Information card for entry 7704626

Structure parameters

• Formula: C19 H12 Ag F3 Hg N2 O3 S
• Calculated formula: C19 H12 Ag F3 Hg N2 O3 S
• SMILES: [Hg]12[Ag]([n]3cccc4cccc1c34)([n]1cccc3cccc2c13)OS(=O)(=O)C(F)(F)F
• Title of publication: Metallophilic interactions: observations of the shortest metallophilicinteractions between closed shell (d¹⁰d¹⁰, d¹⁰d⁸, d⁸d⁸) metal ions [MM' M = Hg(ii) and Pd(ii) and M' = Cu(i), Ag(i), Au(i), and Pd(ii)].
• Authors of publication: Raju, Saravanan; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 9099 - 9117
• a: 11.9206 ± 0.0003 Å
• b: 12.2385 ± 0.0003 Å
• c: 13.1387 ± 0.0003 Å
• α: 90°
• β: 101.168 ± 0.002°
• γ: 90°
• Cell volume: 1880.51 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No