Information card for entry 7707810

Structure parameters

• Formula: F6 H4 Mg N O6 P3
• Calculated formula: F6 H4 Mg N O6 P3
• Title of publication: From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH₄)_<i>n</i>-2AE(PO₂F₂)_<i>n</i> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).
• Authors of publication: Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 29
• Pages of publication: 10206 - 10213
• a: 5.411 ± 0.004 Å
• b: 15.201 ± 0.012 Å
• c: 12.681 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1043 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No