Information card for entry 7706802

Structure parameters

• Formula: C17 H26 Au Cl3 N2 O
• Calculated formula: C17 H26 Au Cl3 N2 O
• SMILES: [Au](=C1N(CCN1c1c(C)cc(C)cc1C)[C@H](CO)C(C)C)(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: 15.7581 ± 0.0017 Å
• b: 15.7581 ± 0.0017 Å
• c: 15.4225 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3316.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No