Crystallography Open Database

Information card for entry 7007716

Preview

Coordinates	7007716.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Pd(4)Cl2)
Formula	C25 H29 Cl2 P Pd S
Calculated formula	C25 H29 Cl2 P Pd S
SMILES	C1C(CC)[S](Cc2cc(cc(c2)C)C)[Pd]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl
Title of publication	Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions.
Authors of publication	Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	48
Pages of publication	5717 - 5724
a	14.029 ± 0.002 Å
b	12.6 ± 0.002 Å
c	14.87 ± 0.003 Å
α	90°
β	109.835 ± 0.001°
γ	90°
Cell volume	2472.6 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.049
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179781 (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 7/00/77.	7007716.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007716.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007716.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007716.cif