Information card for entry 1543108

Structure parameters

• Formula: C3 H7.5 N1.5 O6.5 Zn
• Calculated formula: C3 H7.5 N1.5 O6.5 Zn
• Title of publication: Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3
• Authors of publication: Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 5108
• a: 8.61779 ± 0.00012 Å
• b: 7.73073 ± 0.0001 Å
• c: 11.50052 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 766.185 ± 0.018 ų
• Cell temperature: 119.8 ± 0.6 K
• Ambient diffraction temperature: 119.8 ± 0.6 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: 0.0393
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No