Information card for entry 4080531

Structure parameters

• Common name: 23b in manuscript
• Formula: C24 H32 Au Cl2 I N2
• Calculated formula: C24 H32 Au Cl2 I N2
• SMILES: [Au](I)=C1C(N(CN1c1c(cccc1C(C)C)C(C)C)Cc1ccccc1)C.C(Cl)Cl
• Title of publication: Saturated Abnormal NHC‒Gold(I) Complexes: Synthesis and Catalytic Activity
• Authors of publication: Manzano, Rubén; Rominger, Frank; Hashmi, A. Stephen K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2199
• a: 10.0881 ± 0.0012 Å
• b: 10.9105 ± 0.0014 Å
• c: 12.697 ± 0.0016 Å
• α: 80.699 ± 0.002°
• β: 76.187 ± 0.002°
• γ: 88.447 ± 0.002°
• Cell volume: 1339.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No