Information card for entry 4065773

Structure parameters

• Formula: C14 H15 F3 O3 W
• Calculated formula: C14 H15 F3 O3 W
• SMILES: [W]1234(C#[O])(C#[O])(C#[O])(C(F)(F)F)[c]5([c]4([c]3([c]2([c]15C)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: 16.913 ± 0.006 Å
• b: 9.751 ± 0.004 Å
• c: 9.135 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1506.5 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No