Information card for entry 2235429

Structure parameters

• Chemical name: Tetraaquabis[5-(pyridin-3-yl)tetrazolido-κ<i>N</i>^5^]manganese(II) tetrahydrate
• Formula: C12 H24 Mn N10 O8
• Calculated formula: C12 H24 Mn N10 O8
• SMILES: c1c(c2[n-]nnn2)ccc[n]1[Mn]([OH2])([n]1cc(ccc1)c1[n-]nnn1)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaquabis[5-(pyridin-3-yl)tetrazolido-κ<i>N</i>^5^]manganese(II) tetrahydrate
• Authors of publication: Qi, Chen; He, Xiang; Shao, Min; Li, Ming-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m890
• a: 8.137 ± 0.008 Å
• b: 8.629 ± 0.008 Å
• c: 8.761 ± 0.008 Å
• α: 84.878 ± 0.01°
• β: 65.347 ± 0.008°
• γ: 72.571 ± 0.01°
• Cell volume: 533 ± 0.9 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: 0.034
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes