Information card for entry 4134406

Structure parameters

• Common name: [(C6H11NC)2Au](PF6)0.50(AsF6)0.50
• Formula: C14 H22 As0.5 Au F6 N2 P0.5
• Calculated formula: C14 H22 As0.474 Au F6 N2 P0.526
• Title of publication: Role of Anions and Mixtures of Anions on the Thermochromism, Vapochromism and Polymorph Formation of Luminescent Crystals of a Single Cation, [(C₆H₁₁NC)₂Au]<sup/>.
• Authors of publication: Luong, Lucy; Malwitz, Mark A.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 6.385 ± 0.0004 Å
• b: 17.0891 ± 0.0012 Å
• c: 16.7204 ± 0.0011 Å
• α: 90°
• β: 92.686 ± 0.001°
• γ: 90°
• Cell volume: 1822.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No