Crystallography Open Database

Information card for entry 7007714

Preview

Coordinates	7007714.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Pd(1)I)2
Formula	C32 H36 I2 P2 Pd2 S2
Calculated formula	C31.99 H35.99 I2 P2 Pd2 S2
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	14.5082 ± 0.0001 Å
b	16.0768 ± 0.0002 Å
c	29.9895 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	6994.91 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7007714.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007714.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007714.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007714.cif