Information card for entry 7716598

Structure parameters

• Formula: C54 H81 Al Fe N2 O3 Si2
• Calculated formula: C54 H81 Al Fe N2 O3 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: 11.989 ± 0.0002 Å
• b: 15.0157 ± 0.0002 Å
• c: 16.5211 ± 0.0003 Å
• α: 96.128 ± 0.001°
• β: 97.605 ± 0.001°
• γ: 113.366 ± 0.002°
• Cell volume: 2664.49 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0677
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No