Information card for entry 4127654

Structure parameters

• Formula: C33 H30 Cl0 S10 Sn4 W3
• Calculated formula: C33 H30 S10 Sn4 W3
• SMILES: [cH]12[cH]3[cH]4[W]5678913([S]1[W]3%10%11%12%13%147([S]7[W]%15%16%17%188%12([S]53)([cH]3[cH]%15[cH]%16[cH]%17[cH]%183)[S]9[Sn]3517S[Sn]1(c7ccccc7)S[Sn](c7ccccc7)(S3)S[Sn](c3ccccc3)(S5)S1)[cH]1[cH]%10[cH]%11[cH]%13[cH]%141)[cH]4[cH]26
• 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: 12.7792 ± 0.0001 Å
• b: 12.7792 ± 0.0001 Å
• c: 32.6497 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4617.61 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No