Crystallography Open Database

Information card for entry 7029410

Preview

Coordinates	7029410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 Al2 N8 O0.3
Calculated formula	C40 H46 Al2 N8 O0.3
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	10.6722 ± 0.0003 Å
b	13.5757 ± 0.0004 Å
c	13.6681 ± 0.0004 Å
α	90.244 ± 0.002°
β	101.867 ± 0.002°
γ	93.413 ± 0.001°
Cell volume	1934.23 ± 0.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029410.cif
108295	2014-03-30	cif/ Adding structures of 7029409, 7029410, 7029411, 7029412 via cif-deposit CGI script.	7029410.cif