Information card for entry 7002790

Structure parameters

• Formula: C17 H18 Al N3
• Calculated formula: C17 H18 Al N3
• SMILES: [Al]1([n]2n(c3c(N1c1ccccc1)cccc3)ccc2)(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: 10.38 ± 0.002 Å
• b: 10.366 ± 0.002 Å
• c: 15.271 ± 0.003 Å
• α: 90°
• β: 102.726 ± 0.004°
• γ: 90°
• Cell volume: 1602.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No