Crystallography Open Database

Information card for entry 1550948

Preview

Coordinates	1550948.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Eu@C2(13)-C80 Ni(OEP)
Chemical name	Eu@C2(13)-C80 Ni(OEP)
Formula	C130.05 H53.66 Eu N4 Ni S0.78
Calculated formula	C130.05 H53.66 Eu1.0002 N4 Ni S0.78
Title of publication	Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer
Authors of publication	Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan
Journal of publication	Chemical Science
Year of publication	2019
a	25.3346 ± 0.0008 Å
b	15.1339 ± 0.0005 Å
c	19.9751 ± 0.0006 Å
α	90°
β	95.659 ± 0.001°
γ	90°
Cell volume	7621.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.6525 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
214802 (current)	2019-04-27	cif/ Adding structures of 1550947, 1550948, 1550949, 1550950 via cif-deposit CGI script.	1550948.cif