Information card for entry 2225045

Structure parameters

• Chemical name: Tricarbonyl(2-methyl-2-h^6^-phenyl-1,3-dioxolane)chromium(0)
• Formula: C13 H12 Cr O5
• Calculated formula: C13 H12 Cr O5
• SMILES: [Cr]12345([cH]6[cH]4[c]1(C1(OCCO1)C)[cH]2[cH]3[cH]56)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(2-methyl-2-η^6^-phenyl-1,3-dioxolane)chromium(0)
• Authors of publication: Duke, III, Charles B.; Ross, Charles R.; Burkey, Theodore J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m148
• a: 7.195 ± 0.0003 Å
• b: 7.212 ± 0.0003 Å
• c: 13.9235 ± 0.0006 Å
• α: 75.573 ± 0.002°
• β: 79.277 ± 0.002°
• γ: 62.734 ± 0.001°
• Cell volume: 619.79 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes