Crystallography Open Database

Information card for entry 1556327

Preview

Coordinates	1556327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H56 Cl2 N4 O2 Pd
Calculated formula	C30 H56 Cl2 N4 O2 Pd
SMILES	Cc1cc(C)[n](n1CCOCCCCCCCC)[Pd]([n]1c(cc(C)n1CCOCCCCCCCC)C)(Cl)Cl
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	8.1693 ± 0.0008 Å
b	9.1162 ± 0.001 Å
c	22.9935 ± 0.0007 Å
α	93.592 ± 0.003°
β	91.806 ± 0.005°
γ	89.939 ± 0.006°
Cell volume	1708.2 ± 0.3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1022
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation probe	x-ray
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.	1556327.cif