Information card for entry 1552147

Structure parameters

• Formula: C232 H306 Ag28 B2 O P4 Pt S18
• Calculated formula: C232 H305 Ag28 B2 O P4 Pt S18
• SMILES: [Pt]123456789%10%11[Ag]%12%13%14%15[Ag]%16%17%183[Ag]3%19%204[Ag]4%21%222[S]2%23([Ag]%24[S]([Ag]3[S]3%17([Ag]%17%16[S]([Ag]%16[S]%25%12([Ag]%12([S]%26([Ag]%27%28%10%14%16[Ag]%10%141[Ag]1%165%27[S]5([Ag]%27([Ag]%10([S]%19([Ag]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]%17%14C3CCCCC3)C3CCCCC3)[S]%27C3CCCCC3)[Ag]36%2041[Ag]1469[Ag]9%10%14%177[Ag]8%13%18%21%24[S]7([Ag]%14[S]([Ag]%15%25[S]%12([Ag]%11%2819[Ag]1%26[Ag]%165([S]6([Ag]([S]3([Ag]4[S]([Ag]%222%10[S]%17([Ag]%237[P](c2ccccc2)(c2ccccc2)c2ccccc2)C2CCCCC2)C2CCCCC2)C2CCCCC2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)C2CCCCC2)[S]1C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reversible nanocluster structure transformation between face-centered cubic and icosahedral isomers
• Authors of publication: Kang, Xi; Huang, Li; Liu, Wei; Xiong, Lin; Pei, Yong; Sun, Zhihu; Wang, Shuxin; Wei, Shiqiang; Zhu, Manzhou
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 21.778 ± 0.006 Å
• b: 40.485 ± 0.01 Å
• c: 30.75 ± 0.008 Å
• α: 90°
• β: 99.764 ± 0.003°
• γ: 90°
• Cell volume: 26719 ± 12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No