Crystallography Open Database

Information card for entry 1508068

Preview

Coordinates	1508068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 Cl6 Li Sb
Calculated formula	C60 Cl6 Li Sb
Title of publication	A layered ionic crystal of polar Li@C(60) superatoms.
Authors of publication	Aoyagi, Shinobu; Nishibori, Eiji; Sawa, Hiroshi; Sugimoto, Kunihisa; Takata, Masaki; Miyata, Yasumitsu; Kitaura, Ryo; Shinohara, Hisanori; Okada, Hiroshi; Sakai, Takeshi; Ono, Yoshihiro; Kawachi, Kazuhiko; Yokoo, Kuniyoshi; Ono, Shoichi; Omote, Kenji; Kasama, Yasuhiko; Ishikawa, Shinsuke; Komuro, Takashi; Tobita, Hiromi
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	8
Pages of publication	678 - 683
a	12.297 ± 0.001 Å
b	9.9506 ± 0.001 Å
c	29.05 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3554.6 ± 0.6 Å³
Cell temperature	370 K
Ambient diffraction temperature	370 K
Number of distinct elements	4
Space group number	38
Hermann-Mauguin space group symbol	A m m 2
Hall space group symbol	A 2 -2
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.3525 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508068.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508068.cif
62614	2012-07-09	cif/ Adding structures of 1508068 via cif-deposit CGI script.	1508068.cif