Information card for entry 4123925

Structure parameters

• Formula: C165 H157 Ag29 N7 O7 P4 S24
• Calculated formula: C144 H108 Ag29 P4 S24
• SMILES: [S]123c4cccc(c4)[S]4[Ag]5[S]67[Ag]89[Ag]%10%11%12%13%14%15%16%17%18%19[Ag]%20%21[S]%22%23[Ag]%24[S](c%25cccc6c%25)[Ag]2[S]2c6cccc([S]%25%26[Ag]%27%15[Ag]%15%11[S@]%11%28c%29cc(ccc%29)[S]%29[Ag]%30[S]5c5cccc([S]%31([Ag]%32%10[Ag]%10%14[S@]%14%33c%34cccc(c%34)[S]%24[Ag]2[S]2([Ag]%12%20[Ag]1%13%21)c1cccc(c1)[S]1[Ag]%26[S]%12c%13cccc([S]([Ag]8%17[Ag]9%18[S]8%30[Ag]%11([P](c9ccccc9)(c9ccccc9)c9ccccc9)[S@]9([Ag]%19%32%10)c%10cc(ccc%10)[S]([Ag]1[S]([Ag]%16%27%15)(c1cccc(c1)[S]1[Ag]%33[S]([Ag]%31[S](c%10cc8ccc%10)[Ag]91)c1cccc%23c1)[Ag]%142[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ag]%28%12)([Ag]3%25[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Ag]4%29)c%13)[Ag]7%22[P](c1ccccc1)(c1ccccc1)c1ccccc1)c5)c6
• Title of publication: Ag29(BDT)12(TPP)4: A Tetravalent Nanocluster.
• Authors of publication: AbdulHalim, Lina G.; Bootharaju, Megalamane S.; Tang, Qing; Del Gobbo, Silvano; AbdulHalim, Rasha G.; Eddaoudi, Mohamed; Jiang, De-En; Bakr, Osman M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 37
• Pages of publication: 11970 - 11975
• a: 34.2011 ± 0.0008 Å
• b: 34.2011 ± 0.0008 Å
• c: 34.2011 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 40005.5 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1644
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No