Crystallography Open Database

Information card for entry 4110250

Preview

Coordinates	4110250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Cl11 Sb
Calculated formula	C26 H32 Cl12 Sb
Title of publication	Structural Studies on the Radical Cations of Benzene, Naphthalene, Biphenylene, and Anthracene Fully Annelated with Bicyclo[2.2.2]octene Frameworks [J.Am. Chem.Soc.2000,122, 10007-10016].
Authors of publication	Akira Matsuura; Tohru Nishinaga; Koichi Komatsu
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	14830 - 14830
a	18.344 ± 0.004 Å
b	12.128 ± 0.002 Å
c	15.01 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3339.4 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178873 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02.	4110250.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110250.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110250.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110250.cif