Crystallography Open Database

Information card for entry 7062787

Preview

Coordinates	7062787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 F6 N3 P Ru
Calculated formula	C19 H26 F6 N3 P Ru
Title of publication	Ionic liquids containing half-sandwich ruthenium complexes: in situ interconversions via photochemical and thermal ligand exchange
Authors of publication	Mochida, Tomoyuki; Maekawa, Syou; Sumitani, Ryo
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	41
Pages of publication	19096 - 19102
a	9.4336 ± 0.0012 Å
b	21.056 ± 0.003 Å
c	11.5841 ± 0.0014 Å
α	90°
β	104.669 ± 0.002°
γ	90°
Cell volume	2226 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0569
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287369 (current)	2023-11-06	cif/ Updating files of 7062787 Original log message: Adding full bibliography for 7062787.cif.	7062787.cif
286858	2023-10-10	cif/ Adding structures of 7062787 via cif-deposit CGI script.	7062787.cif