Information card for entry 7032667

Structure parameters

• Common name: 3
• Formula: C46 H28 Au2 B Cl4 Cu F10 N2 P2
• Calculated formula: C46 H28 Au2 B Cl4 Cu F10 N2 P2
• SMILES: [Au]12([Au]3([Cu]1([n]1c([P]2(c2ccccc2)c2ccccc2)cccc1)[n]1c([P]3(c2ccccc2)c2ccccc2)cccc1)c1c(F)c(Cl)c(F)c(Cl)c1F)c1c(F)c(Cl)c(F)c(Cl)c1F.[B](F)(F)(F)[F-]
• 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: 10.3133 ± 0.0003 Å
• b: 13.8966 ± 0.0005 Å
• c: 16.536 ± 0.0006 Å
• α: 90.076 ± 0.001°
• β: 95.019 ± 0.001°
• γ: 104.846 ± 0.001°
• Cell volume: 2281.35 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No