Crystallography Open Database

Information card for entry 4113241

Preview

Coordinates	4113241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cl4 N4 Pd
Calculated formula	C18 H22 Cl4 N4 Pd
SMILES	[Pd](Cl)(Cl)([Cl-])[Cl-].[n+]1(ccccc1)CCCC#N.[n+]1(ccccc1)CCCC#N
Title of publication	Nitrile-Functionalized Pyridinium Ionic Liquids: Synthesis, Characterization, and Their Application in Carbon-Carbon Coupling Reactions
Authors of publication	Dongbin Zhao; Zhaofu Fei; Tilmann J. Geldbach; Rosario Scopelliti; Paul J. Dyson
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	15876 - 15882
a	14.142 ± 0.007 Å
b	10.421 ± 0.005 Å
c	15.367 ± 0.003 Å
α	90°
β	104.78 ± 0.03°
γ	90°
Cell volume	2189.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
178903 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32.	4113241.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113241.cif
65664	2012-09-06	cif/ Adding structures of 4113241 via cif-deposit CGI script.	4113241.cif