Information card for entry 2106671

Structure parameters

• Chemical name: H C F3 S O3 (H2 O)2
• Formula: C H5 F3 O5 S
• Calculated formula: C H5 F3 O5 S
• Title of publication: Hydrogen bond studies. XCVII. The crystal structure of trifluoromethanesulphonic acid dihydrate, H5 O2 C F3 S O3 at 225 and 85K
• Authors of publication: Delaplane, R.G.; Olovsson, I.; Lundgren, J.O.
• Journal of publication: Acta Crystallographica B (24,1968-38,1982)
• Year of publication: 1975
• Journal volume: 31
• Pages of publication: 2202 - 2207
• a: 10.1192 Å
• b: 8.87 Å
• c: 7.7545 Å
• α: 90°
• β: 97.556°
• γ: 90°
• Cell volume: 689.979 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No