Information card for entry 7240931

Structure parameters

• Common name: wuf-30
• Formula: C48 H30 O16 Zn4
• Calculated formula: C48 H29.5 O16 Zn4
• Title of publication: A post-synthetically reduced borane-functionalised metal-organic framework with oxidation-inhibiting reactivity
• Authors of publication: Ablott, Timothy Andrew; Telfer, Shane; Richardson, Christopher
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 17.212 ± 0.003 Å
• b: 17.212 ± 0.003 Å
• c: 17.168 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5086.1 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1844
• Residual factor for significantly intense reflections: 0.1781
• Weighted residual factors for significantly intense reflections: 0.4773
• Weighted residual factors for all reflections included in the refinement: 0.4859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No