Crystallography Open Database

Information card for entry 7708254

Preview

Coordinates	7708254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N5 O10 Ru
Calculated formula	C16 H19 N5 O10 Ru
SMILES	[Ru]([n]1cc(C(=O)OCC)ccc1)(O)(N(=O)=O)(N(=O)=O)(N=O)[n]1cccc(C(=O)OCC)c1
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	10.5495 ± 0.0012 Å
b	17.8137 ± 0.0018 Å
c	11.4884 ± 0.0019 Å
α	90°
β	96.879 ± 0.003°
γ	90°
Cell volume	2143.4 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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.	7708254.cif