Crystallography Open Database

Information card for entry 7708255

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Coordinates	7708255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 N5 O10 Ru
Calculated formula	C14 H15 N5 O10 Ru
SMILES	[Ru](O)(N(=O)=O)([n]1cc(C(=O)OC)ccc1)(N=O)([n]1cccc(c1)C(=O)OC)N(=O)=O
Title of publication	Nitric oxide release and related light-induced cytotoxicity of ruthenium nitrosyls with coordinated nicotinate derivatives.
Authors of publication	Yakovlev, Ivan A.; Mikhailov, Artem A.; Eremina, Julia A.; Klyushova, Lyubov S.; Nadolinny, Vladimir A.; Kostin, Gennadiy A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	10.3004 ± 0.0009 Å
b	16.2916 ± 0.0012 Å
c	11.4935 ± 0.0009 Å
α	90°
β	94.844 ± 0.003°
γ	90°
Cell volume	1921.8 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.049
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
269072 (current)	2021-09-10	cif/ Adding structures of 7708254, 7708255, 7708256 via cif-deposit CGI script.	7708255.cif