Information card for entry 2230168

Structure parameters

• Chemical name: Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4- carboxylato)]manganese(II)
• Formula: C13 H14 Mn N4 O10
• Calculated formula: C13 H14 Mn N4 O10
• SMILES: C1(=O)c2c(C(=O)O)[nH]c3CCCc4[n]5[Mn]([n]23)(O1)([OH2])(OC(=O)c5c(C(=O)O)[nH]4)[OH2]
• Title of publication: Diaqua[5,5'-dicarboxy-2,2'-(propane-1,3-diyl)bis(1<i>H</i>-imidazole-4-carboxylato)]manganese(II)
• Authors of publication: Yang, Huai-Xia; Zhou, Xiaoli; Jin, Guanghua; Meng, Xiang-Ru
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m560
• a: 15.62 ± 0.003 Å
• b: 8.531 ± 0.0017 Å
• c: 12.739 ± 0.003 Å
• α: 90°
• β: 97.07 ± 0.03°
• γ: 90°
• Cell volume: 1684.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes