Crystallography Open Database

Information card for entry 4109085

Preview

Coordinates	4109085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46 Al Li N2 O
Calculated formula	C25 H46 Al Li N2 O
SMILES	[Al]1([CH3][Li]([O]=C(N(C(C)C)C(C)C)c2ccccc2)[N]21C(C)(C)CCCC2(C)C)(C)C
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	38.469 ± 0.008 Å
b	9.4325 ± 0.0019 Å
c	16.561 ± 0.003 Å
α	90°
β	114.18 ± 0.03°
γ	90°
Cell volume	5482 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4109085.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109085.cif
57837	2012-05-22	cif/ Adding structures of 4109085 via cif-deposit CGI script.	4109085.cif