Crystallography Open Database

Information card for entry 4106029

Preview

Coordinates	4106029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H60 Al3 O3 Sc
Calculated formula	C24 H60 Al3 O3 Sc
SMILES	[Al](C)(C)([O](CC(C)(C)C)[Sc]([O](CC(C)(C)C)[Al](C)(C)C)[O](CC(C)(C)C)[Al](C)(C)C)C
Title of publication	Synthesis and Stability of Homoleptic Metal(III) Tetramethylaluminates
Authors of publication	Giovanni Occhipinti; Christian Meermann; H. Martin Dietrich; Rannveig Litlabø; Florian Auras; Karl Wilhelm Törnroos; Cäcilia Maichle-Mössmer; Vidar R. Jensen; Reiner Anwander
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6323 - 6337
a	15.8846 ± 0.0003 Å
b	15.8846 ± 0.0003 Å
c	8.6025 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	1879.78 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
178806 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/60.	4106029.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106029.cif
52817	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106029 via cif-deposit CGI script.	4106029.cif