Information card for entry 4072632

Structure parameters

• Formula: C11 H20 Au Br3 N2
• Calculated formula: C11 H20 Au Br3 N2
• SMILES: [Au](Br)(Br)(Br)=C1N(C(C)(C)C)C=CN1C(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: 9.2947 ± 0.0005 Å
• b: 15.3944 ± 0.0008 Å
• c: 12.1528 ± 0.0007 Å
• α: 90°
• β: 96.746 ± 0.001°
• γ: 90°
• Cell volume: 1726.86 ± 0.16 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No