Crystallography Open Database

Information card for entry 7052759

Preview

Coordinates	7052759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Br0.66 Cl0.34 N O4 Pd S2
Calculated formula	C25 H20 Br0.663 Cl0.337 N O4 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	8.6141 ± 0.0002 Å
b	12.4476 ± 0.0002 Å
c	22.262 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2387.04 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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.	7052759.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052759.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052759.cif
28151	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052758, 7052759, 7052760 via cif-deposit CGI script.	7052759.cif