Information card for entry 4301937

Structure parameters

• Formula: Cl18 K2 W6
• Calculated formula: Cl18 K2 W6
• SMILES: [W]123([Cl][W]45([Cl][W]67([Cl][W]([Cl][W]([Cl]1)([Cl]6)([Cl]4)Cl)([Cl][W]([Cl]7)([Cl]2)([Cl]5)Cl)([Cl]3)Cl)Cl)Cl)Cl.[K+].[K+]
• 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: 9.3223 ± 0.0009 Å
• b: 9.3223 ± 0.0009 Å
• c: 8.4528 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 636.18 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 162
• Hermann-Mauguin space group symbol: P -3 1 m
• Hall space group symbol: -P 3 2
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No