Information card for entry 2237503

Structure parameters

• Chemical name: Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)
• Formula: C8 H10 Mn N4 O6
• Calculated formula: C8 H10 Mn N4 O6
• SMILES: C1(=O)c2c[nH]c[n]2[Mn]2(O1)([OH2])([n]1c(C(=O)O2)c[nH]c1)[OH2]
• Title of publication: Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)
• Authors of publication: Xiong, Zhi-Yong; Li, Lin; Zhao, Xiang-Jie; Chen, Hai-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m172
• a: 7.3052 ± 0.001 Å
• b: 11.7997 ± 0.0017 Å
• c: 13.5156 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1165 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes