Information card for entry 7063547

Structure parameters

• Common name: C4O2F2
• Chemical name: Acetylenedicarbonyl Fluoride
• Formula: C4 F2 O2
• Calculated formula: C4 F2 O2
• Title of publication: Structures and properties of the mono- and diprotonated species of acetylenedicarbonyl fluoride
• Authors of publication: Hollenwäger, Dirk; Nitzer, Alexander; Leitz, Dominik; Kornath, Andreas J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 48
• Pages of publication: 20140 - 20148
• a: 5.8699 ± 0.0002 Å
• b: 5.8699 ± 0.0002 Å
• c: 13.4589 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 463.74 ± 0.04 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No