Crystallography Open Database

Information card for entry 1551410

Preview

Coordinates	1551410.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	;DyEr2N@Ih(7)-C80/NiOEP/2C6H6;
Formula	C128 H56 Dy Er2 Ho0 N5 Ni
Calculated formula	C128 H56 Dy Er2 N5 Ni
Title of publication	Mixed dysprosium-lanthanide nitride clusterfullerenes DyM<sub>2</sub>N@C<sub>80</sub>-I<sub>h</sub> and Dy<sub>2</sub>MN@C<sub>80</sub>-I<sub>h</sub> (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom.
Authors of publication	Schlesier, C.; Liu, F.; Dubrovin, V.; Spree, L.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.
Journal of publication	Nanoscale
Year of publication	2019
Journal volume	11
Journal issue	27
Pages of publication	13139 - 13153
a	25.17 ± 0.005 Å
b	15.03 ± 0.003 Å
c	39.41 ± 0.008 Å
α	90°
β	95.16 ± 0.03°
γ	90°
Cell volume	14849 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.144
Residual factor for significantly intense reflections	0.1104
Weighted residual factors for significantly intense reflections	0.2608
Weighted residual factors for all reflections included in the refinement	0.2825
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.89429 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224658 (current)	2019-11-08	cif/ Updating files of 1551410, 1551411 Original log message: Adding full bibliography for 1551410--1551411.cif.	1551410.cif
215946	2019-06-14	cif/ Adding structures of 1551410, 1551411 via cif-deposit CGI script.	1551410.cif