Information card for entry 7032666

Structure parameters

• Common name: 2
• Formula: C48 H26 Au2 Cl4 F6 N2 P2
• Calculated formula: C48 H26 Au2 Cl4 F6 N2 P2
• SMILES: c1(nc2c(cc1)ccc1ccc(nc21)[P]([Au]c1c(c(c(c(c1F)Cl)F)Cl)F)(c1ccccc1)c1ccccc1)[P]([Au]c1c(c(c(c(c1F)Cl)F)Cl)F)(c1ccccc1)c1ccccc1
• 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: 24.6243 ± 0.0007 Å
• b: 12.2228 ± 0.0004 Å
• c: 17.6926 ± 0.0009 Å
• α: 90°
• β: 123.8°
• γ: 90°
• Cell volume: 4425.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No