Information card for entry 7005032

Structure parameters

• Formula: C11 H13 Cr N O5 S
• Calculated formula: C11 H13 Cr N O5 S
• SMILES: [Cr]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: 6.8048 ± 0.0005 Å
• b: 8.7412 ± 0.0006 Å
• c: 12.1146 ± 0.0009 Å
• α: 71.563 ± 0.001°
• β: 85.909 ± 0.001°
• γ: 81.968 ± 0.001°
• Cell volume: 676.63 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No