Information card for entry 4331626

Structure parameters

• Common name: [V(IV)O(BPDC)]
• Formula: C14 O5 V
• Calculated formula: C7 O2.5 V0.5
• Title of publication: New VIV-Based Metal-Organic Framework Having Framework Flexibility and High CO2Adsorption Capacity
• Authors of publication: Ying-Ya Liu; Sarah Couck; Matthias Vandichel; Maciej Grzywa; Karen Leus; Shyam Biswas; Dirk Volkmer; Jorge Gascon; Freek Kapteijn; Joeri F. M. Denayer; Michel Waroquier; Veronique Van Speybroeck; Pascal Van Der Voort
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 113 - 120
• a: 21.443 ± 0.003 Å
• b: 6.957 ± 0.004 Å
• c: 20.57 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3068.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No