Information card for entry 7711719

Structure parameters

• Formula: C42 H93 N3 O18
• Calculated formula: C42 H93 N3 O18
• Title of publication: CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides
• Authors of publication: Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.5107 ± 0.0013 Å
• b: 13.3985 ± 0.0007 Å
• c: 22.2321 ± 0.0012 Å
• α: 90°
• β: 106.552 ± 0.004°
• γ: 90°
• Cell volume: 5285.4 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.1532
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1885
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No