Crystallography Open Database

Information card for entry 4080142

Preview

Coordinates	4080142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H37 Al2 N2 Y
Calculated formula	C21 H37 Al2 N2 Y
SMILES	[Y]123([CH3][Al]([CH3]2)(C)C)([CH3][Al]([CH3]3)(C)C)n2cccc2C=[N]1c1c(cccc1C)C
Title of publication	Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer
Authors of publication	Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1199
a	9.2848 ± 0.0003 Å
b	11.5466 ± 0.0004 Å
c	12.5982 ± 0.0005 Å
α	105.821 ± 0.001°
β	106.197 ± 0.001°
γ	93.899 ± 0.001°
Cell volume	1232.62 ± 0.08 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0227
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080142.cif
77242	2013-03-24	cif/ Adding structures of 4080138, 4080139, 4080140, 4080141, 4080142, 4080143, 4080144 via cif-deposit CGI script.	4080142.cif