Information card for entry 4325982

Structure parameters

• Formula: C16.25 H8 O5 V
• Calculated formula: C16.32 H8 O5 V
• Title of publication: Metal-Organic Frameworks of Vanadium as Catalysts for Conversion of Methane to Acetic Acid
• Authors of publication: Anh Phan; Alexander U. Czaja; Felipe Gándara; Carolyn B. Knobler; Omar M. Yaghi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7388 - 7390
• a: 6.7507 ± 0.001 Å
• b: 16.9798 ± 0.0013 Å
• c: 12.9232 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1481.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No