Information card for entry 7001458

Structure parameters

• Common name: Cyclopentadienyl(2,2-difluoro-1- methylvinyl)tricarbonylmolybdenum
• Chemical name: Cyclopentadienyl(2,2-difluoro-1-methylvinyl)tricarbonylmolybdenum
• Formula: C11 H8 F2 Mo O3
• Calculated formula: C11 H8 F2 Mo O3
• SMILES: [Mo]1234(C#[O])(C(=C(F)F)C)([cH]5[cH]1[cH]3[cH]4[cH]25)(C#[O])C#[O]
• 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: 11.084 ± 0.002 Å
• b: 8.951 ± 0.002 Å
• c: 11.548 ± 0.002 Å
• α: 90°
• β: 95.309 ± 0.004°
• γ: 90°
• Cell volume: 1140.8 ± 0.4 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: 0.0465
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No