Information card for entry 4074626

Structure parameters

• Formula: C24 H28 Al2 N4
• Calculated formula: C24 H28 Al2 N4
• SMILES: [Al]1([n]2n([Al](n3[n]1cc1c3cccc1)(C)C)c1c(c2)cccc1)(C)C.c1ccccc1
• Title of publication: Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State
• Authors of publication: Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 588
• a: 13.004 ± 0.003 Å
• b: 10.787 ± 0.002 Å
• c: 16.481 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2311.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No