Information card for entry 7053309

Structure parameters

• Common name: cis-dicarbonylchloro((4-methylphenyl)methylidyne)-cis- bis(pyridine)tungsten
• Chemical name: cis-dicarbonylchloro[(4-methylphenyl)methylidyne]- cis-bis(pyridine)tungsten
• Formula: C20 H17 Cl N2 O2 W
• Calculated formula: C20 H17 Cl N2 O2 W
• SMILES: [W](Cl)([n]1ccccc1)(#Cc1ccc(cc1)C)([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: 26.655 ± 0.004 Å
• b: 7.1269 ± 0.0011 Å
• c: 23.559 ± 0.004 Å
• α: 90°
• β: 121.419 ± 0.002°
• γ: 90°
• Cell volume: 3819.2 ± 1.1 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: 0.0586
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No