Information card for entry 2217892

Structure parameters

• Chemical name: Diaquabis(pyrazine-2-carboxylato-κ^2^N^1^,O)manganese(II) dihydrate
• Formula: C10 H14 Mn N4 O8
• Calculated formula: C10 H14 Mn N4 O8
• SMILES: C1(=O)c2cncc[n]2[Mn]2([n]3c(C(=O)O2)cncc3)(O1)([OH2])[OH2].O.O
• Title of publication: Diaquabis(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)manganese(II) dihydrate
• Authors of publication: Xie, Hui-Dong; Xie, Cheng-Zhi; Dang, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m558
• a: 7.233 ± 0.002 Å
• b: 13.003 ± 0.004 Å
• c: 8.257 ± 0.003 Å
• α: 90°
• β: 102.207 ± 0.005°
• γ: 90°
• Cell volume: 759 ± 0.4 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: 0.0459
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes