Information card for entry 7130594

Structure parameters

• Formula: C215 H308 Al4 N16 O12 Si8 Zn4
• Calculated formula: C215 H308 Al4 N16 O12 Si8 Zn4
• 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: 14.3252 ± 0.0002 Å
• b: 19.0153 ± 0.0003 Å
• c: 22.8866 ± 0.0003 Å
• α: 73.2612 ± 0.0013°
• β: 86.3624 ± 0.0013°
• γ: 71.2352 ± 0.0015°
• Cell volume: 5649.84 ± 0.15 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No