Information card for entry 7105884

Structure parameters

• Formula: C53 H46 Au Cl3 F3 O4 P4 Rh S
• Calculated formula: C53 H46 Au Cl3 F3 O4 P4 Rh S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Au]([P](C[P]([Rh]1(Cl)C#[O])(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Heterobimetallic Rhodium-Gold Halide and Hydride Complexes
• Authors of publication: Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1485
• a: 10.4553 ± 0.0011 Å
• b: 19.2177 ± 0.0019 Å
• c: 26.395 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5303.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No