Information card for entry 4125512

Structure parameters

• Formula: C480 H582 Ag50 P12 S30
• Calculated formula: C480 H582 Ag50 P12 S30
• SMILES: c1(ccc(cc1)C(C)(C)C)C[S]12[Ag]34[Ag]567[Ag]89%10%11[Ag]%12%13%14%15[Ag]%16%173[Ag]3%18%196[Ag]6%20%21[S]%22([Ag]%2359[S]59([Ag]%24%25%10[S]%10([Ag]%265[P](c5ccccc5)(c5ccccc5)C[P]([Ag]9[S](Cc5ccc(cc5)C(C)(C)C)[Ag]%13[S]5([Ag]9[S]%26([Ag]%138[S](Cc8ccc(cc8)C(C)(C)C)[Ag]8[P](c%26ccccc%26)(c%26ccccc%26)C[P]([Ag]%26%27[S]9(Cc9ccc(cc9)C(C)(C)C)[Ag]9[S]([Ag]%28[P](c%29ccccc%29)(C[P]([Ag]5([S](Cc5ccc(cc5)C(C)(C)C)([Ag]17%12)[Ag]%22)[S]%28(Cc1ccc(cc1)C(C)(C)C)[Ag]1%17[Ag]5%14[Ag]7%12%14[S]%17([Ag]%22%285[S]5%29([Ag]%30([S]([Ag]2)([Ag]25[P](c5ccccc5)(c5ccccc5)C[P]([Ag]%29[S](Cc5ccc(cc5)C(C)(C)C)[Ag]5[S]%29([Ag]%31[S]2([Ag]2%19[S](Cc%19ccc(cc%19)C(C)(C)C)[Ag]%19[S]4%20(Cc4ccc(cc4)C(C)(C)C)[Ag]4([S]%21([Ag][S]%24(Cc%20ccc(cc%20)C(C)(C)C)[Ag]%20%21[Ag]6%23[Ag]6%23%185[Ag]%16%28%302[Ag]25%22[Ag]%15%139%14[Ag]%11%25%216[Ag]2([S](Cc2ccc(cc2)C(C)(C)C)([Ag]%235[S](Cc2ccc(cc2)C(C)(C)C)([Ag]2%29[S]%20(Cc5ccc(cc5)C(C)(C)C)[Ag]([S](Cc5ccc(cc5)C(C)(C)C)[Ag]3[S]%314Cc3ccc(cc3)C(C)(C)C)[P](c3ccccc3)(c3ccccc3)C[P]2(c2ccccc2)c2ccccc2)[Ag]%17)[Ag]%10)[S]8%267Cc2ccc(cc2)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)[P](c2ccccc2)(c2ccccc2)C[P]%19(c2ccccc2)c2ccccc2)Cc2ccc(cc2)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)(c2ccccc2)c2ccccc2)Cc2ccc(cc2)C(C)(C)C)[S]1(Cc1ccc(cc1)C(C)(C)C)[Ag][S]%27%12Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1)c1ccccc1)Cc1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C
• Title of publication: Ag50(Dppm)6(SR)30 and Its Homologue AuxAg50-x(Dppm)6(SR)30 Alloy Nanocluster: Seeded Growth, Structure Determination, and Differences in Properties.
• Authors of publication: Du, Wenjun; Jin, Shan; Xiong, Lin; Chen, Man; Zhang, Jun; Zou, Xuejuan; Pei, Yong; Wang, Shuxin; Zhu, Manzhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 4
• Pages of publication: 1618 - 1624
• a: 26.2512 ± 0.0012 Å
• b: 26.6936 ± 0.0012 Å
• c: 26.7376 ± 0.0012 Å
• α: 76.576 ± 0.002°
• β: 60.718 ± 0.002°
• γ: 61.726 ± 0.002°
• Cell volume: 14392.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.093
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No