Information card for entry 2226092

Structure parameters

• Chemical name: Pentacarbonyl(imidazolidine-2-thione)tungsten(0)
• Formula: C8 H6 N2 O5 S W
• Calculated formula: C8 H6 N2 O5 S W
• SMILES: [W]([S]=C1NCCN1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl(imidazolidine-2-thione-κ<i>S</i>)tungsten(0)
• Authors of publication: Merniz, Salah; Mokhtari, Mahiedine; Mousser, Hénia; Ouahab, Lahcène; Mousser, Abdelhamid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m629 - m630
• a: 6.652 ± 0.001 Å
• b: 7.812 ± 0.0012 Å
• c: 11.624 ± 0.0015 Å
• α: 84.071 ± 0.005°
• β: 85.042 ± 0.006°
• γ: 87.704 ± 0.007°
• Cell volume: 598.27 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes