Information card for entry 2212960

Structure parameters

• Chemical name: Tricarbonyl[η^6^-1-methyl-4-(trimethylsilyl)benzene]chromium(0)
• Formula: C13 H16 Cr O3 Si
• Calculated formula: C13 H16 Cr O3 Si
• SMILES: [Cr]12345([c]6([Si](C)(C)C)[cH]1[cH]2[c]3([cH]4[cH]56)C)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl[η^6^-1-methyl-4-(trimethylsilyl)benzene]chromium(0)
• Authors of publication: Haghiri, Alireza; Lerner, Hans-Wolfram; Bats, Jan W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1133 - m1134
• a: 6.8929 ± 0.0016 Å
• b: 17.747 ± 0.003 Å
• c: 11.848 ± 0.003 Å
• α: 90°
• β: 101.19 ± 0.02°
• γ: 90°
• Cell volume: 1421.8 ± 0.6 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes