Information card for entry 2231160

Structure parameters

• Chemical name: <i>trans</i>-Bis(acetato-<i>κO</i>)diaquabis(2-aminopyrazine- κ<i>N</i>^4^)manganese(II) dihydrate
• Formula: C12 H24 Mn N6 O8
• Calculated formula: C12 H24 Mn N6 O8
• SMILES: c1[n](cc(N)nc1)[Mn](OC(=O)C)([OH2])([n]1ccnc(c1)N)(OC(=O)C)[OH2].O.O
• Title of publication: <i>trans</i>-Bis(acetato-κ<i>O</i>)diaquabis(2-aminopyrazine-κ<i>N</i>^4^)manganese(II) dihydrate
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1140
• a: 7.0761 ± 0.0007 Å
• b: 8.5411 ± 0.0008 Å
• c: 9.5162 ± 0.001 Å
• α: 100.866 ± 0.003°
• β: 105.036 ± 0.003°
• γ: 110.25 ± 0.003°
• Cell volume: 495.92 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes