Crystallography Open Database

Information card for entry 7245484

Preview

Coordinates	7245484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H27 Er F30 O6
Calculated formula	C51 H27 Er F30 O6
SMILES	[Er](OC(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)([O]1CCCC1)(OC(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)([O]1CCCC1)(OC(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[O]1CCCC1
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	12.326 ± 0.004 Å
b	19.924 ± 0.007 Å
c	22.015 ± 0.008 Å
α	79.645 ± 0.008°
β	76.492 ± 0.008°
γ	89.899 ± 0.008°
Cell volume	5167 ± 3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1632
Residual factor for significantly intense reflections	0.1258
Weighted residual factors for significantly intense reflections	0.3244
Weighted residual factors for all reflections included in the refinement	0.3648
Goodness-of-fit parameter for all reflections included in the refinement	1.258
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
277848 (current)	2022-09-15	cif/ Adding structures of 7245481, 7245482, 7245483, 7245484, 7245485 via cif-deposit CGI script.	7245484.cif