Information card for entry 2203490

Structure parameters

• Common name: Tricarbonyl(η^6^-1,3-dimethylbenzene)chromium
• Formula: C11 H10 Cr O3
• Calculated formula: C11 H10 Cr O3
• SMILES: C[c]12[cH]3[Cr]4562([cH]1[c]6([cH]5[cH]34)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(η^6^-1,3-dimethylbenzene)chromium
• Authors of publication: Zeller, Matthias; Hunter, Allen D.; Meta, Chris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m432 - m433
• a: 6.0907 ± 0.0005 Å
• b: 12.8263 ± 0.001 Å
• c: 6.7722 ± 0.0006 Å
• α: 90°
• β: 100.029 ± 0.001°
• γ: 90°
• Cell volume: 520.97 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes