Information card for entry 2018971

Structure parameters

• Chemical name: Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]
• Formula: C6 H8 Mn N2 O6
• Calculated formula: C6 H8 Mn N2 O6
• Title of publication: Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations
• Authors of publication: Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 616 - 619
• a: 12.332 ± 0.003 Å
• b: 12.461 ± 0.003 Å
• c: 12.85 ± 0.003 Å
• α: 90°
• β: 91.31 ± 0.03°
• γ: 90°
• Cell volume: 1974.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes