Information card for entry 4080874

Structure parameters

• Formula: C15 H24 Au Br2 N3 O2
• Calculated formula: C15 H24 Au Br2 N3 O2
• SMILES: [Au](Br)(Br)(=C1N(C=CN1C(C)(C)C)C(C)(C)C)N1C(=O)CCC1=O
• 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: 9.7911 ± 0.0005 Å
• b: 13.9362 ± 0.0007 Å
• c: 15.3479 ± 0.0008 Å
• α: 72.352 ± 0.001°
• β: 74.022 ± 0.001°
• γ: 86.479 ± 0.001°
• Cell volume: 1918.02 ± 0.17 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No