Information card for entry 4003384

Structure parameters

• Formula: C2 H12 F N6 O3 P
• Calculated formula: C2 H12 F N6 O3 P
• 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: 13.2025 ± 0.0014 Å
• b: 7.2951 ± 0.0007 Å
• c: 11.7574 ± 0.0012 Å
• α: 90°
• β: 119.71 ± 0.004°
• γ: 90°
• Cell volume: 983.54 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No