Information card for entry 4070728

Structure parameters

• Formula: C31 H47 Al N2 O2
• Calculated formula: C31 H47 Al N2 O2
• SMILES: [Al]1(O)(OCC)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions
• Authors of publication: Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 769
• a: 16.954 ± 0.002 Å
• b: 10.0454 ± 0.0015 Å
• c: 17.892 ± 0.003 Å
• α: 90°
• β: 103.031 ± 0.002°
• γ: 90°
• Cell volume: 2968.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No