Information card for entry 7002791

Structure parameters

• Formula: C18 H20 Al N3 O
• Calculated formula: C18 H20 Al N3 O
• SMILES: [Al]12([O](c3c(N2c2ccccc2[n]2n1ccc2)cccc3)C)(C)C
• Title of publication: Synthesis and catalytic application of aluminium anilido-pyrazolate complexes
• Authors of publication: Peng, Kuo-Fu; Chen, Chi-Tien
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9800 - 9806
• a: 10.4157 ± 0.0006 Å
• b: 10.5978 ± 0.0006 Å
• c: 15.1969 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1677.49 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No