Information card for entry 2214555

Structure parameters

• Chemical name: Methylenebis(phosphonic difluoride)
• Formula: C H2 F4 O2 P2
• Calculated formula: C H2 F4 O2 P2
• SMILES: P(=O)(F)(CP(=O)(F)F)F
• Title of publication: Methylenebis(phosphonic difluoride)
• Authors of publication: Blaurock, Steffen; Fischer, Axel; Schmutzler, Reinhard; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3496 - o3496
• a: 16.975 ± 0.002 Å
• b: 5.2277 ± 0.0006 Å
• c: 12.9176 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1146.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes