Information card for entry 7130599

Structure parameters

• Formula: C65 H91 Al Mg N4 O2 Si2
• Calculated formula: C51 H75 Al Mg N4 O2 Si2
• SMILES: [Si]1(O[Si](N([Al](O[Mg]2[N](=C(C=C(N2c2c(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: 19.0112 ± 0.0004 Å
• b: 26.6902 ± 0.0005 Å
• c: 26.0942 ± 0.0006 Å
• α: 90°
• β: 96.081 ± 0.002°
• γ: 90°
• Cell volume: 13166 ± 0.5 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: 0.0893
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No