Information card for entry 1545292

Structure parameters

• Formula: C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12
• Calculated formula: C290 H255 Ag24 Fe6 Mo5 N O20 P12 S12
• SMILES: [Ag]12[S]3([Ag]45[S]6([Ag]7[S]8([Ag]93[O]3[Ag]%10%11[S]%12([Ag]%13[P](c%14ccccc%14)(c%14ccccc%14)[c]%14%15[Fe]%16%17%18%19%20%21%22([cH]%14[cH]%16[cH]%17[cH]%15%18)[c]%14([cH]%19[cH]%20[cH]%21[cH]%22%14)[P]([Ag]%14[S]%15([Ag]%16[S]%17([Ag]([P]([c]%18%19[cH]%20[Fe]%21%22%23%24%25%26%18([cH]%18[c]%21([P]1(c1ccccc1)c1ccccc1)[cH]%22[cH]%23[cH]%24%18)[cH]%20[cH]%25[cH]%19%26)(c1ccccc1)c1ccccc1)[O]9=[Mo](=O)([O]%11[Ag]8[P](c1ccccc1)(c1ccccc1)[c]18[cH]9[Fe]%11%18%19%20%21%221([cH]8[cH]%18[cH]9%11)[c]1([cH]%22[cH]%21[cH]%20[cH]%191)[P]([Ag]1[S]%10([Ag]89[S]%10([Ag]%11%12[O]%14=[Mo]%12(=O)[O]%14[Ag]%10[P](c%10ccccc%10)(c%10ccccc%10)[c]%10%18[Fe]%19%20%21%22%23%24%25([cH]%10[cH]%19[cH]%20[cH]%18%21)[c]%10([cH]%22[cH]%23[cH]%24[cH]%25%10)[P]([Ag]%10[S]%18([Ag]%14[S]%14%19([Ag]%20[P]([c]%21%22[cH]%23[Fe]%24%25%26%27%28%29%21([cH]%23[cH]%24[cH]%22%25)[cH]%21[c]%26([cH]%27[cH]%28[cH]%29%21)[P]([Ag]%21%14[S]([Ag]%15[O]%12%20)([Ag]%12%17[O]%144[Ag]4%19[S]%15([Ag]([P]([c]%17%19[cH]%20[Fe]%22%23%24%25%26%27%17([cH]%19[cH]%22[cH]%20%23)[cH]%17[cH]%24[c]%25([cH]%26[cH]%27%17)[P]([Ag]6[O]([Ag]%18%15[O]8=[Mo]3%14=[O]%11)[Mo](=[O]71)(=O)[O]9%10)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]5=[Mo]([O]%214)(=O)[O]2%12)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)[O]%13%16)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C.N#CC
• Title of publication: Anion-templated nanosized silver clusters protected by mixed thiolate and diphosphine.
• Authors of publication: Li, Xiao-Yu; Wang, Zhi; Su, Hai-Feng; Feng, Sheng; Kurmoo, Mohamedally; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun
• Journal of publication: Nanoscale
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3601 - 3608
• a: 22.7887 ± 0.0018 Å
• b: 27.962 ± 0.002 Å
• c: 33.377 ± 0.003 Å
• α: 69.6918 ± 0.0007°
• β: 88.7509 ± 0.0008°
• γ: 84.346 ± 0.0008°
• Cell volume: 19848 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No