Information card for entry 2225244

Structure parameters

• Chemical name: Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')molybdenum(III)
• Formula: C15 H3 F18 Mo O6
• Calculated formula: C15 H3 F18 Mo O6
• SMILES: [Mo]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')molybdenum(III)
• Authors of publication: Champouret, Yohan; Poli, Rinaldo; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m299 - m300
• a: 18.4876 ± 0.001 Å
• b: 18.4876 ± 0.001 Å
• c: 11.5021 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3404.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes