Information card for entry 4081321

Structure parameters

• Formula: C13 H18 Au Br3 N2
• Calculated formula: C13 H18 Au Br3 N2
• SMILES: C1(N(c2c(cccc2)N1C(C)C)C(C)C)=[Au](Br)(Br)Br
• Title of publication: Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)
• Authors of publication: Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4591
• a: 9.0114 ± 0.0003 Å
• b: 9.0114 ± 0.0003 Å
• c: 21.0622 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1710.36 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No