Information card for entry 4310082

Structure parameters

• Formula: C20 H28 O2 S8
• Calculated formula: C20 H27 O2 S8
• Title of publication: Electroactive Ligands: The First Metal Complexes of Tetrathiafulvenyl-Acetylacetonate
• Authors of publication: Julien Massue; Nathalie Bellec; Stéphanie Chopin; Eric Levillain; Thierry Roisnel; Rodolphe Clérac; Dominique Lorcy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8740 - 8748
• a: 9.189 ± 0.005 Å
• b: 5.402 ± 0.005 Å
• c: 26.794 ± 0.005 Å
• α: 90°
• β: 95.307 ± 0.005°
• γ: 90°
• Cell volume: 1324.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No