Information card for entry 4072570

Structure parameters

• Formula: C15 H20 Au Cl N2 O
• Calculated formula: C15 H20 Au Cl N2 O
• SMILES: [Au](Cl)=C1N(C=CN1C(C)(C)C)Cc1ccccc1OC
• Title of publication: Palladium(II) and Gold(I) Complexes of a New O-Functionalized N-Heterocyclic Carbene Ligand: Synthesis, Structures, and Catalytic Application
• Authors of publication: Ray, Lipika; Shaikh, Mobin M.; Ghosh, Prasenjit
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 958
• a: 16.5313 ± 0.0019 Å
• b: 11.2567 ± 0.0018 Å
• c: 17.275 ± 0.007 Å
• α: 90°
• β: 99.65 ± 0.02°
• γ: 90°
• Cell volume: 3169.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No