Information card for entry 7053302

Structure parameters

• Common name: {[2-(1-piperidinyl)thiophen-5-yl]carbonyl}pentacarbonyl- tungstate(-I) tetramethylammonium salt
• Chemical name: tetramethylammonium pentacarbonyl{[2-(1-piperidinyl)thiazol- 5-yl]carbonyl}tungstate(1-)
• Formula: C18 H23 N3 O6 S W
• Calculated formula: C18 H23 N3 O6 S W
• SMILES: [W](C(=O)c1sc(nc1)N1CCCCC1)(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: 22.688 ± 0.004 Å
• b: 9.0983 ± 0.0015 Å
• c: 21.294 ± 0.003 Å
• α: 90°
• β: 92.674 ± 0.002°
• γ: 90°
• Cell volume: 4390.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No