Crystallography Open Database

Information card for entry 1560272

Preview

Coordinates	1560272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cl6 N8 O2 Ru2
Calculated formula	C10 H8 Cl6 N8 O2 Ru2
SMILES	C1NC(=O)c2c3[N]=1[Ru]145([Cl][Ru]1([n]3c[nH]2)(Cl)(Cl)([N]1=CNC(=O)c2c1[n]4c[nH]2)[Cl]5)(Cl)Cl
Title of publication	Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System.
Authors of publication	Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José
Journal of publication	Biosensors
Year of publication	2021
Journal volume	11
Journal issue	1
Pages of publication	19
a	7.1611 ± 0.0004 Å
b	10.7203 ± 0.0006 Å
c	11.6662 ± 0.0007 Å
α	90°
β	90.805 ± 0.002°
γ	90°
Cell volume	895.52 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1128
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1811
Weighted residual factors for all reflections included in the refinement	0.2239
Goodness-of-fit parameter for all reflections included in the refinement	1.17
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
261773 (current)	2021-02-05	cif/ Adding structures of 1560272 via cif-deposit CGI script.	1560272.cif