Information card for entry 7035232

Structure parameters

• Common name: mrk87
• Formula: C13 H10 Au F5 N2
• Calculated formula: C13 H10 Au F5 N2
• SMILES: [Au]([n]1ccc(N(C)C)cc1)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: The effect of gold(i) coordination on the dual fluorescence of 4-(dimethylamino)pyridine.
• Authors of publication: López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena; Rodríguez-Castillo, María; Sampedro, Diego
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11029 - 11039
• a: 7.9054 ± 0.0002 Å
• b: 11.2407 ± 0.0003 Å
• c: 15.0283 ± 0.0004 Å
• α: 90°
• β: 103.395 ± 0.001°
• γ: 90°
• Cell volume: 1299.12 ± 0.06 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.044
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No