Information card for entry 7130596

Structure parameters

• Formula: C130 H182 Al2 N8 O4 Si4 Zn2
• Calculated formula: C102 H150 Al2 N8 O4 Si4 Zn2
• 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: 19.079 ± 0.0002 Å
• b: 26.4548 ± 0.0003 Å
• c: 26.1164 ± 0.0003 Å
• α: 90°
• β: 96.4642 ± 0.001°
• γ: 90°
• Cell volume: 13098 ± 0.3 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: 0.0625
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No