Information card for entry 4306439

Structure parameters

• Formula: C7 H3 As F8 N4 S3
• Calculated formula: C7 H3 As F8 N4 S3
• SMILES: C1(=NSN=S=[N+]=S=N1)c1c(F)cccc1F.[As](F)(F)(F)(F)(F)[F-]
• Title of publication: Trithiatetrazocine Cations, [RCN4S3]+; Planar Sulfur-Nitrogen 10π Aromatics
• Authors of publication: Carsten Knapp; Paul G. Watson; Enno Lork; Daniel H. Friese; Rüdiger Mews; Andreas Decken
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10618 - 10625
• a: 6.6569 ± 0.0008 Å
• b: 7.9782 ± 0.0007 Å
• c: 14.3271 ± 0.001 Å
• α: 85.892 ± 0.007°
• β: 83.377 ± 0.009°
• γ: 66.603 ± 0.009°
• Cell volume: 693.41 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0281
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No