Crystallography Open Database

Information card for entry 1550947

Preview

Coordinates	1550947.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Eu@C2(5)-C82 Ni(OEP) 2(C6H6)
Chemical name	Eu@C2(5)-C82 Ni(OEP) 2(C6H6)
Formula	C130 H56 Eu N4 Ni
Calculated formula	C130 H56 Eu0.9999 N4 Ni
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	25.236 ± 0.002 Å
b	15.0375 ± 0.0014 Å
c	19.8277 ± 0.0019 Å
α	90°
β	94.385 ± 0.001°
γ	90°
Cell volume	7502.3 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.1018
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.2504
Weighted residual factors for all reflections included in the refinement	0.2663
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	1550947.cif