Information card for entry 4084317

Structure parameters

• Formula: C71 H56 Au B F15 N2 P
• Calculated formula: C71 H56 Au B F15 N2 P
• SMILES: Fc1c(c(F)c(c(c1[B](c1c(F)c(F)c(c(F)c1F)F)(C#Cc1ccccc1)c1c(F)c(F)c(F)c(F)c1F)F)F)F.[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
• 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: 11.4977 ± 0.0006 Å
• b: 15.3116 ± 0.0008 Å
• c: 19.1855 ± 0.0011 Å
• α: 100.446 ± 0.003°
• β: 102.026 ± 0.003°
• γ: 102.614 ± 0.003°
• Cell volume: 3131.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No