Crystallography Open Database

Information card for entry 4106031

Preview

Coordinates	4106031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Al3 Ce
Calculated formula	C12 H36 Al3 Ce
SMILES	[Ce]123([CH3][Al]([CH3]3)(C)C)([CH3][Al]([CH3]1)(C)C)[CH3][Al]([CH3]2)(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	17.8247 ± 0.0013 Å
b	18.2909 ± 0.0012 Å
c	13.7888 ± 0.001 Å
α	90°
β	108.531 ± 0.006°
γ	90°
Cell volume	4262.5 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56085 Å
Diffraction radiation type	AgKα
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.	4106031.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	4106031.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106031.cif
52819	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106031 via cif-deposit CGI script.	4106031.cif