Information card for entry 7106227

Structure parameters

• Common name: [(SIPr)AuCO][SbF6]
• Formula: C30 H42 Au Cl4 F6 N2 O Sb
• Calculated formula: C30 H42 Au Cl4 F6 N2 O Sb
• SMILES: [Au](C#[O])=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Isolable, gold carbonyl complexes supported by N-heterocyclic carbenes
• Authors of publication: Chandrakanta Dash; Peter Kroll; Muhammed Yousufuddin; Rasika Dias
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4478
• a: 22.123 ± 0.003 Å
• b: 10.7279 ± 0.0014 Å
• c: 18.668 ± 0.003 Å
• α: 90°
• β: 122.014 ± 0.001°
• γ: 90°
• Cell volume: 3756.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No