Information card for entry 4087187

Structure parameters

• Formula: C7 H8 Au Br N2
• Calculated formula: C7 H8 Au Br N2
• 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: 7.505 ± 0.0015 Å
• b: 8.0571 ± 0.0016 Å
• c: 9.044 ± 0.0018 Å
• α: 101.39 ± 0.03°
• β: 102.75 ± 0.03°
• γ: 117.48 ± 0.03°
• Cell volume: 444 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No