Information card for entry 4003382

Structure parameters

• Formula: F H8 N2 O3 P
• Calculated formula: F H8 N2 O3 P
• SMILES: P(=O)(F)([O-])[O-].[NH4+].[NH4+]
• Title of publication: Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials
• Authors of publication: Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 7823
• a: 7.9407 ± 0.0007 Å
• b: 11.3362 ± 0.001 Å
• c: 6.0308 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 542.88 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No