Information card for entry 7052687

Structure parameters

• Formula: C34 H24 F6 O6 S8 Zn
• Calculated formula: C34 H24 F6 O6 S8 Zn
• Title of publication: An asymmetric TTF derivative bearing a phenyl β-diketone group as an efficient ligand towards functional materials
• Authors of publication: Wang, Yu; Li, Bo; Huang, Guolong; Zhang, Jing-Ping; Zhang, Yan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1472
• a: 5.2175 ± 0.0005 Å
• b: 10.5765 ± 0.001 Å
• c: 34.092 ± 0.003 Å
• α: 90°
• β: 90.726 ± 0.002°
• γ: 90°
• Cell volume: 1881.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No