Information card for entry 4134613

Structure parameters

• Formula: C8 H16 N4 Ni O7
• Calculated formula: C8 H16 N4 Ni O7
• Title of publication: Homochiral Nickel Nitrite ABX₃ (X = NO₂^-) Perovskite Ferroelectrics.
• Authors of publication: Deng, Bin-Bin; Xu, Chu-Chu; Cheng, Ting-Ting; Yang, Yi-Ting; Hu, Yan-Ting; Wang, Pan; He, Wen-Hui; Yang, Meng-Juan; Liao, Wei-Qiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.7669 ± 0.0011 Å
• b: 7.0025 ± 0.0005 Å
• c: 10.1992 ± 0.0012 Å
• α: 90°
• β: 112.658 ± 0.014°
• γ: 90°
• Cell volume: 643.71 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No