Information card for entry 4309398

Structure parameters

• Formula: C46 H24 Au2 Cl20 N2 O2 Tl2
• Calculated formula: C46 H24 Au2 Cl20 N2 O2 Tl2
• SMILES: [Au]1([Tl]([Au]([Tl]1[O]=C(C=C(O)C)C)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[n]1ccc(cc1)c1ccncc1)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl.c1(ccccc1)C
• Title of publication: A Family of Au-Tl Loosely Bound Butterfly Clusters
• Authors of publication: Eduardo J. Fernández; José M. López-de-Luzuriaga; M. Elena Olmos; Javier Pérez; Antonio Laguna; M. Cristina Lagunas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6012 - 6018
• a: 11.4069 ± 0.0001 Å
• b: 14.3783 ± 0.0002 Å
• c: 17.8738 ± 0.0002 Å
• α: 97.3468 ± 0.0007°
• β: 103.26 ± 0.0006°
• γ: 96.4217 ± 0.0006°
• Cell volume: 2799.51 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0733
• 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