Crystallography Open Database

Information card for entry 1558024

Preview

Coordinates	1558024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H53 Dy2 N4 Ni S2
Calculated formula	C126 H53 Dy1.997 N4 Ni S2
Title of publication	Dy<sub>2</sub>@C<sub>79</sub>N: a new member of dimetalloazafullerenes with strong single molecular magnetism.
Authors of publication	Wang, Yuanyuan; Xiong, Jin; Su, Jie; Hu, Ziqi; Ma, Fang; Sun, Rong; Tan, Xueyou; Sun, Hao-Ling; Wang, Bing-Wu; Shi, Zujin; Gao, Song
Journal of publication	Nanoscale
Year of publication	2020
Journal volume	12
Journal issue	20
Pages of publication	11130 - 11135
a	17.7314 ± 0.0002 Å
b	17.0501 ± 0.0002 Å
c	26.7696 ± 0.0004 Å
α	90°
β	106.599 ± 0.001°
γ	90°
Cell volume	7755.79 ± 0.18 Å³
Cell temperature	180 ± 0.11 K
Ambient diffraction temperature	180 ± 0.11 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.1029
Weighted residual factors for significantly intense reflections	0.2171
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
252848 (current)	2020-06-05	cif/ Updating files of 1558024 Original log message: Adding full bibliography for 1558024.cif.	1558024.cif
251836	2020-05-07	cif/ Adding structures of 1558024 via cif-deposit CGI script.	1558024.cif