Information card for entry 4084315

Structure parameters

• Common name: 28 in manuscript
• Formula: C78 H62 Au Cl6 F5 N2
• Calculated formula: C78 H62 Au Cl6 F5 N2
• Title of publication: Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species
• Authors of publication: Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4461
• a: 16.3319 ± 0.0011 Å
• b: 17.4653 ± 0.001 Å
• c: 24.5087 ± 0.0015 Å
• α: 90°
• β: 104.124 ± 0.0018°
• γ: 90°
• Cell volume: 6779.6 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0625
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No