Information card for entry 4077908

Structure parameters

• Formula: C12 H19 F6 S Sb
• Calculated formula: C12 H19 F6 S Sb
• SMILES: [S+](Cc1c(cc(c(c1)C)C)C)(C)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Reactivity of “Ligand-Free” Au+: C‒H and C‒C Activation versus π Coordination
• Authors of publication: Savjani, Nicky; Bew, Sean P.; Hughes, David L.; Lancaster, Simon J.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2534
• a: 12.0274 ± 0.0002 Å
• b: 7.9197 ± 0.0007 Å
• c: 17.4074 ± 0.0009 Å
• α: 90°
• β: 108.949 ± 0.005°
• γ: 90°
• Cell volume: 1568.26 ± 0.17 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No