Crystallography Open Database

Information card for entry 4080134

Preview

Coordinates	4080134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H59 Al2 N2 Y
Calculated formula	C33 H59 Al2 N2 Y
SMILES	[Y]123([CH3][Al]([CH3]2)(C)C)([CH3][Al]([CH3]3)(C)C)[N](c2c(cccc2C(C)C)C(C)C)=CN1c1c(cccc1C(C)C)C(C)C
Title of publication	C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands
Authors of publication	Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1209
a	13.249 ± 0.003 Å
b	16.148 ± 0.003 Å
c	17.544 ± 0.004 Å
α	90°
β	100.35 ± 0.03°
γ	90°
Cell volume	3692.4 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1183
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.309
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.	4080134.cif
77241	2013-03-24	cif/ Adding structures of 4080128, 4080129, 4080130, 4080131, 4080132, 4080133, 4080134, 4080135, 4080136, 4080137 via cif-deposit CGI script.	4080134.cif