Information card for entry 4065772

Structure parameters

• Formula: C14 H15 Cr F3 O3
• Calculated formula: C14 H15 Cr F3 O3
• SMILES: [Cr]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C(F)(F)F)(C#[O])(C#[O])C#[O]
• 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: 16.457 ± 0.004 Å
• b: 9.668 ± 0.002 Å
• c: 8.982 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1429.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No