Information card for entry 7712046

Structure parameters

• Formula: C120 H221 Ag15 Cu12 O6 S18
• Calculated formula: C120 H221 Ag15 Cu12 O6 S18
• SMILES: [Ag]12345[Ag]6789[Ag]%10%11%12%13[Ag]%14%15%161[Ag]1%17%18[Ag]%19%20%21%22[Ag]%23%24%253[Ag]3[S]%13([Cu]%13%26[Cu]%27([S]%28([Ag]%29%306%10[Ag]6%10%28[Ag]%28%31%32%33[Ag]%34%35%36%37[Ag]%38%3921[Ag]1%19%34[S]%37([Cu]2%19[Cu]([S]%10%33C%10CCCCC%10)([S]%36([Cu]%10%33%35[Ag]7%146%28[S]%10([Cu]%15%29([S]%13%30C6CCCCC6)[S]%16([Cu]%17%23([S]%24([Cu]6([Cu]([S]%21([Cu]74%20[S]5([Cu]8%11([S]%12%27C4CCCCC4)[S]9([Cu]%31%38([S]%322C2CCCCC2)[S]%397C2CCCCC2)C2CCCCC2)C2CCCCC2)C2CCCCC2)([S]%253C2CCCCC2)[O]=C(O6)C)[S]%221C1CCCCC1)C1CCCCC1)[S]%18%33C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[O]=C(O%19)C)C1CCCCC1)C1CCCCC1)[O]=C(O%26)C)C1CCCCC1.C(C)CCCC
• Title of publication: A bimetallic Ag₁₅Cu₁₂(S-<i>c</i>-C₆H₁₁)₁₈(CH₃COO)₃ nanocluster featuring an irregular Ag₁₂ kernel.
• Authors of publication: Lin, Zhenzhen; Zhang, Ting; Fang, Cao; Jin, Shan; Xu, Chang; Hu, Daqiao; Zhu, Manzhou
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 971 - 976
• a: 17.488 ± 0.0012 Å
• b: 17.6703 ± 0.0012 Å
• c: 30.473 ± 0.002 Å
• α: 90.275 ± 0.005°
• β: 96.68 ± 0.005°
• γ: 93.511 ± 0.005°
• Cell volume: 9334.6 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1997
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No