Information card for entry 4301936

Structure parameters

• Formula: C24 H56 Cl18 N2 W6
• Calculated formula: C24 H56 Cl18 N2 W6
• SMILES: C(CC)[N+](CCC)(CCC)CCC.[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(CC)[N+](CCC)(CCC)CCC
• 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: 8.7736 ± 0.0009 Å
• b: 12.6243 ± 0.0011 Å
• c: 12.7549 ± 0.0012 Å
• α: 64.763 ± 0.01°
• β: 79.185 ± 0.011°
• γ: 85.268 ± 0.011°
• Cell volume: 1255.2 ± 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: 0.0296
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No