Information card for entry 7031071

Structure parameters

• Formula: C29 H33 Au Cl N
• Calculated formula: C29 H33 Au Cl N
• SMILES: [Au]1(c2c(c3c1cc(cc3)C(C)(C)C)ccc(c2)C(C)(C)C)(C#[N]c1c(cccc1C)C)Cl
• 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: 6.9903 ± 0.0008 Å
• b: 13.3368 ± 0.0015 Å
• c: 14.9617 ± 0.0017 Å
• α: 67.968 ± 0.002°
• β: 76.678 ± 0.002°
• γ: 89.813 ± 0.002°
• Cell volume: 1252.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No