Information card for entry 7714183

Structure parameters

• Formula: C15 H13 Au N2 Te
• Calculated formula: C15 H13 Au N2 Te
• SMILES: [Te+](c1ccccc1)(c1ccccc1)C.[Au](C#N)C#N
• Title of publication: Synthesis, X-ray Characterization and DFT analysis of Dicyanidoaurate Telluronium salts: on the importance of charge assisted chalcogen bonds
• Authors of publication: Ghinato, Simone; Giordana, Alessia; Diana, Eliano; Gomila, Rosa Maria; Priola, Emanuele; Frontera, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.249 ± 0.0002 Å
• b: 13.2961 ± 0.0002 Å
• c: 13.4912 ± 0.0003 Å
• α: 90°
• β: 108.514 ± 0.002°
• γ: 90°
• Cell volume: 1573.22 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No