Information card for entry 7026294

Structure parameters

• Common name: Octacarbonyl-(thiophene-2,3,4,5-tetra(ethoxymethylidenyl)-ditungsten(0)
• Chemical name: 3,3,3,3,6,6,6,6-Octacarbonyl-2,4,5,7-tetraethoxy-3,6-ditungsta(0) bi(cyclopentatrieno)[b,d]thiophene
• Formula: C24 H20 O12 S W2
• Calculated formula: C24 H20 O12 S W2
• SMILES: [W]1(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c2sc3C(=[W](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c3c2C=1OCC)OCC
• Title of publication: Thiophene decorated with Fischer carbene ligands.
• Authors of publication: van Jaarsveld, Nina A.; Liles, David C.; Lotz, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5777 - 5779
• a: 7.0967 ± 0.0017 Å
• b: 12.537 ± 0.003 Å
• c: 17.225 ± 0.004 Å
• α: 101.65 ± 0.004°
• β: 100.894 ± 0.004°
• γ: 95.156 ± 0.004°
• Cell volume: 1460.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No