Crystallography Open Database

Information card for entry 1512697

Preview

Coordinates	1512697.cif

Structure parameters

Chemical name	Dibromobis(4-methoxyimidazole)Palladium(II)
Formula	C20 H20 Br2 N4 O2 Pd
Calculated formula	C20 H20 Br2 N4 O2 Pd
SMILES	[Pd](Br)(Br)([n]1cn(cc1)c1ccc(OC)cc1)[n]1cn(cc1)c1ccc(OC)cc1
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	11.1921 ± 0.0003 Å
b	12.3378 ± 0.0003 Å
c	7.7358 ± 0.0002 Å
α	90°
β	91.103 ± 0.002°
γ	90°
Cell volume	1068.01 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0609
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.1757
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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.	1512697.cif
90764	2013-11-18	cif/ Adding structures of 1512697 via cif-deposit CGI script.	1512697.cif