Information card for entry 7005030

Structure parameters

• Formula: C11 H11 Cr N O6
• Calculated formula: C11 H11 Cr N O6
• SMILES: [Cr](=C(C=C(NC)C)OC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Preparing alpha,beta-unsaturated Fischer-type carbene complexes via an unforeseen route.
• Authors of publication: Stander, Elzet; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 424 - 429
• a: 10.4705 ± 0.0007 Å
• b: 6.7453 ± 0.0005 Å
• c: 18.4712 ± 0.0013 Å
• α: 90°
• β: 93.13 ± 0.001°
• γ: 90°
• Cell volume: 1302.61 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No