Information card for entry 4101797

Structure parameters

• Formula: C32 H16 Ag2 Au2 F16 I4 O2
• Calculated formula: C32 H16 Ag2 Au2 F16 I4 O2
• SMILES: [Au]123[c]4([Ag]562([O]2CCCC2)[Ag]21([O]1CCCC1)([Au]5([c]12c(c(c(c(c1F)F)I)F)F)[c]16c(c(F)c(c(F)c1F)I)F)[c]13c(c(F)c(c(F)c1F)I)F)c(c(c(c(c4F)F)I)F)F
• Title of publication: Combining Aurophilic Interactions and Halogen Bonding To Control the Luminescence from Bimetallic Gold-Silver Clusters
• Authors of publication: Antonio Laguna; Tania Lasanta; José M. López-de-Luzuriaga; Miguel Monge; Panče Naumov; M. Elena Olmos
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 456 - 457
• a: 10.1196 ± 0.0004 Å
• b: 10.5757 ± 0.0006 Å
• c: 10.6529 ± 0.0006 Å
• α: 65.682 ± 0.002°
• β: 72.493 ± 0.003°
• γ: 84.767 ± 0.003°
• Cell volume: 990.11 ± 0.09 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: 0.0346
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No