Information card for entry 1559947

Structure parameters

• Chemical name: csiMOF-6
• Formula: C30 H14 Cd N4 O8 S
• Calculated formula: C30 H14 Cd N4 O8 S
• Title of publication: A cofacial metal‒organic framework based photocathode for carbon dioxide reduction
• Authors of publication: Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3608 - 3614
• a: 12.9936 ± 0.0001 Å
• b: 19.8725 ± 0.0001 Å
• c: 20.0366 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5173.76 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No