Information card for entry 7113034

Structure parameters

• Formula: C32 H28 Au Cl2 F3 N3 O3 P S
• Calculated formula: C32 H28 Au Cl2 F3 N3 O3 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cn2[n+](c1C)CC(=N2)c1ccccc1.ClCCl.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Synthesis and characterization of organogold complexes containing an acid stable Au-C bond through triazole-yne 5-endo-dig cyclization.
• Authors of publication: Chen, Yunfeng; Wang, Dawei; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 33
• Pages of publication: 6147 - 6149
• a: 9.0504 ± 0.0007 Å
• b: 20.3438 ± 0.0016 Å
• c: 18.8056 ± 0.0014 Å
• α: 90°
• β: 102.805 ± 0.002°
• γ: 90°
• Cell volume: 3376.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No