Information card for entry 7120641

Structure parameters

• Formula: C58 H74 Au2 Cl4 N4 O2
• Calculated formula: C58 H74 Au2 Cl4 N4 O2
• SMILES: C1(=C(C(=O)[N+](=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1=C(N(C=[N+](C1=O)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Au]Cl)[Au]Cl.C(Cl)CCl
• Title of publication: Catalytic domino amination and oxidative coupling of gold acetylides and isolation of key vinylene digold intermediates as a new class of ditopic N-heterocyclic carbene complexes
• Authors of publication: Zhang, Jun; Chen, Haifeng; Wang, Jiwei; Hu, Zejun; Xu, Sheng; Shi, Min
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.803 ± 0.002 Å
• b: 15.803 ± 0.002 Å
• c: 21.901 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4736.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No