Information card for entry 7034937

Structure parameters

• Chemical name: tris(pentafluorophenyl)[2-phenylpyridine-κN]gold(III)
• Formula: C29 H9 Au F15 N
• Calculated formula: C29 H9 Au F15 N
• SMILES: [Au](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[n]1ccccc1c1ccccc1
• Title of publication: Stable and color tunable emission properties based on non-cyclometalated gold(iii) complexes.
• Authors of publication: Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 10003 - 10013
• a: 7.9254 ± 0.0004 Å
• b: 18.503 ± 0.004 Å
• c: 18.4895 ± 0.0011 Å
• α: 90°
• β: 97.579 ± 0.005°
• γ: 90°
• Cell volume: 2687.7 ± 0.6 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 5
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No