Crystallography Open Database

Information card for entry 7006177

Preview

Coordinates	7006177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Al2 Nd P
Calculated formula	C16 H36 Al2 Nd P
SMILES	[Nd]123456(P7[C]3(=[C]4([C]5(=[C]67C)C)C)C)([H][CH2][Al]([CH2][H]1)(C)C)[H][CH2][Al]([CH2][H]2)(C)C
Title of publication	Mono-phosphacyclopentadienyl bis(tetramethylaluminate) lanthanide complexes.
Authors of publication	Le Roux, Erwan; Nief, François; Jaroschik, Florian; Törnroos, Karl W; Anwander, Reiner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	42
Pages of publication	4866 - 4870
a	14.7933 ± 0.0018 Å
b	16.262 ± 0.002 Å
c	18.559 ± 0.002 Å
α	90°
β	103.493 ± 0.002°
γ	90°
Cell volume	4341.5 ± 0.9 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
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	0.0585
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179765 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/61.	7006177.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006177.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006177.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006177.cif