Information card for entry 7707302

Structure parameters

• Formula: C40 H49 Al Fe N2 O4
• Calculated formula: C40 H48.844 Al Fe N2 O4
• Title of publication: 1^st row transition metal aluminylene complexes: preparation, properties and bonding analysis.
• Authors of publication: Kong, Richard Y.; Crimmin, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 22
• Pages of publication: 7810 - 7817
• a: 21.9278 ± 0.0009 Å
• b: 16.6105 ± 0.0008 Å
• c: 10.6008 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3861.1 ± 0.3 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No