Information card for entry 4306441

Structure parameters

• Formula: C7 H4 As F7 N4 S3
• Calculated formula: C7 H4 As F7 N4 S3
• SMILES: C1(=NSN=S=[N+]=S=N1)c1c(cccc1)F.[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: 6.524 ± 0.0005 Å
• b: 7.9184 ± 0.0007 Å
• c: 14.3798 ± 0.0012 Å
• α: 83.467 ± 0.001°
• β: 84.68 ± 0.001°
• γ: 66.607 ± 0.001°
• Cell volume: 676.45 ± 0.1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0331
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No