Information card for entry 4087188

Structure parameters

• Formula: C18 H16 Au Br N4
• Calculated formula: C18 H16 Au Br N4
• SMILES: [Au](=C1N(C=CN1CC#C)CC#C)=C1N(C=CN1CC#C)CC#C.[Br-]
• Title of publication: Synthesis of Propargyl-Functionalized NHC Gold Complexes
• Authors of publication: Johnson, Alice; Gimeno, M. Concepción
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 1278
• a: 9.71027 ± 0.00013 Å
• b: 14.9158 ± 0.0002 Å
• c: 12.32441 ± 0.00017 Å
• α: 90°
• β: 99.1103 ± 0.0013°
• γ: 90°
• Cell volume: 1762.51 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No