Crystallography Open Database

Information card for entry 4328617

Preview

Coordinates	4328617.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	16.2447 ± 0.0004 Å
b	16.2447 ± 0.0004 Å
c	21.5187 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5678.6 ± 0.3 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 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	0.078
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4328617.cif
77611	2013-03-29	cif/ Adding structures of 4328617 via cif-deposit CGI script.	4328617.cif