Crystallography Open Database

Information card for entry 7029409

Preview

Coordinates	7029409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Al Li O4
Calculated formula	C12 H28 Al Li O4
Title of publication	Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents.
Authors of publication	Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	15
Pages of publication	5785 - 5792
a	15.7387 ± 0.0004 Å
b	11.7343 ± 0.0003 Å
c	15.7462 ± 0.0003 Å
α	90°
β	112.603 ± 0.002°
γ	90°
Cell volume	2684.68 ± 0.12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.1099
Weighted residual factors for significantly intense reflections	0.3226
Weighted residual factors for all reflections included in the refinement	0.3309
Goodness-of-fit parameter for all reflections included in the refinement	1.742
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
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029409.cif
108295	2014-03-30	cif/ Adding structures of 7029409, 7029410, 7029411, 7029412 via cif-deposit CGI script.	7029409.cif