Information card for entry 7053300

Structure parameters

• Common name: Tetramethylammonium pentacarbonyl((2-phenylthiazol-5- yl)carbonyl)tungstate(1-)
• Chemical name: Tetramethylammonium pentacarbonyl[(2-phenylthiazol-5- yl)carbonyl]tungstate(1-)
• Formula: C19 H18 N2 O6 S W
• Calculated formula: C19 H18 N2 O6 S W
• SMILES: [W](C(=O)c1sc(nc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[N+](C)(C)(C)C
• 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: 12.602 ± 0.001 Å
• b: 19.3023 ± 0.0015 Å
• c: 34.983 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8509.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No