Information card for entry 4301276

Structure parameters

• Formula: C1.5 H4.13 F0.25 O3.06 P0.5 V0.5
• Calculated formula: C1.5 H F0.25 O3.0625 P0.5 V0.5
• Title of publication: The Hydrothermal and Structural Chemistry of Oxovanadium-Arylphosphonate Networks and Frameworks
• Authors of publication: Wayne Ouellette; Guangbin Wang; Hongxue Liu; Gordon T. Yee; Charles J. O'Connor; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 953 - 963
• a: 7.0716 ± 0.0007 Å
• b: 10.1515 ± 0.001 Å
• c: 10.0344 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 720.34 ± 0.12 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 51
• Hermann-Mauguin space group symbol: P m m a
• Hall space group symbol: -P 2a 2a
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No