Information card for entry 4127653

Structure parameters

• Formula: C15 H15 Cl3 S4 Sn W3
• Calculated formula: C15 H15 Cl3 S4 Sn W3
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[W]16782345[S]2[Sn]3(Cl)(Cl)(Cl)[S]7[W]4579%10%111([cH]1[cH]4[cH]5[cH]7[cH]91)[W]145762([cH]2[cH]1[cH]4[cH]5[cH]72)([S]3%10)[S]8%11
• Title of publication: [{(PhSn)₃SnS₆}{(MCp)₃S₄}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.
• Authors of publication: Dornsiepen, Eike; Pieck, Fabian; Tonner, Ralf; Dehnen, Stefanie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 41
• Pages of publication: 16494 - 16500
• a: 9.4238 ± 0.0004 Å
• b: 9.9348 ± 0.0004 Å
• c: 11.8329 ± 0.0005 Å
• α: 94.067 ± 0.003°
• β: 97.043 ± 0.003°
• γ: 98.806 ± 0.003°
• Cell volume: 1081.97 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No