Information card for entry 2230293

Structure parameters

• Common name: Pentacarbonyl(acetonitrile)tungsten(0)
• Chemical name: (Acetonitrile-κ<i>N</i>)pentacarbonyltungsten(0)
• Formula: C7 H3 N O5 W
• Calculated formula: C7 H3 N O5 W
• SMILES: [W]([N]#CC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: (Acetonitrile-κ<i>N</i>)pentacarbonyltungsten(0)
• Authors of publication: Strasser, Christoph E.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m772
• a: 5.6485 ± 0.0006 Å
• b: 13.6231 ± 0.0015 Å
• c: 12.8642 ± 0.0015 Å
• α: 90°
• β: 101.883 ± 0.002°
• γ: 90°
• Cell volume: 968.69 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0545
• 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: Yes