Information card for entry 4128812

Structure parameters

• Formula: C208 H298 Au24 N2 Pt S18
• Calculated formula: C208 H298 Au24 N2 Pt S18
• SMILES: [S]1([Au]2[Au]3[Pt]456789%102([Au]2[S]([Au][S](CCc%11ccccc%11)[Au][S]([Au]4[Au]6[S]([Au][S](CCc4ccccc4)[Au][S]([Au]82)CCc2ccccc2)CCc2ccccc2)CCc2ccccc2)CCc2ccccc2)([Au]2[S](CCc4ccccc4)[Au][S](CCc4ccccc4)[Au][S]([Au]%10[Au]9[S](CCc4ccccc4)[Au][S]([Au][S]([Au]52)CCc2ccccc2)CCc2ccccc2)CCc2ccccc2)[Au]([S]([Au][S]([Au][S]3CCc2ccccc2)CCc2ccccc2)CCc2ccccc2)[Au]7[S]([Au][S]([Au]1)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1.C(CCCCCCC)[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.C(CCCCCCC)[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
• Title of publication: Stoichiometric Formation of Open-Shell [PtAu₂₄(SC₂H₄Ph)₁₈]^- via Spontaneous Electron Proportionation between [PtAu₂₄(SC₂H₄Ph)₁₈]^2- and [PtAu₂₄(SC₂H₄Ph)₁₈]⁰.
• Authors of publication: Suyama, Megumi; Takano, Shinjiro; Nakamura, Toshikazu; Tsukuda, Tatsuya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 36
• Pages of publication: 14048 - 14051
• a: 22.837 ± 0.005 Å
• b: 34.096 ± 0.007 Å
• c: 29.287 ± 0.007 Å
• α: 90°
• β: 90.867 ± 0.007°
• γ: 90°
• Cell volume: 22802 ± 9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No