Information card for entry 7031069

Structure parameters

• Formula: C25 H29 Au Cl N
• Calculated formula: C25 H29 Au Cl N
• SMILES: [Au]1(c2cc(ccc2c2ccc(cc12)C(C)(C)C)C(C)(C)C)(Cl)[n]1ccccc1
• 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: 13.2484 ± 0.0012 Å
• b: 24.8662 ± 0.0009 Å
• c: 14.5612 ± 0.0013 Å
• α: 90°
• β: 110.308 ± 0.01°
• γ: 90°
• Cell volume: 4498.8 ± 0.7 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: 0.0399
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No