Information card for entry 2202949

Structure parameters

• Formula: C27 H22 Cr O7
• Calculated formula: C27 H22 Cr O7
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)C1=C(OCC)C=C(C1c1ccccc1)c1ccccc1
• Title of publication: Pentacarbonyl[ethoxy(2-ethoxy-4,5-diphenyl-1,3-cyclopentadienyl)carbene]chromium(0)
• Authors of publication: Hansen, Lars Kr.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m703 - m704
• a: 10.174 ± 0.004 Å
• b: 12.653 ± 0.003 Å
• c: 19.559 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2517.9 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes