Information card for entry 7130640

Structure parameters

• Formula: C32 H58 Al Fe N2 P3
• Calculated formula: C32 H58 Al Fe N2 P3
• Title of publication: Diverse Reactivity of an Iron–Aluminium Complex with Substituted Pyridines
• Authors of publication: Gorgas, Nikolaus; White, Andrew J. P.; Crimmin, Mark Richard
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 20.9505 ± 0.0004 Å
• b: 15.47 ± 0.0003 Å
• c: 22.5791 ± 0.0004 Å
• α: 90°
• β: 92.0326 ± 0.0015°
• γ: 90°
• Cell volume: 7313.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No