Information card for entry 2203583

Structure parameters

• Formula: C9 H5 Cr F O3
• Calculated formula: C9 H5 Cr F O3
• SMILES: [Cr]12345([c]6(F)[cH]1[cH]2[cH]3[cH]4[cH]56)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(η^6^-fluorobenzene)chromium
• 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: m650 - m651
• a: 6.4048 ± 0.0008 Å
• b: 11.0668 ± 0.0014 Å
• c: 12.7124 ± 0.0016 Å
• α: 90°
• β: 102.94 ± 0.002°
• γ: 90°
• Cell volume: 878.18 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes