Information card for entry 8101955

Structure parameters

• Chemical name: potassium trifluoro[1,3-dithiano]borate
• Formula: C4 H7 B F3 K S2
• Calculated formula: C4 H7 B F3 K S2
• Title of publication: Crystal structure of potassium trifluoro[1,3-dithiano]borate, K(C~4~S~2~H~7~BF~3~)
• Authors of publication: Stefani, H. A.; Cella, R.; Zukerman-Schpector, J.; Caracelli, I.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 167 - 168
• a: 14.7374 ± 0.0003 Å
• b: 9.0612 ± 0.0001 Å
• c: 13.5805 ± 0.0002 Å
• α: 90°
• β: 98.964 ± 0.004°
• γ: 90°
• Cell volume: 1791.37 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No