Information card for entry 7248991

Structure parameters

• Chemical name: Potassium Cadmium Tris(Dicyanoaurate)
• Formula: C6 Au3 Cd K N6
• Calculated formula: C6 Au3 Cd K N6
• Title of publication: A first principles study of the electronic structure and optical response of heterobimetallic M-dicyanoaurate-based coordination polymers (M = Mn, Co, Ni, Zn and Cd).
• Authors of publication: Mojica, R.; Vázquez, M C; Torres, A. E.; Avila, Y.; Borja-Urby, R; Rodríguez-Hernández, J; Reguera, E.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 30
• Pages of publication: 20576 - 20584
• a: 6.8645 ± 0.0003 Å
• b: 6.8645 ± 0.0003 Å
• c: 8.2138 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 335.19 ± 0.02 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 149
• Hermann-Mauguin space group symbol: P 3 1 2
• Hall space group symbol: P 3 2
• Residual factor R(I) for significantly intense reflections: 35.0194
• Goodness-of-fit parameter for all reflections: 1.564
• Method of determination: powder diffraction
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No