Information card for entry 7124638

Structure parameters

• Formula: C158 H178 Au24 Pd S18
• Calculated formula: C158 H178 Au24 Pd S18
• Title of publication: Structures and magnetism of mono-palladium and mono-platinum doped Au25(PET)18 nanoclusters.
• Authors of publication: Tian, Shubo; Liao, Lingwen; Yuan, Jinyun; Yao, Chuanhao; Chen, Jishi; Yang, Jinlong; Wu, Zhikun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 64
• Pages of publication: 9873 - 9876
• a: 16.1244 ± 0.0015 Å
• b: 17.6398 ± 0.0017 Å
• c: 17.7651 ± 0.0019 Å
• α: 65.152 ± 0.002°
• β: 64.342 ± 0.002°
• γ: 81.391 ± 0.004°
• Cell volume: 4129.8 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No