Information card for entry 7225019

Structure parameters

• Formula: C6 H8 Mg N2 O6
• Calculated formula: C6 H8 Mg N2 O6
• Title of publication: Structural, thermal, dielectric and phonon properties of perovskite-like imidazolium magnesium formate.
• Authors of publication: Mączka, Mirosław; Marinho Costa, Nathalia Leal; Gągor, Anna; Paraguassu, Waldeci; Sieradzki, Adam; Hanuza, Jerzy
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 13993 - 14000
• a: 12.1246 ± 0.0004 Å
• b: 12.2087 ± 0.0005 Å
• c: 12.4991 ± 0.0004 Å
• α: 90°
• β: 91.394 ± 0.003°
• γ: 90°
• Cell volume: 1849.64 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No