Information card for entry 4133690

Structure parameters

• Formula: C86 H94 Al N6 Na3 O9
• Calculated formula: C86 H94 Al N6 Na3 O9
• Title of publication: Organic Electron Delocalization Modulated by Ligand Charge States in [L₂M]^<i>n-</i> Complexes of Group 13 Ions.
• Authors of publication: Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 15792 - 15803
• a: 20.9379 ± 0.0006 Å
• b: 22.5375 ± 0.0007 Å
• c: 15.8419 ± 0.0005 Å
• α: 90°
• β: 99.1947 ± 0.0017°
• γ: 90°
• Cell volume: 7379.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2432
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No