Information card for entry 1562223

Structure parameters

• Formula: C100 H46 Ag12 Au F36 N13
• Calculated formula: C100 H46 Ag12 Au F36 N13
• Title of publication: Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters
• Authors of publication: Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2021
• a: 15.4163 ± 0.0005 Å
• b: 15.5079 ± 0.0007 Å
• c: 15.5847 ± 0.0005 Å
• α: 61.591 ± 0.004°
• β: 67.904 ± 0.003°
• γ: 61.997 ± 0.004°
• Cell volume: 2837 ± 0.2 ų
• Cell temperature: 99.98 ± 0.14 K
• Ambient diffraction temperature: 99.98 ± 0.14 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: 0.0504
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No