Crystallography Open Database

Information card for entry 4080141

Preview

Coordinates	4080141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H72 Al2 La2 N4
Calculated formula	C44 H72 Al2 La2 N4
SMILES	[cH]12[cH]3[cH]4[c]56[n]71[La]189%10%11([CH3][Al]([CH3]1)(C)C)([cH]1[cH]9[cH]%10[c]9%11[C@H](C)N(c%10c(cccc%10C(C)C)C(C)C)[La]%1023457([n]819)[CH3][Al]([CH3]%10)(C)C)N([C@@H]6C)c1c(cccc1C(C)C)C(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	11.0471 ± 0.0005 Å
b	18.7061 ± 0.0009 Å
c	13.7101 ± 0.0006 Å
α	90°
β	109.152 ± 0.001°
γ	90°
Cell volume	2676.4 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.244
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.	4080141.cif
77242	2013-03-24	cif/ Adding structures of 4080138, 4080139, 4080140, 4080141, 4080142, 4080143, 4080144 via cif-deposit CGI script.	4080141.cif