Information card for entry 4001531

Structure parameters

• Formula: C84 H102 P6 S32 W6
• Calculated formula: C83.96 H96 P6 S32 W6
• Title of publication: W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks
• Authors of publication: Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 4296
• a: 23.659 ± 0.003 Å
• b: 23.659 ± 0.002 Å
• c: 16.9604 ± 0.0018 Å
• α: 90 ± 0.003°
• β: 90 ± 0.003°
• γ: 120 ± 0.003°
• Cell volume: 8221.7 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No