Crystallography Open Database

Information card for entry 7008149

Preview

Coordinates	7008149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 As2 Cl2 Pd
Calculated formula	C42 H42 As2 Cl2 Pd
SMILES	c1(ccccc1[As]([Pd]([As](c1ccccc1C)(c1c(cccc1)C)c1ccccc1C)(Cl)Cl)(c1ccccc1C)c1ccccc1C)C
Title of publication	Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination.
Authors of publication	Baber, R. Angharad; Collard, Simon; Hooper, Mark; Orpen, A. Guy; Pringle, Paul G.; Wilkinson, Matthew J.; Wingad, Richard L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	8
Pages of publication	1491 - 1498
a	10.6786 ± 0.0018 Å
b	10.9964 ± 0.0019 Å
c	15.825 ± 0.003 Å
α	90°
β	93.093 ± 0.003°
γ	90°
Cell volume	1855.6 ± 0.6 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	0.0862
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179785 (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 7/00/81.	7008149.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008149.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008149.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008149.cif