Information card for entry 1572603

Structure parameters

• Formula: C165 H145.17 Au13 Cl2 N20 Na0.67 O24.42
• Calculated formula: C165 H136.333 Au13 Cl2 N20 Na0.6667 O24.4167
• Title of publication: Synthesis and crystallization of a carboxylate functionalized N-heterocyclic carbene-based Au13 cluster with strong photo-luminescence
• Authors of publication: Yuan, Xiting; Ye, Zichen; Malola, Sami; Shekhah, Osama; Jiang, Hao; Hu, Xinyan; Wang, Jian-Xin; Wang, Hong; Shkurenko, Aleksander; Jia, Jiangtao; Guillerm, Vincent; Mohammed, Omar F.; Chen, Xiaolan; Zheng, Nanfeng; Häkkinen, Hannu; Eddaoudi, Mohamed
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 26.064 ± 0.001 Å
• b: 27.538 ± 0.001 Å
• c: 35.319 ± 0.001 Å
• α: 90°
• β: 91.118 ± 0.002°
• γ: 90°
• Cell volume: 25345.4 ± 1.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No