Information card for entry 1515907

Structure parameters

• Formula: C47 H55 Al N3 O2
• Calculated formula: C47 H55 Al N3 O2
• Title of publication: Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2
• Authors of publication: Myers, T. W.; Berben, L. A.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 2771
• a: 13.6878 ± 0.0003 Å
• b: 11.4342 ± 0.0003 Å
• c: 27.5312 ± 0.0006 Å
• α: 90°
• β: 109.089 ± 0.001°
• γ: 90°
• Cell volume: 4071.94 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No