Crystallography Open Database

Information card for entry 7230467

Preview

Coordinates	7230467.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	DySc2N@Ih(7)-C80/Ni(OEP)/1.28Toluene/0.72Benzene
Chemical name	DySc2N@Ih(7)-C80/Ni(OEP)-P-1
Formula	C129.29 H58.28 Dy N5 Ni Sc2
Calculated formula	C129.284 H58.284 Dy N5 Ni Sc2
Title of publication	Magnetization relaxation in the single-ion magnet DySc<sub>2</sub>N@C<sub>80</sub>: quantum tunneling, magnetic dilution, and unconventional temperature dependence.
Authors of publication	Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	17
Pages of publication	11656 - 11672
a	14.57 ± 0.003 Å
b	14.68 ± 0.003 Å
c	20.28 ± 0.004 Å
α	83.73 ± 0.03°
β	84.16 ± 0.03°
γ	60.6 ± 0.03°
Cell volume	3750.6 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1579
Residual factor for significantly intense reflections	0.1548
Weighted residual factors for significantly intense reflections	0.4272
Weighted residual factors for all reflections included in the refinement	0.4295
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.896 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230919 (current)	2019-11-17	cif/ Updating files of 7230466, 7230467 Original log message: Adding full bibliography for 7230466--7230467.cif.	7230467.cif
207299	2018-04-11	cif/ Adding structures of 7230466, 7230467 via cif-deposit CGI script.	7230467.cif