Information card for entry 4065050

Structure parameters

• Common name: EM41 (CH2Cl2/hexn)
• Formula: C11 H5 Au Cl2 F5 N
• Calculated formula: C11 H5 Au Cl2 F5 N
• SMILES: [Au](Cl)(Cl)(c1c(c(c(c(c1F)F)F)F)F)[n]1ccccc1
• 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: 7.5674 ± 0.0004 Å
• b: 7.7055 ± 0.0005 Å
• c: 12.993 ± 0.0009 Å
• α: 82.368 ± 0.004°
• β: 74.581 ± 0.004°
• γ: 65.735 ± 0.003°
• Cell volume: 665.6 ± 0.07 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: 0.0619
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No