Information card for entry 2202814

Structure parameters

• Chemical name: (h6-p-fluoroaniline)chromium(tricarbonyl)
• Formula: C9 H6 Cr F N O3
• Calculated formula: C9 H6 Cr F N O3
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[Cr]1345(C#[O])([cH]26)(C#[O])C#[O])N)F
• Title of publication: Tricarbonyl(η^6^-4-fluoroaniline)chromium
• Authors of publication: Zeller, Matthias; Hunter, Allen D.; Regula, Jody L.; Szalay, Paul S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m975 - m976
• a: 12.6648 ± 0.0008 Å
• b: 9.1249 ± 0.0005 Å
• c: 8.2136 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 949.2 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes