Information card for entry 7707298

Structure parameters

• Formula: C45 H57 Al Cr N2 O6
• Calculated formula: C45 H57 Al Cr N2 O6
• SMILES: [Cr]([Al]1([O]2CCCC2)N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].c1ccccc1C
• 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: 10.9861 ± 0.0006 Å
• b: 25.9752 ± 0.0014 Å
• c: 15.2738 ± 0.001 Å
• α: 90°
• β: 99.548 ± 0.006°
• γ: 90°
• Cell volume: 4298.2 ± 0.4 ų
• Cell temperature: 173 ± 0.3 K
• Ambient diffraction temperature: 173 ± 0.3 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: 0.1719
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No