Crystallography Open Database

Information card for entry 7218558

Preview

Coordinates	7218558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 Cl2 N3 Pd Se
Calculated formula	C16 H15 Cl2 N3 Pd Se
SMILES	c1cc(ccc1)Cn1n[n]2[Pd]([Se](c3ccccc3)Cc2c1)(Cl)Cl
Title of publication	Palladium(II) complexes bearing 1,2,3-triazole based organosulfur/ selenium ligand: synthesis, structure and applications in Heck and Suzuki-Miyaura coupling as catalyst via palladium nanoparticles
Authors of publication	Singh, Ajai kumar; Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Singh, Mahabir Pratap
Journal of publication	RSC Adv.
Year of publication	2014
a	8.8269 ± 0.0019 Å
b	9.289 ± 0.002 Å
c	20.716 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1698.6 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7218558.cif
125658	2014-10-22	cif/ Adding structures of 7218558, 7218559 via cif-deposit CGI script.	7218558.cif