Crystallography Open Database

Information card for entry 4067075

Preview

Coordinates	4067075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Al B O4
Calculated formula	C46 H62 Al B O4
SMILES	[Al]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(CC=C)CC=C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
Title of publication	Bis(allyl)aluminum Cation, Tris(allyl)aluminum, and Tetrakis(allyl)aluminate: Synthesis, Characterization, and Reactivity†
Authors of publication	Lichtenberg, Crispin; Robert, Dominique; Spaniol, Thomas P.; Okuda, Jun
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5714
a	12.073 ± 0.003 Å
b	13.12 ± 0.003 Å
c	14.328 ± 0.003 Å
α	70.859 ± 0.006°
β	82.787 ± 0.006°
γ	76.337 ± 0.006°
Cell volume	2080.5 ± 0.8 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0938
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
178505 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/70.	4067075.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067075.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067075.cif
34073	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067074, 4067075 via cif-deposit CGI script.	4067075.cif