Crystallography Open Database

Information card for entry 7003984

Preview

Coordinates	7003984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H41 Al N P
Calculated formula	C45 H41 Al N P
SMILES	[Al](N(c1c(cccc1)c1ccccc1)c1c(cccc1)c1ccccc1)(C)(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?
Authors of publication	Dureen, Meghan A.; Stephan, Douglas W.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	35
Pages of publication	4723 - 4731
a	9.8623 ± 0.0011 Å
b	19.289 ± 0.002 Å
c	19.463 ± 0.002 Å
α	90°
β	94.741 ± 0.002°
γ	90°
Cell volume	3689.9 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0682
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179743 (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 7/00/39.	7003984.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003984.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003984.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003984.cif