Information card for entry 4301934

Structure parameters

• Formula: C16 H40 Cl18 N2 W6
• Calculated formula: C16 H40 Cl18 N2 W6
• SMILES: C(C)[N+](CC)(CC)CC.[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.C(C)[N+](CC)(CC)CC
• 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: 8.625 ± 0.0008 Å
• b: 11.6527 ± 0.0011 Å
• c: 11.9123 ± 0.0011 Å
• α: 61.066 ± 0.01°
• β: 86.528 ± 0.011°
• γ: 84.432 ± 0.011°
• Cell volume: 1042.7 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No