Information card for entry 7239404

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 ų
• 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 Fobs: No