Information card for entry 4081319

Structure parameters

• Formula: C13 H18 Au I N2
• Calculated formula: C13 H18 Au I N2
• SMILES: [Au](I)=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: 10.5679 ± 0.0014 Å
• b: 10.6108 ± 0.0015 Å
• c: 13.294 ± 0.0018 Å
• α: 90°
• β: 93.197 ± 0.003°
• γ: 90°
• Cell volume: 1488.4 ± 0.4 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: 0.0369
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No