Information card for entry 4077189

Structure parameters

• Chemical name: η^6^-Hexamethylbenzenechromium(0)tricarbonyl
• Formula: C15 H18 Cr O3
• Calculated formula: C15 H18 Cr O3
• SMILES: [Cr]12345([c]6([c]1([c]2([c]3([c]4([c]56C)C)C)C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures
• Authors of publication: Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 115
• a: 13.5997 ± 0.0005 Å
• b: 13.2814 ± 0.0005 Å
• c: 15.1233 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2731.62 ± 0.18 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.0722
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No