Information card for entry 4079306

Structure parameters

• Formula: C27 H27 Au F3 N O2
• Calculated formula: C27 H27 Au F3 N O2
• SMILES: [Au]12(c3c(c4[n]1c(c1c2cc(cc1)C(C)(C)C)ccc4)ccc(c3)C(C)(C)C)OC(=O)C(F)(F)F
• Title of publication: Selective Au‒C Cleavage in (C∧N∧C)Au(III) Aryl and Alkyl Pincer Complexes
• Authors of publication: Smith, Dan A.; Roşca, Dragoş-Adrian; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 5998
• a: 10.822 ± 0.003 Å
• b: 15.703 ± 0.005 Å
• c: 16.449 ± 0.005 Å
• α: 111.656 ± 0.004°
• β: 91.252 ± 0.002°
• γ: 109.791 ± 0.004°
• Cell volume: 2409.9 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No