Information card for entry 4304389

Structure parameters

• Formula: C31 H47 Al Cl N3
• Calculated formula: C31 H47 Al Cl N3
• SMILES: Cl[Al]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)N(C)C
• Title of publication: Synthesis, Characterization, and Reaction of Aluminum Halide Amides Supported by a Bulky β-Diketiminato Ligand
• Authors of publication: Ying Yang; Thomas Schulz; Michael John; Arne Ringe; Herbert W. Roesky; Dietmar Stalke; Jörg Magull; Hongqi Ye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2585 - 2592
• a: 10.5043 ± 0.0008 Å
• b: 12.3521 ± 0.001 Å
• c: 13.4442 ± 0.0011 Å
• α: 66.412 ± 0.001°
• β: 72.126 ± 0.001°
• γ: 72.612 ± 0.001°
• Cell volume: 1490.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No