Information card for entry 8102198

Structure parameters

• Chemical name: hexaquis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate
• Formula: C48 H74 F6 N6 O32 V10
• Calculated formula: C48 H70 F6 N6 O32 V10
• Title of publication: Crystal structure of hexakis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate, (C8H11FN)6[V10O28] · 4H2O
• Authors of publication: Francesc Yraola; Fernando Albericio; Miriam Royo; Xavier Solans
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 45
• a: 10 ± 0.001 Å
• b: 18.713 ± 0.001 Å
• c: 19.07 ± 0.001 Å
• α: 90°
• β: 101.06 ± 0.01°
• γ: 90°
• Cell volume: 3502.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No