Information card for entry 4327435

Structure parameters

• Formula: C19 H21 Co O S4 W3
• Calculated formula: C19 H21 Co O S4 W3
• SMILES: [W]123456789([W]%10%11%12%13%14%15%16%17([W]%18%19%20%21%22%231([Co]2%10([S]4%12)([S]5%18)([S]%13%19)C#[O])([S]3%11)[c]1([cH]%23[cH]%22[cH]%21[cH]%201)C)[c]1([cH]%14[cH]%15[cH]%16[cH]%171)C)[c]1([cH]6[cH]7[cH]8[cH]91)C
• Title of publication: Synthesis of the New, Cubane-like W3S4Co Cluster Core. Completion of the Homologous Series [(η5-Cp')3M3S4Co(CO)] (M = Cr, Mo, W)
• Authors of publication: Konrad Herbst; Lutz Dahlenburg; Michael Brorson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3327 - 3328
• a: 8.15 ± 0.002 Å
• b: 18.309 ± 0.003 Å
• c: 15.111 ± 0.004 Å
• α: 90°
• β: 91.85 ± 0.02°
• γ: 90°
• Cell volume: 2253.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No