Information card for entry 7130598

Structure parameters

• Formula: C52 H75 Al N4 O4 Si2 Zn
• Calculated formula: C52 H75 Al N4 O4 Si2 Zn
• SMILES: [Zn]1(N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)[O]=C1O[Al]2(N([Si](O[Si](N2c2c(cccc2C(C)C)C(C)C)(C)C)(C)C)c2c(cccc2C(C)C)C(C)C)O1
• 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: 14.56239 ± 0.00017 Å
• b: 15.0196 ± 0.0002 Å
• c: 25.1167 ± 0.0003 Å
• α: 90°
• β: 97.885 ± 0.001°
• γ: 90°
• Cell volume: 5441.62 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No