Crystallography Open Database

Information card for entry 1512252

Preview

Coordinates	1512252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Al Li
Calculated formula	C4 H12 Al Li
Title of publication	Advances in Structural Studies on Alkylaluminum Species in the Solid State via Challenging27Al‒13C NMR Spectroscopy and X-ray Diffraction
Authors of publication	Pourpoint, Frédérique; Morin, Yohann; Gauvin, Régis M.; Trébosc, Julien; Capet, Frédéric; Lafon, Olivier; Amoureux, Jean-Paul
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2013
Journal volume	117
Journal issue	35
Pages of publication	18091
a	6.2978 ± 0.0002 Å
b	11.6066 ± 0.0003 Å
c	9.6537 ± 0.0003 Å
α	90°
β	95.748 ± 0.001°
γ	90°
Cell volume	702.1 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512252.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	1512252.cif
89034	2013-10-09	cif/ Adding structures of 1512252 via cif-deposit CGI script.	1512252.cif