Information card for entry 2203582

Structure parameters

• Chemical name: Tricarbonyl(η^6^-trifluoromethylbenzene)chromium(0)
• Formula: C10 H5 Cr F3 O3
• Calculated formula: C10 H5 Cr F3 O3
• SMILES: [Cr]12345([c]6([cH]1[cH]2[cH]3[cH]4[cH]56)C(F)(F)F)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(η^6^-trifluoromethylbenzene)chromium(0)
• Authors of publication: Zeller, Matthias; Hunter, Allen D.; Perrine, Cynthia L.; Payton , John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m668 - m669
• a: 6.401 ± 0.002 Å
• b: 11.5 ± 0.004 Å
• c: 13.932 ± 0.004 Å
• α: 90°
• β: 91.908 ± 0.005°
• γ: 90°
• Cell volume: 1025 ± 0.6 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: 0.0313
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes