Information card for entry 4072625

Structure parameters

• Formula: C27 H36 Au Br N2
• Calculated formula: C27 H36 Au Br N2
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au]Br
• 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: 10.9117 ± 0.0006 Å
• b: 12.6771 ± 0.0007 Å
• c: 19.9643 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2761.6 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No