Information card for entry 4074623

Structure parameters

• Formula: C18 H22 Ga2 N4
• Calculated formula: C18 H22 Ga2 N4
• SMILES: [Ga]1(n2[n]([Ga](n3[n]1cc1ccccc31)(C)C)cc1c2cccc1)(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: 15.497 ± 0.003 Å
• b: 8.758 ± 0.0014 Å
• c: 27.081 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3675.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No