Information card for entry 4064485

Structure parameters

• Formula: C34 H34 Au F3 O4 P Rh S
• Calculated formula: C34 H34 Au F3 O4 P Rh S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]12[cH]3[Rh]4567891([cH]2[cH]4[c]5([cH]36)OC)[CH]1=[CH]7CC[CH]8=[CH]9CC1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Gold and Rhodium Transmetalation: Mechanistic Insights and Dual-Metal Reactivity
• Authors of publication: Shi, Yili; Blum, Suzanne A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1776
• a: 10.6068 ± 0.0006 Å
• b: 13.4155 ± 0.0008 Å
• c: 14.0248 ± 0.0008 Å
• α: 62.0255 ± 0.0006°
• β: 70.4309 ± 0.0006°
• γ: 86.1671 ± 0.0007°
• Cell volume: 1650.88 ± 0.17 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No