Crystallography Open Database

Information card for entry 7006178

Preview

Coordinates	7006178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H48 Al2 Nd P Si2
Calculated formula	C20 H48 Al2 Nd P Si2
SMILES	[Nd]12345678([p]9[c]8([Si](C)(C)C)[c]2(C)[c]4([c]69[Si](C)(C)C)C)([Al]([CH3]1)([CH3]3)(C)C)[Al]([CH3]5)([CH3]7)(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	9.9507 ± 0.0003 Å
b	10.5055 ± 0.0003 Å
c	15.9152 ± 0.0004 Å
α	73.574 ± 0.001°
β	86.1 ± 0.001°
γ	68.712 ± 0.001°
Cell volume	1485.82 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0152
Residual factor for significantly intense reflections	0.0139
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0373
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	7006178.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006178.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006178.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006178.cif