Crystallography Open Database

Information card for entry 7708569

Preview

Coordinates	7708569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl2 N3 O4 Ru
Calculated formula	C18 H15 Cl2 N3 O4 Ru
SMILES	[Ru]1(C#[O])(Cl)(Cl)(C#[O])[NH](Cc2[n]1c1ccccc1[nH]2)c1cc(ccc1)C(=O)OC
Title of publication	Light-activated cytotoxicity of dicarbonyl Ru(ii) complexes with a benzimidazole coligand towards breast cancer
Authors of publication	Ibrahim, Nourhan M.; Khaled, Rabaa M.; Ragheb, Mohamed A.; Radacki, Krzysztof; Farag, Ahmad M.; Mansour, Ahmed M.
Journal of publication	Dalton Transactions
Year of publication	2021
a	7.86247 ± 0.00009 Å
b	11.42684 ± 0.00013 Å
c	21.9614 ± 0.0002 Å
α	90°
β	92.9222 ± 0.001°
γ	90°
Cell volume	1970.52 ± 0.04 Å³
Cell temperature	100.03 ± 0.17 K
Ambient diffraction temperature	100.03 ± 0.17 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269961 (current)	2021-10-15	cif/ Adding structures of 7708568, 7708569 via cif-deposit CGI script.	7708569.cif