Information card for entry 4329902

Structure parameters

• Formula: C36 H47 Au N2
• Calculated formula: C36 H47 Au N2
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cc(cc1C)C)C
• Title of publication: Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations
• Authors of publication: David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8394 - 8401
• a: 20.22 ± 0.002 Å
• b: 16.0965 ± 0.0018 Å
• c: 23.18 ± 0.004 Å
• α: 90°
• β: 114.506 ± 0.002°
• γ: 90°
• Cell volume: 6864.8 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No