Crystallography Open Database

Information card for entry 7708571

Preview

Coordinates	7708571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 Cl2 N2 O Ru S
Calculated formula	C24 H34 Cl2 N2 O Ru S
SMILES	[Ru]12345(Cl)(Cl)([S]=C(Nc6ccccc6)NC(=O)CCCCCC)[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	9.3887 ± 0.0014 Å
b	10.7387 ± 0.0015 Å
c	13.0579 ± 0.0019 Å
α	106.287 ± 0.004°
β	94.363 ± 0.005°
γ	100.568 ± 0.004°
Cell volume	1230.9 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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.	7708571.cif