Information card for entry 7000320

Structure parameters

• Chemical name: tricaesium mu-fluoro-mu-peroxo-bis(fluorooxodiperoxovanadate(V)) hydrogenfluoride disolvate monohydrate
• Formula: Cs3 F5 H4 O9 V2
• Calculated formula: Cs3 F5 H4 O9 V2
• Title of publication: Dinuclear fluoro-peroxovanadium(v) complexes with symmetric and asymmetric peroxo bridges: syntheses, structures and DFT studies
• Authors of publication: Chrappová, Jana; Schwendt, Peter; Sivák, Michal; Repiský, Michal; Malkin, Vladimir G.; Marek, Jaromír
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 465 - 473
• a: 12.695 ± 0.002 Å
• b: 8.7388 ± 0.0009 Å
• c: 13.9833 ± 0.001 Å
• α: 90°
• β: 113.041 ± 0.013°
• γ: 90°
• Cell volume: 1427.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No