Crystallography Open Database

Information card for entry 4328619

Preview

Coordinates	4328619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H38 Cd I N6 S4
Calculated formula	C80 H38 Cd I N6 S4
Title of publication	Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}
Authors of publication	Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3420 - 3426
a	16.1224 ± 0.0003 Å
b	16.1224 ± 0.0003 Å
c	21.3629 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5552.9 ± 0.2 Å³
Cell temperature	95 ± 0.1 K
Ambient diffraction temperature	95 ± 0.1 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179389 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/86.	4328619.cif
77613	2013-03-29	cif/ Adding structures of 4328619 via cif-deposit CGI script.	4328619.cif