Information card for entry 4065771

Structure parameters

• Formula: C16 H15 F7 Mo O3
• Calculated formula: C16 H15 F7 Mo O3
• SMILES: [Mo]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(C#[O])(C#[O])(C#[O])C(F)(F)C(F)(F)C(F)(F)F
• 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: 8.575 ± 0.0006 Å
• b: 16.7549 ± 0.0012 Å
• c: 12.8756 ± 0.001 Å
• α: 90°
• β: 96.355 ± 0.001°
• γ: 90°
• Cell volume: 1838.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No