Crystallography Open Database

Information card for entry 4080139

Preview

Coordinates	4080139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H64 N4 Y
Calculated formula	C47 H64 N4 Y
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	15.4304 ± 0.0007 Å
b	13.3008 ± 0.0006 Å
c	20.8582 ± 0.001 Å
α	90°
β	93.685 ± 0.001°
γ	90°
Cell volume	4272 ± 0.3 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	0.0645
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	4080139.cif
77242	2013-03-24	cif/ Adding structures of 4080138, 4080139, 4080140, 4080141, 4080142, 4080143, 4080144 via cif-deposit CGI script.	4080139.cif