Information card for entry 4127294

Structure parameters

• Formula: C252 H312 Ag42 F18 O24 S24 Se4
• Calculated formula: C252 H312 Ag42 F18 O24 S24 Se4
• SMILES: [Ag]1234567[Ag]89%10%11%12%13%14[Ag]%15%16%17%18%19%201[Ag]1%21%22%23%242[Ag]2%25%26%2738[Ag]38%289%151[Ag]19%15%29[Ag]%30%31%32%33[Ag]%34%35%36([OH2])[Ag]%37%38%39([OH2])[Ag]%40%41%42%43[Ag]%44%45%46([O]=C(C(F)(F)F)O%41)[Ag]%41%47%48%16[Se]7%16%20%24[Ag]57%20%24[Ag]5%49%50%51[Ag]%52%53%54([OH2])[Ag]%55%56([OH2])([S]7%49%52c7ccc(cc7)C(C)(C)C)[Ag]7%49%52%57[Ag]%58%59%60([O]=C(C(F)(F)F)O%52)[Ag]%52%61%21([S]%24%49c%21ccc(cc%21)C(C)(C)C)[Se]8%21%23%27[Ag]28%23%24[Ag]2%27%49[Ag]%62%63%64([O]=C(C(F)(F)F)O2)[Ag]2%65%66([OH2])[Ag]%67%68%69([OH2])[Ag]%70%71%72%73[Ag]%74%75%76([O]=C(C(F)(F)F)O%71)[Ag]%11%17([Se]1%14%19%28[Ag]1%18%40([S]%35%39%43c%11ccc(cc%11)C(C)(C)C)[S]%32(c%11ccc(cc%11)C(C)(C)C)[Ag]3%11%21([Ag]3%30([O]=C(C(F)(F)F)O%31)([S]8%15c8ccc(cc8)C(C)(C)C)[Ag]8%14%15([OH2])[Ag]%17([OH2])([S]8%23%49c8ccc(cc8)C(C)(C)C)[Ag]%58%14([OH2])([S]%59%61%17c8ccc(cc8)C(C)(C)C)[S]3%11%15c3ccc(cc3)C(C)(C)C)[S]%60(c3ccc(cc3)C(C)(C)C)[Ag]%22%16%57([S]1%46c1ccc(cc1)C(C)(C)C)[S]7%55(c1ccc(cc1)C(C)(C)C)[Ag]%53%56([OH2])[S]%45%41%54c1ccc(cc1)C(C)(C)C)([S]%42%44%48c1ccc(cc1)C(C)(C)C)([S]%38%75(c1ccc(cc1)C(C)(C)C)[Ag]%34%37%74([OH2])[S]9%33%36c1ccc(cc1)C(C)(C)C)[S]%72(c1ccc(cc1)C(C)(C)C)[Ag]134%10([S]%47%51c4ccc(cc4)C(C)(C)C)[Ag]475([O]=C(C(F)(F)F)O%50)[Ag]2%67([OH2])([S]34%68c2ccc(cc2)C(C)(C)C)[S]%63%65(c2ccc(cc2)C(C)(C)C)[Ag]%25%62([S]7%20c2ccc(cc2)C(C)(C)C)([S]%52%27c2ccc(cc2)C(C)(C)C)[Se]16%13%26[Ag]%12%70([S]%24%64c1ccc(cc1)C(C)(C)C)([S]%29%76c1ccc(cc1)C(C)(C)C)[S]%66%69%73c1ccc(cc1)C(C)(C)C
• Title of publication: Chalcogens-Induced Ag₆Z₄@Ag₃₆ (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.
• Authors of publication: Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 31.1298 ± 0.0006 Å
• b: 35.2224 ± 0.0004 Å
• c: 33.9869 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 37265.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.2711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No