Information card for entry 4065049

Structure parameters

• Common name: EM31 (CH2Cl2/hexn)
• Formula: C12 H4 Au Cl2 F5 N2
• Calculated formula: C12 H4 Au Cl2 F5 N2
• SMILES: [Au](Cl)(Cl)(c1c(c(c(c(c1F)F)F)F)F)[n]1ccc(cc1)C#N
• Title of publication: Metal-Induced Phosphorescence in (Pentafluorophenyl)gold(III) Complexes
• Authors of publication: Bojan, Vilma R.; López-de-Luzuriaga, José M.; Manso, Elena; Monge, Miguel; Olmos, M. Elena
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4486
• a: 7.534 ± 0.0002 Å
• b: 13.8179 ± 0.0006 Å
• c: 14.4335 ± 0.0006 Å
• α: 106.569 ± 0.002°
• β: 96.736 ± 0.002°
• γ: 94.965 ± 0.003°
• Cell volume: 1418.84 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No