Information card for entry 4133698

Structure parameters

• Formula: C74 H70 Al3 Cl8 N6 O6
• Calculated formula: C74 H70 Al3 Cl8 N6 O6
• 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: 13.5219 ± 0.0005 Å
• b: 16.44 ± 0.0007 Å
• c: 21.4566 ± 0.0009 Å
• α: 87.446 ± 0.002°
• β: 79.203 ± 0.002°
• γ: 73.2865 ± 0.0018°
• Cell volume: 4487.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0874
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No