Information card for entry 7053691

Structure parameters

• Chemical name: Tosyloxymethyl-ET
• Formula: C18 H16 O3 S9
• Calculated formula: C18 H15.351 O3 S9
• Title of publication: Synthetic strategies for preparing BEDT-TTF derivatives functionalised with metal ion binding groups
• Authors of publication: Wang, Qiang; Day, Peter; Griffiths, Jon-Paul; Nie, Hui; Wallis, John D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 1790
• a: 6.249 ± 0.0001 Å
• b: 11.0486 ± 0.0003 Å
• c: 16.4757 ± 0.0004 Å
• α: 82.167 ± 0.002°
• β: 82.328 ± 0.002°
• γ: 87.627 ± 0.002°
• Cell volume: 1116.51 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No