Information card for entry 7135254

Structure parameters

• Formula: C51 H82 Al Fe N3 O P2 Si
• Calculated formula: C46 H70 Al Fe N3 O P2 Si
• Title of publication: A Heterometallic σ-Silane Adduct from Cooperative Reactivity of an Iron–Aluminium Complex
• Authors of publication: Crimmin, Mark Richard; Stadler, Benedek
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 14.59351 ± 0.00006 Å
• b: 10.0249 ± 0.00006 Å
• c: 35.96271 ± 0.00015 Å
• α: 90°
• β: 94.4545 ± 0.0004°
• γ: 90°
• Cell volume: 5245.4 ± 0.04 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173.05 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No