Information card for entry 7021033

Structure parameters

• Common name: TLC245 (CH2Cl2/hexane)
• Formula: C54 H24 Au2 Br2 F16 P2
• Calculated formula: C54 H24 Au2 Br2 F16 P2
• SMILES: [Au]1([Au](c2c(c(c(c(c2F)F)c2c(c(c(c(c2F)F)Br)F)F)F)F)[P](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)c1c(c(c(c(c1F)F)Br)F)F)F)F
• Title of publication: Luminescent gold-silver complexes derived from neutral bis(perfluoroaryl)diphosphine gold(i) precursors.
• Authors of publication: Bojan, R. Vilma; Czerwieniec, Rafal; Laguna, Antonio; Lasanta, Tania; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Yersin, Harmut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 4267 - 4277
• a: 15.3232 ± 0.0003 Å
• b: 17.515 ± 0.0005 Å
• c: 37.5226 ± 0.0009 Å
• α: 90°
• β: 99.901 ± 0.001°
• γ: 90°
• Cell volume: 9920.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No