Crystallography Open Database

Information card for entry 7706455

Preview

Coordinates	7706455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 F H12 N5 O5 Ru
Calculated formula	Cl2 F H12 N5 O5 Ru
SMILES	[Ru](F)(N=O)([NH3])([NH3])([NH3])[NH3].Cl(=O)(=O)(=O)[O-].[Cl-]
Title of publication	Remarkable thermal stability of light-induced Ru-ON linkage isomers in mixed salts of a ruthenium amine complex with a <i>trans</i>-ON-Ru-F coordinate.
Authors of publication	Mikhailov, Artem A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Pishchur, Denis P.; Kostin, Gennadiy A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	8
Pages of publication	2864 - 2871
a	11.4314 ± 0.0017 Å
b	7.4565 ± 0.0011 Å
c	12.5251 ± 0.0017 Å
α	90°
β	101.184 ± 0.004°
γ	90°
Cell volume	1047.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0211
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0433
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
262609 (current)	2021-03-05	cif/ Updating files of 7706454, 7706455 Original log message: Adding full bibliography for 7706454--7706455.cif.	7706455.cif
261127	2021-01-22	cif/ Adding structures of 7706454, 7706455 via cif-deposit CGI script.	7706455.cif