Information card for entry 4116539

Structure parameters

• Formula: C60 H50 Al B F20 N2
• Calculated formula: C60 H50 Al B F20 N2
• SMILES: [Al]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([F]c1c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c1F)C.c1ccccc1
• Title of publication: Three-Coordinate Cationic Aluminum Alkyl Complexes Incorporating β-Diketiminate Ligands
• Authors of publication: Catherine E. Radzewich; Ilia A. Guzei; Richard F. Jordan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 8673 - 8674
• a: 13.6005 ± 0.0007 Å
• b: 14.6761 ± 0.0007 Å
• c: 15.9556 ± 0.0008 Å
• α: 68.142 ± 0.001°
• β: 82.499 ± 0.001°
• γ: 75.838 ± 0.001°
• Cell volume: 2863.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No