Information card for entry 7053307

Structure parameters

• Common name: chlorodicarbonylbis(pyridine)[(2-phenylthiazol-5-yl) carbyne]tungsten(IV)
• Chemical name: cis-dicarbonylchloro[(2-phenylthiazol-5-yl)methylidyne]- cis-bis(pyridine)tungsten dichloromethane solvate
• Formula: C23 H18 Cl3 N3 O2 S W
• Calculated formula: C23 H18 Cl3 N3 O2 S W
• SMILES: [W](Cl)([n]1ccccc1)([n]1ccccc1)(#Cc1sc(nc1)c1ccccc1)(C#[O])C#[O].ClCCl
• 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: 9.1923 ± 0.0007 Å
• b: 9.285 ± 0.0008 Å
• c: 15.7035 ± 0.0013 Å
• α: 101.302 ± 0.001°
• β: 92.103 ± 0.001°
• γ: 105.72 ± 0.001°
• Cell volume: 1259.41 ± 0.18 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: 0.0257
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No