Crystallography Open Database

Information card for entry 4080140

Preview

Coordinates	4080140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H57 N2 Y
Calculated formula	C43 H57 N2 Y
SMILES	[Y]123456789(n%10cccc%10C=[N]1c1c(cccc1C(C)C)C(C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.c1ccccc1
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	9.9779 ± 0.0004 Å
b	16.8309 ± 0.0006 Å
c	21.997 ± 0.0008 Å
α	90°
β	92.77 ± 0.001°
γ	90°
Cell volume	3689.8 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0492
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4080140.cif
77242	2013-03-24	cif/ Adding structures of 4080138, 4080139, 4080140, 4080141, 4080142, 4080143, 4080144 via cif-deposit CGI script.	4080140.cif