Information card for entry 4079307

Structure parameters

• Formula: C33 H32 Au F4 N O2
• Calculated formula: C33 H32 Au F4 N O2
• SMILES: [Au]1(c2c(c3[n]1c(c1ccc(cc1)C(C)(C)C)ccc3)ccc(c2)C(C)(C)C)(OC(=O)C(F)(F)F)c1ccc(F)cc1
• 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: 11.3438 ± 0.0009 Å
• b: 11.7899 ± 0.0007 Å
• c: 13.5826 ± 0.0007 Å
• α: 114.937 ± 0.005°
• β: 91.198 ± 0.005°
• γ: 112.676 ± 0.007°
• Cell volume: 1482.9 ± 0.2 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: 0.0591
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No