Information card for entry 7716596

Structure parameters

• Formula: C47 H76 Al I N2 O Si2
• Calculated formula: C47 H76 Al I N2 O Si2
• Title of publication: Mechanochemical synthesis of iron aluminyl complexes.
• Authors of publication: Kallmeier, Fabian; Matthews, Aidan J. R.; Nelmes, Gareth R.; Lawson, Nina R.; Hicks, Jamie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12450 - 12454
• a: 12.436 ± 0.0004 Å
• b: 13.9695 ± 0.0005 Å
• c: 14.688 ± 0.0006 Å
• α: 86.848 ± 0.003°
• β: 83.768 ± 0.003°
• γ: 72.693 ± 0.003°
• Cell volume: 2421.05 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No