Crystallography Open Database

Information card for entry 4110132

Preview

Coordinates	4110132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 Li2 N4
Calculated formula	C26 H42 Li2 N4
Title of publication	Gallepins. Neutral Gallium Analogues of the Tropylium Ion: Synthesis, Structure, and Aromaticity
Authors of publication	Brandon Quillian; Yuzhong Wang; Pingrong Wei; Chaitanya S. Wannere; Paul V. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	13380 - 13381
a	9.628 ± 0.003 Å
b	12.277 ± 0.003 Å
c	12.009 ± 0.003 Å
α	90°
β	92.147 ± 0.004°
γ	90°
Cell volume	1418.5 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.128
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.2043
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178872 (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 4/11/01.	4110132.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110132.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.	4110132.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	4110132.cif