Crystallography Open Database

Information card for entry 7200304

7200303 << 7200304 >> 7200305

Preview

Coordinates	7200304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H27 I2 N6
Calculated formula	C75 H27 I1.995 N6
Title of publication	Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network
Authors of publication	Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	811
a	13.3617 ± 0.0002 Å
b	13.3617 ± 0.0002 Å
c	15.8651 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	2453 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1602
Weighted residual factors for all reflections included in the refinement	0.1696
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180334 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/03.	7200304.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200304.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200304.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200304.cif