Crystallography Open Database

Information card for entry 4078010

Preview

Coordinates	4078010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H20 Al K
Calculated formula	C8 H20 Al K
SMILES	[K+].[Al](CC)(CC)(CC)CC
Title of publication	Tris(pyrazolyl)borate Complexes of the Alkaline-Earth Metals: Alkylaluminate Precursors and Schlenk-Type Rearrangements
Authors of publication	Michel, Olaf; Dietrich, H. Martin; Litlabø, Rannveig; Törnroos, Karl W.; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3119
a	7.3108 ± 0.0004 Å
b	7.3108 ± 0.0004 Å
c	17.6876 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	818.71 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
178669 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/80.	4078010.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078010.cif
57665	2012-05-18	cif/ Adding structures of 4078005, 4078006, 4078007, 4078008, 4078009, 4078010, 4078011, 4078012 via cif-deposit CGI script.	4078010.cif