Crystallography Open Database

Information card for entry 7029411

Preview

Coordinates	7029411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H37 Al B2 N4
Calculated formula	C11 H37 Al B2 N4
SMILES	[AlH2]12[N](C)(C)CC[N]1(C)CC[N]2(C)C.[N]([BH3])([BH3])(C)C
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	6.0538 ± 0.0004 Å
b	12.6086 ± 0.0006 Å
c	13.397 ± 0.0009 Å
α	114.25 ± 0.002°
β	93.497 ± 0.002°
γ	99.234 ± 0.003°
Cell volume	911.08 ± 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	0.1569
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
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.	7029411.cif
108295	2014-03-30	cif/ Adding structures of 7029409, 7029410, 7029411, 7029412 via cif-deposit CGI script.	7029411.cif