Information card for entry 4316467

Structure parameters

• Formula: C31 H32 F6 N4 O6 S3
• Calculated formula: C31 H32 F6 N4 O6 S3
• Title of publication: Synthesis and Reactivity of Sulfur(II) Dications Stabilized Using Monodentate Ligands
• Authors of publication: Caleb D. Martin; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8164 - 8172
• a: 8.305 ± 0.0005 Å
• b: 15.0203 ± 0.001 Å
• c: 15.1251 ± 0.001 Å
• α: 107.243 ± 0.004°
• β: 95.421 ± 0.004°
• γ: 98.949 ± 0.003°
• Cell volume: 1760.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No