Crystallography Open Database

Information card for entry 4078835

Preview

Coordinates	4078835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H82 Al2 N2 Nd2
Calculated formula	C44 H82 Al2 N2 Nd2
SMILES	[CH3]1[Al]([CH3][Nd]2341[C]1(=[C]4(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)N2[Nd]124([CH3][Al]([CH3]1)(C)C)[C]1(=[C]4(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)N32)(C)C
Title of publication	Organoaluminum-Assisted Formation of Rare-Earth Metal Imide Complexes
Authors of publication	Schädle, Dorothea; Schädle, Christoph; Törnroos, Karl W.; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	14
Pages of publication	5101
a	9.6377 ± 0.0015 Å
b	11.643 ± 0.002 Å
c	12.2647 ± 0.0015 Å
α	62.306 ± 0.012°
β	85.093 ± 0.011°
γ	88.038 ± 0.013°
Cell volume	1214.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0448
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
178677 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88.	4078835.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078835.cif
66408	2012-09-09	cif/ Adding structures of 4078833, 4078834, 4078835, 4078836 via cif-deposit CGI script.	4078835.cif