Information card for entry 4080875

Structure parameters

• Formula: C19 H24 Au Br2 N3 O2
• Calculated formula: C19 H24 Au Br2 N3 O2
• SMILES: C1(N(C=CN1C(C)(C)C)C(C)(C)C)=[Au](N1C(=O)c2ccccc2C1=O)(Br)Br
• Title of publication: Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization
• Authors of publication: Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 3108
• a: 19.8674 ± 0.0017 Å
• b: 13.3922 ± 0.0011 Å
• c: 8.3251 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2215 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0871
• 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