Information card for entry 2203491

Structure parameters

• Common name: Tricarbonyl(η^6^-1,3-dimethoxybenzene)chromium
• Formula: C11 H10 Cr O5
• Calculated formula: C11 H10 Cr O5
• SMILES: [cH]12[c]3([Cr]4562([c]1([cH]4[cH]5[cH]36)OC)(C#[O])(C#[O])C#[O])OC
• Title of publication: Tricarbonyl(η^6^-1,3-dimethoxybenzene)chromium
• Authors of publication: Zeller, Matthias; Hunter, Allen D.; Takas, Nathan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m434 - m435
• a: 11.5948 ± 0.0019 Å
• b: 13.44 ± 0.002 Å
• c: 13.046 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2033 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes