Crystallography Open Database

Information card for entry 1556326

Preview

Coordinates	1556326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 Cl2 N2 Pd S
Calculated formula	C15 H28 Cl2 N2 Pd S
SMILES	c1(cc(C)n2CC[S](CCCCCCCC)[Pd]([n]12)(Cl)Cl)C
Title of publication	Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes
Authors of publication	Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine
Journal of publication	Catal. Sci. Technol.
Year of publication	2013
Journal volume	3
Journal issue	2
Pages of publication	475
a	8.1752 ± 0.0008 Å
b	15.2655 ± 0.0006 Å
c	15.457 ± 0.001 Å
α	94.321 ± 0.007°
β	90.451 ± 0.005°
γ	93.185 ± 0.004°
Cell volume	1920.4 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
244215 (current)	2019-11-28	cif/ Adding structures of 1556325, 1556326, 1556327, 1556328 via cif-deposit CGI script.	1556326.cif