Information card for entry 2227788

Structure parameters

• Chemical name: di-μ-oxido-bis[fluoridooxido(1,10-phenanthroline)vanadium(V)]
• Formula: C24 H16 F2 N4 O4 V2
• Calculated formula: C24 H16 F2 N4 O4 V2
• SMILES: c1ccc2c3[n]1[V]1(F)(=O)([n]4c3c(cc2)ccc4)O[V]2(F)([n]3cccc4c3c3c(cc4)ccc[n]23)(O1)=O
• Title of publication: A binuclear vanadium oxyfluoride: di-μ-oxido-bis[fluoridooxido(1,10-phenanthroline)vanadium(V)]
• Authors of publication: DeBurgomaster, Paul; Zubieta, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1303
• a: 7.832 ± 0.0009 Å
• b: 8.4937 ± 0.001 Å
• c: 9.2007 ± 0.0011 Å
• α: 113.741 ± 0.003°
• β: 102.834 ± 0.002°
• γ: 97.848 ± 0.002°
• Cell volume: 528.46 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes