Information card for entry 1545006

Structure parameters

• Formula: C252 H330 Ag28 P4 Pt S18
• Calculated formula: C252 H330 Ag28 P4 Pt S18
• SMILES: [Ag]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]3([Ag]45[Ag]6([S]5C57CC8CC(C5)CC(C7)C8)[S]57([Ag]8([P](c9ccccc9)(c9ccccc9)c9ccccc9)[S]9([Ag]%105[Ag]5([S]%11%12([Ag]%13([P](c%14ccccc%14)(c%14ccccc%14)c%14ccccc%14)[S]%14([Ag]%15%16[Ag]%17([S]%181([Ag]1[Ag]%19([Ag]%20%21%22%23%24[Ag]%25%26%27%18[Ag]%18%28%29([Ag]3%30%31%26[Ag]3%26%32%33%23[Ag]%23%34[Ag]([S]%34C%34%35CC%36CC(C%34)CC(C%35)C%36)[S]68([Ag]68%31%26[Ag]%26%317%29[Ag]7%29%18([Ag]%18%14%21%27[Ag]%14%21%127[Ag]7%12%223([Ag]3([Ag]%11[S]3C3%11CC%22CC(C3)CC(C%11)C%22)[S]%12([Ag]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S]%32%23C3%11CC%12CC(C3)CC(C%11)C%12)[S]%19%20C3%11CC%12CC(C3)CC(C%11)C%12)C3%11CC%12CC(C3)CC(C%11)C%12)[Ag]96%26%14[Pt]%24%25%28%30%338%31%29%18%217)[S]5%13%16C35CC6CC(CC(C3)C6)C5)C35CC6CC(C3)CC(C5)C6)[S]24%17C23CC4CC(C2)CC(C3)C4)[S]1C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)[S]%15C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)[S]%10C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3)C12CC3CC(C1)CC(C2)C3
• Title of publication: The tetrahedral structure and luminescence properties of Bi-metallic Pt1Ag28(SR)18(PPh3)4 nanocluster
• Authors of publication: Kang, Xi; Zhou, Meng; Wang, Shuxin; Jin, Shan; Sun, Guodong; Zhu, Manzhou; Jin, Rongchao
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2581
• a: 50.8135 ± 0.0018 Å
• b: 29.3497 ± 0.0008 Å
• c: 49.1614 ± 0.0016 Å
• α: 90°
• β: 110.274 ± 0.004°
• γ: 90°
• Cell volume: 68775 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No