Information card for entry 7706801

Structure parameters

• Formula: C20 H24 Au Cl N2 O
• Calculated formula: C20 H24 Au Cl N2 O
• SMILES: [Au](Cl)=C1N([C@@H](c2ccccc2)CO)CCN1c1c(C)cc(cc1C)C
• 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: 8.4305 ± 0.0002 Å
• b: 14.1308 ± 0.0004 Å
• c: 9.2329 ± 0.0002 Å
• α: 90°
• β: 115.901 ± 0.001°
• γ: 90°
• Cell volume: 989.43 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0267
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No