Information card for entry 7031068

Structure parameters

• Formula: C25 H34 Au N S2
• Calculated formula: C25 H34 Au N S2
• SMILES: [Au]12(c3c(c4c2cc(cc4)C(C)(C)C)ccc(c3)C(C)(C)C)[S]=C(S1)N(CC)CC
• Title of publication: Gold(iii) compounds containing a chelating, dicarbanionic ligand derived from 4,4'-di-tert-butylbiphenyl.
• Authors of publication: David, B.; Monkowius, U.; Rust, J.; Lehmann, C. W.; Hyzak, L.; Mohr, F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 28
• Pages of publication: 11059 - 11066
• a: 12.9679 ± 0.0015 Å
• b: 15.4271 ± 0.0018 Å
• c: 24.784 ± 0.003 Å
• α: 90°
• β: 92.62 ± 0.002°
• γ: 90°
• Cell volume: 4953 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.0328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No