Crystallography Open Database

Information card for entry 7239405

Preview

Coordinates	7239405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 Cl4 N4 O Pd
Calculated formula	C21 H16 Cl4 N4 O Pd
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	11.693 ± 0.0011 Å
b	13.833 ± 0.0011 Å
c	28.947 ± 0.003 Å
α	90°
β	96.969 ± 0.003°
γ	90°
Cell volume	4647.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1487
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	Yes
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.	7239405.cif