Information card for entry 7005033

Structure parameters

• Common name: Complex 3b
• Formula: C11 H13 N O5 S W
• Calculated formula: C11 H13 N O5 S W
• SMILES: [W]1([S](C(C=1OC)=C(NC)C)C)(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: 9.0563 ± 0.0006 Å
• b: 17.9987 ± 0.0011 Å
• c: 9.3987 ± 0.0006 Å
• α: 90°
• β: 112.183 ± 0.001°
• γ: 90°
• Cell volume: 1418.61 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No