Information card for entry 7716600

Structure parameters

• Formula: C39 H54 Al I N2 O
• Calculated formula: C39 H54 Al I N2 O
• 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: 11.4074 ± 0.0002 Å
• b: 17.6989 ± 0.0002 Å
• c: 19.0286 ± 0.0002 Å
• α: 90°
• β: 105.105 ± 0.001°
• γ: 90°
• Cell volume: 3709.11 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No