Information card for entry 2013426

Structure parameters

• Chemical name: (η^6^-Chlorobenzene)tricarbonylchromium
• Formula: C9 H5 Cl Cr O3
• Calculated formula: C9 H5 Cl Cr O3
• SMILES: [Cr]([c]12Cl)([cH]13)([cH]21)([cH]12)([cH]21)([cH]13)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(η^6^-chlorobenzene)chromium
• Authors of publication: Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Warren, John E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m322 - m324
• a: 7.1159 ± 0.0006 Å
• b: 10.7627 ± 0.0011 Å
• c: 12.1055 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 927.12 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes