Information card for entry 2228111

Structure parameters

• Chemical name: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquamanganese(II) monohydrate
• Formula: C10 H14 Mn N6 O7
• Calculated formula: C10 H14 Mn N6 O7
• SMILES: C1(=O)c2c(ncc[n]2[Mn]2(O1)([OH2])([n]1c(C(=O)O2)c(ncc1)N)[OH2])N.O
• Title of publication: Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquamanganese(II) monohydrate
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1223
• a: 8.3107 ± 0.0006 Å
• b: 29.5862 ± 0.0017 Å
• c: 12.3791 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3043.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes