Information card for entry 4315199

Structure parameters

• Formula: F4 O3 P2
• Calculated formula: F4 O3 P2
• SMILES: FP(=O)(OP(=O)(F)F)F
• Title of publication: Spectroscopic and Structural Studies of Difluorophosphoryl Azide F2P(O)N3, Difluorophosphoryl Isocyanate F2P(O)NCO, and Difluorophosphoric Acid Anhydride, F2(O)POP(O)F2
• Authors of publication: Xiaoqing Zeng; Michael Gerken; Helmut Beckers; Helge Willner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3002 - 3010
• a: 12.303 ± 0.0008 Å
• b: 6.4579 ± 0.0003 Å
• c: 6.4891 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 515.57 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No