Information card for entry 2223935

Structure parameters

• Chemical name: Tricarbonyl(η^6^-4',7-dimethoxyisoflavone)chromium(0)
• Formula: C20 H14 Cr O7
• Calculated formula: C20 H14 Cr O7
• SMILES: [Cr]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)OC)c1coc2cc(ccc2c1=O)OC)(C#[O])(C#[O])C#[O]
• Title of publication: Tricarbonyl(η^6^-4',7-dimethoxyisoflavone)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: m1343
• a: 12.3454 ± 0.0007 Å
• b: 17.9984 ± 0.0008 Å
• c: 7.9988 ± 0.0004 Å
• α: 90°
• β: 103.733 ± 0.002°
• γ: 90°
• Cell volume: 1726.5 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes