Information card for entry 4315200

Structure parameters

• Formula: F2 N3 O P
• Calculated formula: F2 N3 O P
• SMILES: P(=O)(F)(F)N=N#N
• 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: 5.6202 ± 0.0006 Å
• b: 5.6798 ± 0.0007 Å
• c: 12.7182 ± 0.0019 Å
• α: 97.48 ± 0.011°
• β: 91.383 ± 0.01°
• γ: 90.14 ± 0.009°
• Cell volume: 402.41 ± 0.09 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No