Information card for entry 7014177

Structure parameters

• Formula: C12 H18 F10 N6 S
• Calculated formula: C12 H18 F10 N6 S
• Title of publication: Anionic triazine systems.
• Authors of publication: Kingston, Melanie; Chen, Shan-Jia; Lork, Enno; Mews, Rüdiger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1400 - 1404
• a: 8.8448 ± 0.0014 Å
• b: 11.6601 ± 0.0012 Å
• c: 19.941 ± 0.002 Å
• α: 90°
• β: 102.494 ± 0.01°
• γ: 90°
• Cell volume: 2007.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No