Information card for entry 2211792

Structure parameters

• Chemical name: Diaquabis[5-(pyrazin-2-yl)tetrazolato]manganese(II)
• Formula: C10 H10 Mn N12 O2
• Calculated formula: C10 H10 Mn N12 O2
• SMILES: c12cncc[n]2[Mn]2(n3c1nnn3)([n]1c(cncc1)c1n2nnn1)([OH2])[OH2]
• Title of publication: Diaquabis[5-(pyrazin-2-yl)tetrazolato]manganese(II)
• Authors of publication: Shao-Wei, Peng; Yan-Li, Miao; Wen-Dong,Song
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m253 - m254
• a: 5.984 ± 0.0003 Å
• b: 11.7421 ± 0.0005 Å
• c: 10.8646 ± 0.0005 Å
• α: 90°
• β: 104.731 ± 0.002°
• γ: 90°
• Cell volume: 738.31 ± 0.06 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: 0.0272
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes