Information card for entry 7130595

Structure parameters

• Formula: C51 H75 Al Mg N4 O Si2
• Calculated formula: C51 H75 Al Mg N4 O Si2
• SMILES: [Si]1(O[Si](N([Al]([Mg]2N(C(=CC(=[N]2c2c(cc(cc2C)C)C)C)C)c2c(cc(cc2C)C)C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C)C)(C)C
• Title of publication: Isolating elusive ‘Al(μ-O)M’ intermediates in CO2 reduction by bimetallic Al–M complexes (M = Zn, Mg)
• Authors of publication: Evans, Matthew J.; Iliffe, George H.; Neale, Samuel E.; McMullin, Claire L.; Fulton, J. Robin; Anker, Mathew D.; Coles, Martyn P.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.5558 ± 0.0002 Å
• b: 18.8726 ± 0.0003 Å
• c: 24.3018 ± 0.0004 Å
• α: 90°
• β: 90.5318 ± 0.0013°
• γ: 90°
• Cell volume: 5299.7 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No