Information card for entry 4304390

Structure parameters

• Formula: C35 H55 Al Cl N3
• Calculated formula: C35 H55 Al Cl N3
• SMILES: Cl[Al]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(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: 10.0276 ± 0.0008 Å
• b: 20.3125 ± 0.0016 Å
• c: 16.7958 ± 0.0013 Å
• α: 90°
• β: 97.405 ± 0.001°
• γ: 90°
• Cell volume: 3392.5 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No