Crystallography Open Database

Information card for entry 4080143

Preview

Coordinates	4080143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 Al N2
Calculated formula	C15 H19 Al N2
SMILES	[Al]1([N](c2c(cccc2C)C)=Cc2n1ccc2)(C)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	8.5714 ± 0.0016 Å
b	8.6724 ± 0.0016 Å
c	19.893 ± 0.004 Å
α	90°
β	96.567 ± 0.005°
γ	90°
Cell volume	1469 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0397
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	4080143.cif
77242	2013-03-24	cif/ Adding structures of 4080138, 4080139, 4080140, 4080141, 4080142, 4080143, 4080144 via cif-deposit CGI script.	4080143.cif