Information card for entry 4117094

Structure parameters

• Chemical name: Formic acid - hydrogen fluoride (1/1)
• Formula: C H3 F O2
• Calculated formula: C H3 F O2
• SMILES: C(=O)O.F
• Title of publication: The Formic Acid 1D Array with H Bonds All Reversed: Structure of a Cocrystal with Hydrogen Fluoride1,2
• Authors of publication: Dirk Wiechert; Dietrich Mootz; Thomas Dahlems
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 12665 - 12666
• a: 6.551 ± 0.003 Å
• b: 5.651 ± 0.003 Å
• c: 7.347 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 272 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.1139
• Goodness-of-fit parameter for all reflections: 1.203
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No