Information card for entry 7237390

Structure parameters

• Common name: pyrazinium tetrachloroaurate
• Chemical name: pyrazinium tetrachloroaurate
• Formula: C4 H5 Au Cl4 N2
• Calculated formula: C4 H5 Au Cl4 N2
• Title of publication: A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt
• Authors of publication: Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 28
• Pages of publication: 7689
• a: 7.5655 ± 0.0001 Å
• b: 7.5655 ± 0.0001 Å
• c: 15.147 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 867 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Ambient diffracton pressure: 2770000 kPa
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.41438 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No