Information card for entry 4078779

Structure parameters

• Chemical name: [2-(Ethoxymethylidenyl)-4-methyl-4-<i>H</i>-thienopyrrole](pentacarbonyl) tungsten
• Formula: C15 H11 N O6 S W
• Calculated formula: C15 H11 N O6 S W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c1sc2c(n(cc2)C)c1
• Title of publication: Fischer Dinuclear and Mononuclear Bis-Carbene Complexes of Thiophene and Thiophene Derivatives
• Authors of publication: Lotz, Simon; van Jaarsveld, Nina A.; Liles, David C.; Crause, Chantelle; Görls, Helmar; Terblans, Yvette M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5371
• a: 7.1651 ± 0.0004 Å
• b: 11.4198 ± 0.0007 Å
• c: 11.8024 ± 0.0007 Å
• α: 65.739 ± 0.003°
• β: 82.524 ± 0.003°
• γ: 73.027 ± 0.003°
• Cell volume: 842.02 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No