Information card for entry 7706805

Structure parameters

• Formula: C18 H20 Au Cl N2 O
• Calculated formula: C18 H20 Au Cl N2 O
• SMILES: [Au](Cl)=C1N(CCN1Cc1ccccc1)[C@H](CO)c1ccccc1
• 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: 8.2937 ± 0.0011 Å
• b: 9.0157 ± 0.0012 Å
• c: 13.7482 ± 0.0018 Å
• α: 73.077 ± 0.002°
• β: 75.363 ± 0.002°
• γ: 64.382 ± 0.002°
• Cell volume: 877.2 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No