Information card for entry 7706804

Structure parameters

• Formula: C21 H24 Au Cl N2 O
• Calculated formula: C21 H24 Au Cl N2 O
• SMILES: [Au](Cl)=C1N(c2c(cc(C)cc2C)C)CCN1[C@H]1c2c(C[C@H]1O)cccc2
• Title of publication: Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.
• Authors of publication: Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5128 - 5138
• a: 20.526 ± 0.012 Å
• b: 8.886 ± 0.005 Å
• c: 11.161 ± 0.007 Å
• α: 90°
• β: 94.89 ± 0.009°
• γ: 90°
• Cell volume: 2028 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No