Information card for entry 7053303

Structure parameters

• Common name: [Methoxy(2-phenylthiazol-5-yl)carbene]pentacarbonyltungsten(0)
• Chemical name: Pentacarbonyl[methoxy(2-phenylthiazol-5-yl)methylidene]tungsten
• Formula: C16 H9 N O6 S W
• Calculated formula: C16 H9 N O6 S W
• SMILES: [W](=C(OC)c1sc(nc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Fischer-type tungsten acyl (carbeniate), carbene and carbyne complexes bearing C5-attached thiazolyl substituents: interaction with gold(i) fragments
• Authors of publication: Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 458
• a: 17.336 ± 0.002 Å
• b: 26.055 ± 0.003 Å
• c: 7.4114 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3347.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No