Information card for entry 4130878

Structure parameters

• Formula: C38 H36 Au F2 N
• Calculated formula: C38 H36 Au F2 N
• SMILES: [Au]12(c3c(c4[n]1cccc4C)cc(cc3c1c2cc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)c1cc(F)cc(F)c1
• Title of publication: Evidence for Direct Transmetalation of Au^III-F with Boronic Acids.
• Authors of publication: Kumar, Roopender; Linden, Anthony; Nevado, Cristina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 42
• Pages of publication: 13790 - 13793
• a: 17.69275 ± 0.00019 Å
• b: 12.14541 ± 0.00009 Å
• c: 15.50402 ± 0.00015 Å
• α: 90°
• β: 114.032 ± 0.0012°
• γ: 90°
• Cell volume: 3042.8 ± 0.06 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 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: 0.0294
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No