Information card for entry 8102170

Structure parameters

• Chemical name: potassium trifluoro[2-methyl-1,3-dithiano]borate
• Formula: C20 H36 B4 F12 K4 S8
• Calculated formula: C5 H9 B F3 K S2
• Title of publication: Crystal structure of potassium trifluoro(2-methyl-1,3-dithiano)borate, K(C~5~H~9~BF~3~S~2~)
• Authors of publication: Caracelli, Ignez; Stefani, Hélio A.; Siqueira Vieira, Adriano; Pereira Machado, Maria M.; Zukerman-Schpector, Julio
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 345 - 347
• a: 11.9238 ± 0.0005 Å
• b: 13.606 ± 0.0005 Å
• c: 14.028 ± 0.0003 Å
• α: 114.995 ± 0.002°
• β: 92.035 ± 0.002°
• γ: 92.39 ± 0.002°
• Cell volume: 2057.35 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No