Crystallography Open Database

Information card for entry 1557826

Preview

Coordinates	1557826.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dy2O@Cs(10528)-C72
Formula	C120 H56 Dy2 N4 Ni O
Calculated formula	C120 H56 Dy2 N4 Ni O
Title of publication	Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle
Authors of publication	Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	18
Pages of publication	4766 - 4772
a	14.3857 ± 0.0007 Å
b	14.7255 ± 0.0006 Å
c	19.1301 ± 0.0009 Å
α	84.837 ± 0.002°
β	88.064 ± 0.002°
γ	61.889 ± 0.002°
Cell volume	3559.7 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	119.98 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	0.1011
Residual factor for significantly intense reflections	0.0953
Weighted residual factors for significantly intense reflections	0.2726
Weighted residual factors for all reflections included in the refinement	0.28
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257392 (current)	2020-10-06	cif/ Updating files of 1557826, 1557827 Original log message: Adding full bibliography for 1557826--1557827.cif.	1557826.cif
252743	2020-06-05	cif/ Updating files of 1557826, 1557827 Original log message: Adding full bibliography for 1557826--1557827.cif.	1557826.cif
250958	2020-04-21	cif/ Adding structures of 1557826, 1557827 via cif-deposit CGI script.	1557826.cif