Crystallography Open Database

Information card for entry 1543494

Preview

Coordinates	1543494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C194 H92 Cl4 Li2 N8 Ni2
Calculated formula	C193.996 H91.9968 Cl3.992 Li2 N8 Ni2
Title of publication	Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride
Authors of publication	Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	9
Pages of publication	5770
a	24.505 ± 0.001 Å
b	14.95 ± 0.002 Å
c	17.435 ± 0.001 Å
α	90°
β	108.799 ± 0.003°
γ	90°
Cell volume	6046.6 ± 0.9 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 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	0.0644
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.41286 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186337 (current)	2016-09-10	cif/ Updating files of 1543493, 1543494 Original log message: Adding full bibliography for 1543493--1543494.cif.	1543494.cif
183810	2016-06-21	cif/ Adding structures of 1543493, 1543494 via cif-deposit CGI script.	1543494.cif