Information card for entry 1515133

Structure parameters

• Formula: C28 H24 Au F6 N4 P
• Calculated formula: C28 H24 Au F6 N4 P
• SMILES: [Au]12(c3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)C#Cc1ccc(N(C)C)cc1.[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: Quest for an intermolecular Au(iii)⋯Au(iii) interaction between cyclometalated gold(iii) cations
• Authors of publication: Lu, Wei; Chan, Kaai Tung; Wu, Shui-Xing; Chen, Yong; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 752
• a: 16.2749 ± 0.0009 Å
• b: 7.2655 ± 0.0004 Å
• c: 22.8836 ± 0.0013 Å
• α: 90°
• β: 91.975 ± 0.002°
• γ: 90°
• Cell volume: 2704.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No