Crystallography Open Database

Information card for entry 1512696

Preview

Coordinates	1512696.cif

Structure parameters

Chemical name	Dichlorobis(1-phenylimidazole) Palladium(II)
Formula	C18 H16 Cl2 N4 Pd
Calculated formula	C18 H16 Cl2 N4 Pd
SMILES	[Pd](Cl)(Cl)([n]1cn(cc1)c1ccccc1)[n]1cn(cc1)c1ccccc1
Title of publication	Imidazole containing palladium(II) complexes as efficient pre-catalyst systems for Heck and Suzuki coupling reaction: Synthesis, structural characterization and catalytic properties
Authors of publication	Manoj Trivedi; Gurmeet Singh; R. Nagarajan; Nigam P. Rath
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	393
Pages of publication	107 - 116
a	7.1661 ± 0.0003 Å
b	7.9158 ± 0.0004 Å
c	9.5294 ± 0.0004 Å
α	106.744 ± 0.004°
β	98.84 ± 0.004°
γ	115.135 ± 0.004°
Cell volume	444.23 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.775
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.	1512696.cif
90763	2013-11-18	cif/ Adding structures of 1512696 via cif-deposit CGI script.	1512696.cif