Information card for entry 4003377

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: Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates
• Authors of publication: Zhang, Bingbing; Han, Guopeng; Wang, Ying; Chen, Xinglong; Yang, Zhihua; Pan, Shilie
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 5397
• a: 7.9516 ± 0.0007 Å
• b: 11.3364 ± 0.001 Å
• c: 6.0351 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 544.02 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No