Information card for entry 4100595

Structure parameters

• Common name: 1-(dimesitylfluoroborato)-8-(pentafluorophenylmercury) naphthalenediyl-tris(dimethylamino)sulfonium
• Formula: C40 H46 B F6 Hg N3 S
• Calculated formula: C40 H46 B F6 Hg N3 S
• SMILES: [Hg]1([F][B](c2cccc3cccc1c23)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F.[S](=[N+](C)C)(N(C)C)N(C)C
• Title of publication: Crystal and molecular structure of ca170105
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 18.922 ± 0.004 Å
• b: 10.186 ± 0.002 Å
• c: 20.927 ± 0.004 Å
• α: 90°
• β: 106.838 ± 0.003°
• γ: 90°
• Cell volume: 3860.5 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No