Information card for entry 4065767

Structure parameters

• Common name: HH-599
• Formula: C17 H15 F7 Mo O4
• Calculated formula: C17 H15 F7 Mo O4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Mo]2345(C#[O])(C#[O])(C#[O])C(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C)C)C
• Title of publication: Synthesis and Structural Characterization of New Perfluoroacyl and Perfluoroalkyl Group 6 Transition Metal Compounds
• Authors of publication: Huang, Hui; Hughes, Russell P.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1948
• a: 8.76 ± 0.0007 Å
• b: 16.094 ± 0.0014 Å
• c: 13.782 ± 0.0012 Å
• α: 90°
• β: 93.123 ± 0.001°
• γ: 90°
• Cell volume: 1940.1 ± 0.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4065765
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No