Information card for entry 7053306

Structure parameters

• Common name: Chlorodicarbonylbis(pyridine)[2-(1-piperidinyl)thiazol-5- ylcarbyne]tungsten(IV)'
• Chemical name: cis-dicarbonylchloro{[2-(1-piperidinyl)thiazol-5- yl]methylidyne}-cis-bis(pyridine)tungsten
• Formula: C21 H21 Cl N4 O2 S W
• Calculated formula: C21 H21 Cl N4 O2 S W
• SMILES: [W](Cl)(#Cc1sc(nc1)N1CCCCC1)([n]1ccccc1)([n]1ccccc1)(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: 8.657 ± 0.002 Å
• b: 8.917 ± 0.002 Å
• c: 16.718 ± 0.004 Å
• α: 98.687 ± 0.004°
• β: 96.49 ± 0.004°
• γ: 118.054 ± 0.003°
• Cell volume: 1100.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No