Information card for entry 4081318

Structure parameters

• Formula: C13 H18 Au Br N2
• Calculated formula: C13 H18 Au Br N2
• SMILES: [Au](Br)=C1N(c2ccccc2N1C(C)C)C(C)C
• 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: 9.6791 ± 0.0011 Å
• b: 7.8592 ± 0.0009 Å
• c: 19.129 ± 0.002 Å
• α: 90°
• β: 100.293 ± 0.003°
• γ: 90°
• Cell volume: 1431.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1018
• 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