Information card for entry 1553986

Structure parameters

• Formula: C150 H132 Au13 Cl5 P12
• Calculated formula: C150 H132 Au13 Cl5 P12
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au]234[Au]56789%10%11%12%13%14[Au]%15%162([P](c2ccccc2)(c2ccccc2)C1)[Au]12%175[P](c5ccccc5)(c5ccccc5)C[P](c5ccccc5)(c5ccccc5)[Au]%10%162[Au]25%14[P](c%10ccccc%10)(c%10ccccc%10)C[P]([Au]%10%1495[Au]597([P](c7ccccc7)(c7ccccc7)C[P](c7ccccc7)(c7ccccc7)[Au]4%12%145)[Au]482%10[P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Au]%1394[Au]2%11%17[P](c4ccccc4)(c4ccccc4)C[P]([Au]36%1512)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au₁₃ and heart-shaped Au₈ clusters.
• Authors of publication: Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1251 - 1258
• a: 19.878 ± 0.002 Å
• b: 19.878 ± 0.002 Å
• c: 27.361 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9362.8 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No