Crystallography Open Database

Information card for entry 7248595

Preview

Coordinates	7248595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl5 K2 N O Ru
Calculated formula	Cl5 K2 N O Ru
Title of publication	Local force constants and charges of the nitrosyl ligand in photoinduced NO linkage isomers in a prototypical ruthenium nitrosyl complex
Authors of publication	Mikhailov, Artem A.; Gansmuller, Axel; Konieczny, Krzysztof; Pillet, Sebastien; Kostin, Gennadiy; Klüfers, Peter; Woike, Theo; Schaniel, Dominik
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2024
a	13.126 ± 0.0008 Å
b	10.3284 ± 0.0006 Å
c	6.8375 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	926.96 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0161
Residual factor for significantly intense reflections	0.015
Weighted residual factors for significantly intense reflections	0.0289
Weighted residual factors for all reflections included in the refinement	0.0292
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7248595.html