Information card for entry 4079308

Structure parameters

• Formula: C27 H32 Au N
• Calculated formula: C27 H32 Au N
• SMILES: [Au]12(c3cc(ccc3c3[n]1c(ccc3)c1c2cc(cc1)C(C)(C)C)C(C)(C)C)CC
• 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: 7.1567 ± 0.0014 Å
• b: 10.841 ± 0.002 Å
• c: 15.938 ± 0.003 Å
• α: 79.87 ± 0.03°
• β: 78.42 ± 0.03°
• γ: 84.22 ± 0.03°
• Cell volume: 1189.8 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No