Information card for entry 4515046

Structure parameters

• Formula: C150 H134 Ag2 Au8 Cl2 O P8 Pd
• Calculated formula: C150 H134 Ag2 Au8 Cl2 O P8 Pd
• SMILES: [Au]12345([Au]678([Au]9%10%11([Au]%12%13%14%15([Au]%16%17%181([Au]1%192([Au]36([Pd]258%11%15%18%19([Au]9%12([Ag]%14%1712Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ag]47%10%13%16Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CC(C)OC(C)C
• Title of publication: Synthesis of Trimetallic (HPd@M₂Au₈)³⁺ Superatoms (M = Ag, Cu) via Hydride-Mediated Regioselective Doping to (Pd@Au₈)².
• Authors of publication: Hirai, Haru; Takano, Shinjiro; Tsukuda, Tatsuya
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 7070 - 7075
• a: 22.158 ± 0.003 Å
• b: 18.75 ± 0.002 Å
• c: 34.486 ± 0.005 Å
• α: 90°
• β: 97.785 ± 0.003°
• γ: 90°
• Cell volume: 14196 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No