Crystallography Open Database

Information card for entry 1505791

Preview

Coordinates	1505791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H69 Al2 Nd O3
Calculated formula	C42 H69 Al2 Nd O3
SMILES	[Nd](Oc1c(cccc1C(C)C)C(C)C)([O]([Al](C)(C)C)c1c(cccc1C(C)C)C(C)C)[O]([Al](C)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Discrete Lanthanide Aryl(alk)oxide Trimethylaluminum Adducts as Isoprene Polymerization Catalysts
Authors of publication	Fischbach, Andreas; Meermann, Christian; Eickerling, Georg; Scherer, Wolfgang; Anwander, Reiner
Journal of publication	Macromolecules
Year of publication	2006
Journal volume	39
Journal issue	20
Pages of publication	6811
a	11.714 ± 0.001 Å
b	18.289 ± 0.001 Å
c	20.855 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4467.9 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.56087 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505791.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505791.cif
47740	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505791 via cif-deposit CGI script.	1505791.cif