Information card for entry 4315201

Structure parameters

• Formula: C F2 N O2 P
• Calculated formula: C F2 N O2 P
• SMILES: P(=O)(F)(F)N=C=O
• 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: 12.9771 ± 0.0006 Å
• b: 12.9771 ± 0.0006 Å
• c: 4.9718 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 837.28 ± 0.07 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No