Information card for entry 7707303

Structure parameters

• Formula: C57 H82 Al Fe N2 O3 P
• Calculated formula: C57 H82 Al Fe N2 O3 P
• 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: 14.0053 ± 0.0004 Å
• b: 16.6674 ± 0.0005 Å
• c: 23.4517 ± 0.001 Å
• α: 90°
• β: 102.825 ± 0.004°
• γ: 90°
• Cell volume: 5337.8 ± 0.3 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173.05 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0923
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No