Information card for entry 4127655

Structure parameters

• Formula: C33 H30 Cl Mo3 S9 Sn4
• Calculated formula: C33 H30 Mo3 S10 Sn4
• SMILES: c1(ccccc1)[Sn]12S[Sn]3(c4ccccc4)S[Sn](c4ccccc4)(S2)S[Sn]24(S1)([S]1[Mo]56789%10%11([CH]%12[cH]5[cH]6[cH]7[cH]8%12)[S]5[Mo]678%12%13%10([cH]%10[cH]6[cH]7[cH]8[cH]%12%10)([S]29)[S]4[Mo]24671%115%13[cH]1[cH]2[cH]4[cH]6[cH]71)S3
• 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: 12.9068 ± 0.0001 Å
• b: 12.9068 ± 0.0001 Å
• c: 32.3654 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4669.27 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No