Information card for entry 4345681

Structure parameters

• Formula: C25 H38.75 Al Cl1.25 N5
• Calculated formula: C25 H38.75 Al Cl1.25 N5
• Title of publication: Control of Ligand pKa Values Tunes the Electrocatalytic Dihydrogen Evolution Mechanism in a Redox-Active Aluminum(III) Complex
• Authors of publication: Sherbow, Tobias J.; Fettinger, James C.; Berben, Louise A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 13.205 ± 0.0005 Å
• b: 13.0203 ± 0.0005 Å
• c: 15.6075 ± 0.0006 Å
• α: 90°
• β: 94.6075 ± 0.0013°
• γ: 90°
• Cell volume: 2674.77 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No