Information card for entry 4003321

Structure parameters

• Formula: C176 H328 Ag62 B2 S45
• Calculated formula: C176 H328 Ag62 B2 S45
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.S12345[Ag]67[S]89%10[Ag]%11[S]%12%13%14%15[Ag]1[S]1%16%17%18[Ag]8[S]8%19%20%21[Ag]2[S]2%22%23%24[Ag]%16[S]%16%25%26%27[Ag]%283[S]3%29%30[Ag]2[S]2%31%32%33[Ag]68[S]68%347[Ag]7[S]%35([Ag][S]%36([Ag]%19[S]%19(C(C)(C)C)[Ag][S]%37(C(C)(C)C)[Ag]%381[S](C(C)(C)C)([Ag]%12)[Ag]%19[S]1(C(C)(C)C)[Ag][S]([Ag]%20)(C(C)(C)C)[Ag]%126[S](C(C)(C)C)([Ag]9)[Ag]69[S]%19%20%39%11[Ag]5[S]5%11%40([Ag]3[S]3%41([Ag]42)([Ag]24[S](C(C)(C)C)([Ag]3[S]9(C(C)(C)C)[Ag][S]7%12C(C)(C)C)[Ag][S]3([Ag]5[S]5([Ag][S](C(C)(C)C)([Ag]%25[S]7(C(C)(C)C)[Ag]9%26[S](C(C)(C)C)([Ag]%29)[Ag]%22([S](C(C)(C)C)([Ag]%17%37)[Ag]7)[S]7(C(C)(C)C)[Ag]%23[S](C(C)(C)C)([Ag]%31[S](C(C)(C)C)([Ag][S]4(C(C)(C)C)[Ag]8)[Ag]%33%35[S](C(C)(C)C)([Ag]%24)[Ag]%21%36[S](C(C)(C)C)([Ag]%18)[Ag]7)[Ag]%30[S](C(C)(C)C)([Ag][S]9([Ag]%11)C(C)(C)C)[Ag]3[S]2(C(C)(C)C)[Ag]%32)[Ag]2%15[S](C(C)(C)C)([Ag]%20)[Ag]%405[S](C(C)(C)C)([Ag][S]6(C(C)(C)C)[Ag]%19[S](C(C)(C)C)([Ag]%101)[Ag]%14[S]2(C(C)(C)C)[Ag][S]%38(C(C)(C)C)[Ag]%27)[Ag]%41)C(C)(C)C)C(C)(C)C)[Ag]%34%39)[Ag]%13%16%28)C(C)(C)C)C(C)(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Two Electron Reduction: From Quantum Dots to Metal Nanoclusters
• Authors of publication: Jin, Shan; Wang, Shuxin; Xiong, Ling; Zhou, Meng; Chen, Shuang; Du, Wenjun; Xia, Andong; Pei, Yong; Zhu, Manzhou
• Journal of publication: Chemistry of Materials
• Year of publication: 2016
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 7905
• a: 21.5488 ± 0.0017 Å
• b: 21.6774 ± 0.0017 Å
• c: 22.0348 ± 0.0018 Å
• α: 88 ± 0.001°
• β: 64.954 ± 0.001°
• γ: 60.919 ± 0.0012°
• Cell volume: 7957.5 ± 1.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No