Information card for entry 7109530

Structure parameters

• Formula: C50 H64 N3 Zn
• Calculated formula: C50 H64 N3 Zn
• Title of publication: Dibenzyl and diallyl 2,6-bisiminopyridinezinc(II) complexes: selective alkyl migration to the pyridine ring leads to remarkably stable dihydropyridinates
• Authors of publication: John J. Sandoval; Pilar Palma; Eleuterio Alvarez; Antonio Rodriguez-Delgado; Juan Campora
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6791
• a: 12.0371 ± 0.0012 Å
• b: 16.436 ± 0.0015 Å
• c: 23.031 ± 0.002 Å
• α: 90°
• β: 100.793 ± 0.002°
• γ: 90°
• Cell volume: 4475.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No