Information card for entry 2223936

Structure parameters

• Chemical name: Tricarbonyl(η^6^-flavone)chromium(0)
• Formula: C18 H10 Cr O5
• Calculated formula: C18 H10 Cr O5
• SMILES: [Cr]12345(C#[O])(C#[O])([cH]6[c]1(c1oc7c(cccc7)c(=O)c1)[cH]2[cH]5[cH]4[cH]36)C#[O]
• Title of publication: Tricarbonyl(η^6^-flavone)chromium(0)
• Authors of publication: van Tonder, Johannes H.; Bezuidenhoudt, Barend C. B.; Janse van Rensburg, J. Marthinus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1346
• a: 7.2853 ± 0.0002 Å
• b: 9.6427 ± 0.0003 Å
• c: 11.6466 ± 0.0004 Å
• α: 78.545 ± 0.001°
• β: 79.554 ± 0.001°
• γ: 70.005 ± 0.001°
• Cell volume: 747.81 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes