Information card for entry 1559048

Structure parameters

• Common name: [(C6H11NC)2Au]BArF24
• Formula: C46 H34 Au B F24 N2
• Calculated formula: C46 H34 Au B F24 N2
• SMILES: [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C(#[N]C1CCCCC1)[Au]C#[N]C1CCCCC1
• Title of publication: Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.
• Authors of publication: Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 23.708 ± 0.003 Å
• b: 9.1838 ± 0.001 Å
• c: 23.643 ± 0.003 Å
• α: 90°
• β: 114.129 ± 0.002°
• γ: 90°
• Cell volume: 4698 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No