Information card for entry 4088508

Structure parameters

• Formula: C64 H20 Au2 F30 P2
• Calculated formula: C64 H20 Au2 F30 P2
• SMILES: c1(c(F)c(c(c(c1F)F)F)F)[Au]([P](c1ccccc1)(c1ccccc1)C#CC#C[P]([Au](c1c(c(c(c(c1F)F)F)F)F)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F)(c1ccccc1)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Tuning the Energy Emission from Violet to Yellow with Bidentate Phosphine Gold(III) Complexes
• Authors of publication: Fernández-Moreira, Vanesa; Cámara, Jéssica; Smirnova, Ekaterina S.; Koshevoy, Igor O.; Laguna, Antonio; Tunik, Sergey P.; Blanco, M. Carmen; Gimeno, M. Concepción
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 8
• Pages of publication: 1141
• a: 12.965 ± 0.003 Å
• b: 13.871 ± 0.003 Å
• c: 16.094 ± 0.003 Å
• α: 90°
• β: 91.92 ± 0.03°
• γ: 90°
• Cell volume: 2892.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0667
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No