Crystallography Open Database

Information card for entry 7230466

Preview

Coordinates	7230466.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	;DySc2N@Ih(7)-C80/Ni(OEP)/2(C6H6);
Chemical name	DySc2N@Ih(7)-C80/Ni(OEP in C2/c
Formula	C125 H53 Dy N5 Ni Sc2
Calculated formula	C125 H53 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	25.19 ± 0.005 Å
b	15.05 ± 0.003 Å
c	39.49 ± 0.008 Å
α	90°
β	95.46 ± 0.03°
γ	90°
Cell volume	14903 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1702
Residual factor for significantly intense reflections	0.1131
Weighted residual factors for significantly intense reflections	0.3181
Weighted residual factors for all reflections included in the refinement	0.3667
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	7230466.cif
207299	2018-04-11	cif/ Adding structures of 7230466, 7230467 via cif-deposit CGI script.	7230466.cif