Information card for entry 4301935

Structure parameters

• Formula: C32 H72 Cl18 N2 W6
• Calculated formula: C32 H72 Cl18 N2 W6
• SMILES: [W]123([Cl][W]45([Cl][W]6([Cl][W]7([Cl][W]([Cl][W](Cl)([Cl]4)([Cl]6)[Cl]7)(Cl)([Cl]1)[Cl]5)(Cl)[Cl]2)(Cl)[Cl]3)Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion
• Authors of publication: Sonja Tragl; Markus Ströbele; Jochen Glaser; Cristian Vicent; Rosa Llusar; H.-Jürgen Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3825 - 3831
• a: 20.501 ± 0.002 Å
• b: 28.784 ± 0.003 Å
• c: 20.369 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12020 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1464
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No