Information card for entry 1559983

Structure parameters

• Formula: C298 H333 Ag22 B2 Fe3 P6 S12
• Calculated formula: C298 H333 Ag22 B2 Fe3 P6 S12
• SMILES: [Ag]123456789%10%11[Ag]%12%13%14%15%16[Ag]%17%18%19%201[Ag]1%21%224[Ag]4%23%24%255[Ag]5%26%277[Ag]7%28%293([Ag]3%30%31%322[Ag]6%171([Ag]8%1273[S]1([Ag]2([Ag]%191[S]%20C13CC6CC(C3)CC(C1)C6)([S]%16([Ag]%15%28[S]%29C13CC6CC(C1)CC(C6)C3)C13CC6CC(C1)CC(C3)C6)[P](c1ccccc1)([c]13[cH]6[Fe]78%12%15%16%171([c]1([cH]7[cH]%17[cH]%16[cH]%121)[P]2(c1ccccc1)c1ccccc1)[cH]3[cH]8[cH]6%15)c1ccccc1)C12CC3CC(C2)CC(C1)C3)[S]([Ag]12[Ag]%10%21%235%30[S]2([Ag]21([S]%32([Ag]%31[S]%27C13CC5CC(CC(C1)C5)C3)C13CC5CC(C3)CC(C1)C5)[P]([c]13[Fe]5678%10%12%15([cH]%16[cH]5[cH]8[cH]7[c]6%16[P]2(c2ccccc2)c2ccccc2)[cH]1[cH]%12[cH]%15[cH]3%10)(c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C2)C3)C12CC3CC(CC(C3)C2)C1)[Ag]1%11%14%26[Ag]9%13%184[S]2([Ag]([Ag]32([S]%25([Ag]%24[S]1C12CC4CC(C1)CC(C2)C4)C12CC4CC(C1)CC(C2)C4)[P](c1ccccc1)(c1ccccc1)[c]12[cH]4[Fe]56789%101([c]1([P]3(c3ccccc3)c3ccccc3)[cH]5[cH]8[cH]6[cH]71)[cH]2[cH]%10[cH]49)[S]%22C12CC3CC(CC(C1)C3)C2)C12CC3CC(C1)CC(C2)C3.c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C.c1(ccccc1)C.Cc1ccccc1.c1ccc(cc1)C
• Title of publication: New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts
• Authors of publication: Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3660 - 3667
• a: 21.412 ± 0.0002 Å
• b: 27.2727 ± 0.0003 Å
• c: 29.7612 ± 0.0003 Å
• α: 79.123 ± 0.001°
• β: 70.493 ± 0.001°
• γ: 66.956 ± 0.001°
• Cell volume: 15040.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No