Information card for entry 4106964

Structure parameters

• Common name: TLC 124 (thf/hx)
• Formula: C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5
• Calculated formula: C58 H76 Ag2 Au2 Cl2 F16 I4 N2 O8.5
• SMILES: [Au]123[Ag]45([I]c6c3c(c(c(c6F)F)F)F)[Au]36[Ag]1([C]12=C(C(=C(C(=C1F)F)F)F)[I]5)([I]C1=C(C(=C(C(=[C]341)F)F)F)F)[I]c1c6c(c(c(c1F)F)F)F.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O1CCCC1
• Title of publication: Making the Golden Connection: Reversible Mechanochemical and Vapochemical Switching of Luminescence from Bimetallic Gold-Silver Clusters Associated through Aurophilic Interactions
• Authors of publication: Tania Lasanta; M. Elena Olmos; Antonio Laguna; José M. López-de-Luzuriaga; Panče Naumov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 16358 - 16361
• a: 16.6596 ± 0.0004 Å
• b: 16.748 ± 0.0005 Å
• c: 30.2716 ± 0.0007 Å
• α: 82.674 ± 0.001°
• β: 84.783 ± 0.001°
• γ: 61.23 ± 0.001°
• Cell volume: 7338.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No