Information card for entry 1553988

Structure parameters

• Formula: C156 H138 Au13 Cl F24 P16
• Calculated formula: C156 H138 Au13 Cl F24 P16
• SMILES: c1(ccccc1)[P]1(c2ccccc2)[Au]234[Au]56789%10[Au]%11%12%13[P](c%14ccccc%14)(c%14ccccc%14)C[P]([Au]%14[Au]%155%11[P](C[P]([Au]56[Au]%10%13%15[P](C[P](c6ccccc6)(c6ccccc6)[Au]9%12[Au]([P](C1)(c1ccccc1)c1ccccc1)[Au]138[Au]27([P](c2ccccc2)(c2ccccc2)C[P]([Au]4%14)(c2ccccc2)c2ccccc2)[Au]5[P](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Cl-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c1ccccc1
• 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: 17.4438 ± 0.0003 Å
• b: 19.0667 ± 0.0004 Å
• c: 24.5099 ± 0.0004 Å
• α: 86.385 ± 0.001°
• β: 84.399 ± 0.001°
• γ: 84.413 ± 0.001°
• Cell volume: 8062.6 ± 0.3 ų
• Cell temperature: 93 ± 0.1 K
• Ambient diffraction temperature: 93 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No