Information card for entry 7001461

Structure parameters

• Common name: (Pentacarbonyl)(1-difluoromethyl-2,2-difluorovinyl)manganese
• Chemical name: (Pentacarbonyl)(1-difluoromethyl-2,2-difluorovinyl)manganese
• Formula: C8 H F4 Mn O5
• Calculated formula: C8 H F4 Mn O5
• SMILES: [Mn](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C(=C(F)F)C(F)F
• Title of publication: Hydrometalation of fluoroallenes
• Authors of publication: Kühnel, Moritz F.; Lentz, Dieter
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 24
• Pages of publication: 4747 - 4755
• a: 11.495 ± 0.004 Å
• b: 7.687 ± 0.004 Å
• c: 13.148 ± 0.004 Å
• α: 90°
• β: 115.41 ± 0.005°
• γ: 90°
• Cell volume: 1049.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No