Crystallography Open Database

Information card for entry 7052758

Preview

Coordinates	7052758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Br0.26 Cl0.74 Pd S2
Calculated formula	C20 H17 Br0.265 Cl0.735 Pd S2
Title of publication	The role of the dendritic support in the catalytic performance of peripheral pincer Pd-complexes
Authors of publication	Pijnenburg, Niels J. M.; Lutz, Martin; Siegler, Maxime A.; Spek, Anthony; van Koten, Gerard; Gebbink, Robertus J. M. Klein
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2356
a	9.8035 ± 0.0007 Å
b	18.0936 ± 0.0012 Å
c	10.0847 ± 0.0005 Å
α	90°
β	97.542 ± 0.003°
γ	90°
Cell volume	1773.35 ± 0.19 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0452
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
180081 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27.	7052758.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052758.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052758.cif
28151	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052758, 7052759, 7052760 via cif-deposit CGI script.	7052758.cif