Information card for entry 7110443

Structure parameters

• Formula: C76 H64 Au4 Cl4 F6 O6 P4 S2 Se
• Calculated formula: C76 H64 Au4 Cl4 F6 O6 P4 S2 Se
• SMILES: [Au]12([Au]3([Au]4([Au]1([Se]234)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(S(=O)(=O)[O-])(F)(F)F.C(S(=O)(=O)[O-])(F)(F)F.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis of the first gold complex with a central μ4-selenido ligand
• Authors of publication: Canales, Silvia; Crespo, Olga; Concepción Gimeno, M.; Laguna, Antonio; Jones, Peter G.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 8
• Pages of publication: 679
• a: 16.41 ± 0.002 Å
• b: 23.353 ± 0.003 Å
• c: 20.352 ± 0.002 Å
• α: 90°
• β: 91.593 ± 0.008°
• γ: 90°
• Cell volume: 7796.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.1093
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 0.743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No