Information card for entry 7239405

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 ų
• 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 Fobs: No