Information card for entry 2218579

Structure parameters

• Chemical name: Tetraaquabis{5-[2-(1H-tetrazol-5-yl)ethenyl]pyrazolato-κN^2^}manganese(II) dihydrate
• Formula: C8 H18 Mn N16 O6
• Calculated formula: C8 H18 Mn N16 O6
• SMILES: c1(/C=C/c2nnn[nH]2)nn(nn1)[Mn]([OH2])([OH2])(n1nc(/C=C/c2nnn[nH]2)nn1)([OH2])[OH2].O.O
• Title of publication: Tetraaquabis{5-[2-(1<i>H</i>-tetrazol-5-yl)ethenyl]pyrazolato-κ<i>N</i>^2^}manganese(II) dihydrate
• Authors of publication: Hu, Tuoping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m772
• a: 6.2296 ± 0.0002 Å
• b: 7.0093 ± 0.0002 Å
• c: 12.1212 ± 0.0003 Å
• α: 84.405 ± 0.001°
• β: 89.457 ± 0.001°
• γ: 67.016 ± 0.001°
• Cell volume: 484.7 ± 0.02 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.023
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes