Information card for entry 4316374

Structure parameters

• Formula: C2 F22 N2 S6 Sb4
• Calculated formula: C2 F22 N2 S6 Sb4
• SMILES: C1(=NSSS1)C1=NSSS1.F[Sb](F)(F)(F)(F)[F][Sb](F)(F)(F)(F)F.F[Sb](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: 8.4307 ± 0.0011 Å
• b: 8.7468 ± 0.0011 Å
• c: 10.2677 ± 0.0011 Å
• α: 100.978 ± 0.003°
• β: 101.941 ± 0.0013°
• γ: 118.442 ± 0.003°
• Cell volume: 613.51 ± 0.13 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 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: 0.0346
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No