Information card for entry 2227032

Structure parameters

• Chemical name: μ-oxido-bis[(2,2'-bipyridyl)fluoridodioxidomolybdenum(VI)]
• Formula: C20 H16 F2 Mo2 N4 O5
• Calculated formula: C20 H16 F2 Mo2 N4 O5
• SMILES: c12c3cccc[n]3[Mo](F)(=O)(=O)(O[Mo]3(F)([n]4ccccc4c4cccc[n]34)(=O)=O)[n]2cccc1
• Title of publication: A binuclear molybdenum oxyfluoride: μ-oxido-bis[(2,2'-bipyridyl)fluoridodioxidomolybdenum(VI)]
• Authors of publication: DeBurgomaster, Paul; Zubieta, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m909
• a: 6.918 ± 0.0004 Å
• b: 15.6494 ± 0.0008 Å
• c: 10.4544 ± 0.0005 Å
• α: 90°
• β: 108.933 ± 0.001°
• γ: 90°
• Cell volume: 1070.59 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.392
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes