Crystallography Open Database

Information card for entry 1574731

Preview

Coordinates	1574731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cl2 F15 N3 Ru
Calculated formula	C22 H16 Cl2 F15 N3 Ru
Title of publication	Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand
Authors of publication	Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	26
Pages of publication	11949 - 11953
a	11.6437 ± 0.001 Å
b	11.1515 ± 0.0009 Å
c	12.204 ± 0.0011 Å
α	90°
β	116.484 ± 0.003°
γ	90°
Cell volume	1418.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1046
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
300562 (current)	2025-07-06	cif/ Updating files of 1574729, 1574730, 1574731 Original log message: Adding full bibliography for 1574729--1574731.cif.	1574731.cif
299826	2025-05-28	cif/ Adding structures of 1574729, 1574730, 1574731 via cif-deposit CGI script.	1574731.cif