Information card for entry 4072626

Structure parameters

• Formula: C27.5 H37 Au Br3 Cl N2
• Calculated formula: C27.5 H37 Au Br3 Cl N2
• SMILES: [Au](Br)(Br)(Br)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C
• 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: 16.95 ± 0.002 Å
• b: 19.403 ± 0.003 Å
• c: 20.417 ± 0.003 Å
• α: 90°
• β: 110.421 ± 0.003°
• γ: 90°
• Cell volume: 6292.8 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No