 Å
b	12.6851 ± 0.0005 Å
c	19.97 ± 0.0008 Å
α	90°
β	92.235 ± 0.002°
γ	90°
Cell volume	2324.35 ± 0.17 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0565
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.31
Diffraction radiation probe	x-ray
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
269973 (current)	2021-10-16	cif/ Adding structures of 7708570, 7708571, 7708572, 7708573, 7708574, 7708575, 7708576, 7708577 via cif-deposit CGI script.	7708576.cif