Information card for entry 1576254

Structure parameters

• Formula: C41 H27.775 Cu6 O23.387
• Calculated formula: C41 H27.775 Cu6 O23.3875
• Title of publication: A flexible copper MOF as a carboxylate-specific crystalline sponge for structure solution using X-ray and electron diffraction.
• Authors of publication: Main, Russell; Rainer, Daniel N.; Bauzá, Marta; Ettlinger, Romy; Kelly, Nicole L.; Coles, Simon; Ashbrook, Sharon Elizabeth; Morris, Russell
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 16.409 ± 0.01 Å
• b: 23.396 ± 0.008 Å
• c: 16.847 ± 0.006 Å
• α: 90°
• β: 118.78 ± 0.06°
• γ: 90°
• Cell volume: 5669 ± 6 ų
• Cell temperature: 175 ± 5 K
• Ambient diffraction temperature: 175 ± 5 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: 0.3032
• Residual factor for significantly intense reflections: 0.181
• Weighted residual factors for significantly intense reflections: 0.4196
• Weighted residual factors for all reflections included in the refinement: 0.4835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2327
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No