Information card for entry 7006749

Structure parameters

• Formula: C64 H57 Al B F20 N3
• Calculated formula: C64 H57 Al B F20 N3
• SMILES: [AlH]1N(C(N(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)=C)c1c(cccc1C(C)C)C(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.
• Authors of publication: Masuda, Jason D.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2089 - 2097
• a: 16.0619 ± 0.0019 Å
• b: 18.95 ± 0.002 Å
• c: 20.586 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6265.8 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No