Information card for entry 4077910

Structure parameters

• Formula: C12.5 H20 Cl F6 S Sb
• Calculated formula: C12.5 H19 Cl F6 S Sb
• 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: 25.5825 ± 0.0004 Å
• b: 8.66762 ± 0.00011 Å
• c: 16.1148 ± 0.0003 Å
• α: 90°
• β: 94.2792 ± 0.014°
• γ: 90°
• Cell volume: 3563.32 ± 0.12 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No