Information card for entry 7706803

Structure parameters

• Formula: C20 H24 Au Cl3 N2 O
• Calculated formula: C20 H24 Au Cl3 N2 O
• SMILES: [Au](=C1N(c2c(cc(cc2C)C)C)CCN1[C@@H](c1ccccc1)CO)(Cl)(Cl)Cl
• 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: 8.3792 ± 0.0005 Å
• b: 15.8615 ± 0.001 Å
• c: 8.5517 ± 0.0005 Å
• α: 90°
• β: 109.741 ± 0.001°
• γ: 90°
• Cell volume: 1069.78 ± 0.11 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No