Information card for entry 1560181

Structure parameters

• Formula: C44 H39 Al Cl F10 N3 O2.5
• Calculated formula: C44 H39 Al Cl F10 N3 O2.5
• Title of publication: Delocalization tunable by ligand substitution in [L₂Al] ^<i>n</i>- complexes highlights a mechanism for strong electronic coupling.
• Authors of publication: Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 675 - 682
• a: 9.8433 ± 0.0003 Å
• b: 10.2481 ± 0.0003 Å
• c: 20.401 ± 0.0006 Å
• α: 90°
• β: 103.193 ± 0.0014°
• γ: 90°
• Cell volume: 2003.63 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No