Crystallography Open Database

Information card for entry 7239404

Preview

Coordinates	7239404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cl2 N4 O Zn
Calculated formula	C20 H16 Cl2 N4 O Zn
Title of publication	Coordination behaviour of new dipyridylpyrazole ligands towards ZnCl2and PdCl2fragments. Crystalline structural characterization and multinuclear NMR studies as evidence of linkage and conformational isomers
Authors of publication	Soria, Lorena; Ovejero, Paloma; Cano, Mercedes; Heras, José Vicente; Torres, M. Rosario; Claramunt, Rosa; Cornago, Pilar
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	18
Pages of publication	9383
a	13.105 ± 0.003 Å
b	21.483 ± 0.005 Å
c	8.0777 ± 0.0019 Å
α	90°
β	103.413 ± 0.004°
γ	90°
Cell volume	2212.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1856
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.1895
Weighted residual factors for all reflections included in the refinement	0.2039
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
244686 (current)	2019-11-28	cif/ Adding structures of 7239403, 7239404, 7239405 via cif-deposit CGI script.	7239404.cif