Information card for entry 4074625

Structure parameters

• Formula: C18 H22 Al2 N4
• Calculated formula: C18 H22 Al2 N4
• SMILES: c12ccccc1c[n]1n2[Al](C)(n2cc3c(cccc3)[n]2[Al]1(C)C)C
• 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: 15.82 ± 0.004 Å
• b: 7.2907 ± 0.0017 Å
• c: 8.5398 ± 0.0019 Å
• α: 90°
• β: 111.805 ± 0.004°
• γ: 90°
• Cell volume: 914.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No