Information card for entry 4327136

Structure parameters

• Formula: C112 H64 Ag17 O32 S17
• Calculated formula: C112 H64 Ag17 O32 S17
• SMILES: [Ag]12[S]3(c4ccccc4C(=O)[O-])[Ag]45[Ag]67[S](c8ccccc8C(=O)[O-])[Ag]38[S]3([Ag]9[S](c%10ccccc%10C(=O)[O-])[Ag][S]%10([Ag]%11([Ag]%12%13[S]%11(c%11ccccc%11C(=O)O%11)[Ag]%14%11[S](c%11ccccc%11C(=O)[O-])[Ag]%11%15[Ag]%16%17([S]%15(c%15ccccc%15C(=O)[O-])[Ag]%15%18[S]7([Ag]73[S]5%12%16[Ag]3[S]%15(c5ccccc5C(=O)[O-])[Ag]([S](c5ccccc5C(=O)[O-])[Ag]5%10[S]73c3ccccc3C(=O)O5)[S]%13%11c3ccccc3C(=O)[O-])c3ccccc3C(=O)O%18)[S]4%14([Ag][S]1c1ccccc1C(=O)[O-])c1ccccc1C(=O)[O]6%17)[S]29c1ccccc1C(=O)[O-])c1ccccc1C(=O)[O-])c1ccccc1C(=O)O8
• Title of publication: Anionic Heptadecanuclear Silver(I) Cluster Constructed from in Situ Generated 2-Mercaptobenzoic Acid and a Sulfide Anion
• Authors of publication: Di Sun; Fu-Jing Liu; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12393 - 12395
• a: 16.8114 ± 0.0012 Å
• b: 29.958 ± 0.0019 Å
• c: 33.691 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16968 ± 1.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No