Information card for entry 4078284

Structure parameters

• Common name: Compound X
• Formula: C36 H14 Au2 Cl15 Cu N2
• Calculated formula: C36 H14 Au2 Cl15 Cu N2
• SMILES: [Au]12([Au]([Cu]1([N]#C/C=C/c1ccccc1)[N]#C/C=C/c1ccccc1)([C]12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
• Title of publication: Very Short Metallophilic Interactions Induced by Three-Center‒Two-Electron Perhalophenyl Ligands in Phosphorescent Au‒Cu Complexes
• Authors of publication: López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David; Rodr\?íguez-Castillo, Mar\?ía
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3720
• a: 12.5473 ± 0.0003 Å
• b: 17.8938 ± 0.0009 Å
• c: 21.8989 ± 0.0009 Å
• α: 90°
• β: 119.914 ± 0.003°
• γ: 90°
• Cell volume: 4261.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No