Crystallography Open Database

Information card for entry 7052760

Preview

Coordinates	7052760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 Cl N O Pd S2
Calculated formula	C25 H26 Cl N O Pd S2
SMILES	[Pd]12(Cl)[S](Cc3c2c(cc(c3)C(=O)NCCCC)C[S]1c1ccccc1)c1ccccc1
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	15.8584 ± 0.0002 Å
b	9.8059 ± 0.0002 Å
c	16.273 ± 0.0003 Å
α	90°
β	113.38 ± 0.0007°
γ	90°
Cell volume	2322.77 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0493
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7052760.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052760.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052760.cif
28151	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052758, 7052759, 7052760 via cif-deposit CGI script.	7052760.cif