Information card for entry 4316373

Structure parameters

• Formula: C2 F12 N2 S6 Sb2
• Calculated formula: C2 F12 N2 S6 Sb2
• SMILES: C1(=NSSS1)C1=NSSS1.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Preparation and Characterization of (CNSSS)2(A)2 (A = AsF6-, SbF6-, Sb2F11-) Containing the O2-like 5,5'-Bis(1,2,3,4-trithiazolium) Dication: The Second Example of a Simple Nonsterically Hindered Main-Group Diradical That Retains Its Paramagnetism in the Solid State
• Authors of publication: T. Stanley Cameron; Andreas Decken; Friedrich Grein; Carsten Knapp; Jack Passmore; J. Mikko Rautiainen; Konstantin V. Shuvaev; Robert C. Thompson; Dale J. Wood
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7861 - 7879
• a: 5.6403 ± 0.0012 Å
• b: 7.9108 ± 0.0018 Å
• c: 9.2776 ± 0.0016 Å
• α: 98.55 ± 0.009°
• β: 92.427 ± 0.007°
• γ: 103.476 ± 0.012°
• Cell volume: 396.81 ± 0.14 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.2156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No