Information card for entry 4306495

Structure parameters

• Chemical name: bis(1,1,1,5,5,5-hexafluoroacetylacetonato)-bis(acetone)-manganese(ii)
• Formula: C16 H14 F12 Mn O6
• Calculated formula: C16 H14 F11.88 Mn O6
• Title of publication: Fluorinated β-Diketonates of the First Row Divalent Transition Metals: New Approach to the Synthesis of Unsolvated Species
• Authors of publication: Haitao Zhang; Bo Li; Jinyu Sun; Rodolphe Clérac; Evgeny V. Dikarev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10046 - 10052
• a: 20.1083 ± 0.0012 Å
• b: 13.2128 ± 0.0008 Å
• c: 8.7059 ± 0.0005 Å
• α: 90°
• β: 104.987 ± 0.001°
• γ: 90°
• Cell volume: 2234.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No