Information card for entry 4127015

Structure parameters

• Formula: C4 H22 B20 S2
• Calculated formula: C4 H22 B20 S2
• SMILES: S(S[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]456[BH]678[BH]791[BH]1%102[BH]467[BH]%11351)[C]1234[CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]273[BH]348[BH]482[BH]567[BH]1%114[BH]9%1038
• Title of publication: Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.
• Authors of publication: Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 23.5545 ± 0.0007 Å
• b: 6.98845 ± 0.00019 Å
• c: 11.5542 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1901.93 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No