Information card for entry 2217821

Structure parameters

• Chemical name: Diaquabis(5-carboxy-2-methyl-1H-imidazole-4-carboxylato- κ^2^N^3^,O^4^)manganese(II)
• Formula: C12 H14 Mn N4 O10
• Calculated formula: C12 H14 Mn N4 O10
• SMILES: Cc1[n]2c(c(C(=O)O)[nH]1)C(=O)O[Mn]12([n]2c(C)[nH]c(C(=O)O)c2C(=O)O1)([OH2])[OH2]
• Title of publication: Diaquabis(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)
• Authors of publication: Zeng, Jian-Zhong; Yi, Xiu-Guang; Lin, Jun-Yue; Ying, Shao-Ming; Huang, Gan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m476
• a: 12.2047 ± 0.0012 Å
• b: 9.1607 ± 0.0009 Å
• c: 7.386 ± 0.0007 Å
• α: 90°
• β: 101.355 ± 0.002°
• γ: 90°
• Cell volume: 809.62 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes