Information card for entry 7061266

Structure parameters

• Formula: C28 H36 Fe N2 O3
• Calculated formula: C28 H36 Fe N2 O3
• Title of publication: Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation
• Authors of publication: Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3948 - 3960
• a: 10.2197 ± 0.0006 Å
• b: 10.3087 ± 0.0005 Å
• c: 25.1548 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2650.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No