Crystallography Open Database

Information card for entry 4109086

Preview

Coordinates	4109086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H27 Al Li N
Calculated formula	C12 H27 Al Li N
Title of publication	An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism
Authors of publication	Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1921 - 1930
a	7.912 ± 0.004 Å
b	15.001 ± 0.008 Å
c	36.97 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	4388 ± 4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1985
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
178836 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90.	4109086.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109086.cif
57838	2012-05-22	cif/ Adding structures of 4109086 via cif-deposit CGI script.	4109086.cif