Information card for entry 7032665

Structure parameters

• Common name: 1
• Formula: C23 H14 Au Cl2 F3 N P
• Calculated formula: C23 H14 Au Cl2 F3 N P
• SMILES: [Au]([P](c1ncccc1)(c1ccccc1)c1ccccc1)c1c(F)c(Cl)c(F)c(Cl)c1F
• Title of publication: Copper(i)-assisted red-shifted phosphorescence in Au(i)Cu(i) heteropolynuclear complexes.
• Authors of publication: Catalano, Vincent J.; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Pascual, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16486 - 16497
• a: 12.1417 ± 0.0004 Å
• b: 14.0807 ± 0.0004 Å
• c: 14.7208 ± 0.0004 Å
• α: 112.334 ± 0.001°
• β: 106.426 ± 0.001°
• γ: 93.741 ± 0.001°
• Cell volume: 2190.2 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No