Crystallography Open Database

Information card for entry 4133768

Preview

Coordinates	4133768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H53 N4 Ni S2 U2
Calculated formula	C128 H53 N4 Ni S2 U2.0261
Title of publication	Diuranium(IV) Carbide Cluster U<sub>2</sub>C<sub>2</sub> Stabilized Inside Fullerene Cages.
Authors of publication	Zhuang, Jiaxin; Abella, Laura; Sergentu, Dumitru-Claudiu; Yao, Yang-Rong; Jin, Meihe; Yang, Wei; Zhang, Xingxing; Li, Xiaomeng; Zhang, Duo; Zhao, Yiming; Li, Xiaohong; Wang, Shuao; Echegoyen, Luis; Autschbach, Jochen; Chen, Ning
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	51
Pages of publication	20249 - 20260
a	17.598 ± 0.0005 Å
b	16.9502 ± 0.0005 Å
c	26.7945 ± 0.0007 Å
α	90°
β	106.438 ± 0.001°
γ	90°
Cell volume	7665.8 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0655
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.82653 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246552 (current)	2020-01-04	cif/ Updating files of 4133768, 4133769 Original log message: Adding full bibliography for 4133768--4133769.cif.	4133768.cif
245113	2019-12-14	cif/ Adding structures of 4133768 via cif-deposit CGI script.	4133768.cif