Crystallography Open Database

Information card for entry 7245481

Preview

Coordinates	7245481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Br6 Er N3
Calculated formula	C60 H66 Br6 Er N3
Title of publication	Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.
Authors of publication	Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander
Journal of publication	CrystEngComm
Year of publication	2022
a	16.6814 ± 0.0008 Å
b	18.4271 ± 0.0009 Å
c	20.884 ± 0.001 Å
α	106.146 ± 0.002°
β	102.283 ± 0.002°
γ	101.556 ± 0.002°
Cell volume	5790.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
277848 (current)	2022-09-15	cif/ Adding structures of 7245481, 7245482, 7245483, 7245484, 7245485 via cif-deposit CGI script.	7245481.cif