Information card for entry 4072631

Structure parameters

• Formula: C23 H32 Au Br3 N2
• Calculated formula: C23 H32 Au Br3 N2
• SMILES: [Au](Br)(Br)(Br)=C1N(C23CC4CC(CC(C4)C3)C2)C=CN1C12CC3CC(CC(C3)C2)C1
• Title of publication: Synthesis, Characterization and Reactivity ofN-Heterocyclic Carbene Gold(III) Complexes
• Authors of publication: de Frémont, Pierre; Singh, Rohit; Stevens, Edwin D.; Petersen, Jeffrey L.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1376
• a: 16.4445 ± 0.0016 Å
• b: 11.1131 ± 0.001 Å
• c: 12.9782 ± 0.0012 Å
• α: 90°
• β: 90.044 ± 0.002°
• γ: 90°
• Cell volume: 2371.8 ± 0.4 ų
• Cell temperature: 568 ± 2 K
• Ambient diffraction temperature: 568 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No