Information card for entry 2218386

Structure parameters

• Chemical name: Diaqua[5-(2-pyridyl)tetrazolato-κ^2^N^1^,N^5^]manganese(II)
• Formula: C12 H12 Mn N10 O2
• Calculated formula: C12 H12 Mn N10 O2
• SMILES: c12c3cccc[n]3[Mn]3(n1nnn2)([OH2])([n]1c(cccc1)c1n3nnn1)[OH2]
• Title of publication: Diaqua[5-(2-pyridyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]manganese(II)
• Authors of publication: Wen, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m768
• a: 6.185 ± 0.003 Å
• b: 12.11 ± 0.007 Å
• c: 10.615 ± 0.005 Å
• α: 90°
• β: 106.597 ± 0.012°
• γ: 90°
• Cell volume: 761.9 ± 0.7 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: 0.0304
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes