Information card for entry 4306440

Structure parameters

• Formula: C23 H40 As7 Cl4 F42 N35 S21
• Calculated formula: C22.98 H39.96 As7 Cl3.98 F42 N35.04 S21
• 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: 18.69 ± 0.001 Å
• b: 18.69 ± 0.001 Å
• c: 7.766 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2349.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No