Information card for entry 1550496

Structure parameters

• Formula: C19 H16 Au Cl N O P
• Calculated formula: C19 H16 Au Cl N O P
• SMILES: [Au]([p]1c(O)cc(c2ccccc2)cc1c1ccccc1)Cl.CC#N
• Title of publication: Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes
• Authors of publication: Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.7694 ± 0.0003 Å
• b: 7.3282 ± 0.0003 Å
• c: 38.4557 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3598.56 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No