Information card for entry 2219568

Structure parameters

• Chemical name: Pentaaqua[5,5'-(m-phenylene)ditetrazolato-κ<i>N</i>^2^]manganese(II) dihydrate
• Formula: C8 H18 Mn N8 O7
• Calculated formula: C8 H18 Mn N8 O7
• SMILES: [Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[n]1nc(nn1)c1cccc(c1)c1n[n-]nn1.O.O
• Title of publication: Pentaaqua[5,5'-(<i>m</i>-phenylene)ditetrazolato-κ<i>N</i>^2^]manganese(II) dihydrate
• Authors of publication: Lü, Yuanqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1255
• a: 6.5932 ± 0.0001 Å
• b: 10.0711 ± 0.0002 Å
• c: 12.9857 ± 0.0003 Å
• α: 68.296 ± 0.001°
• β: 77.213 ± 0.003°
• γ: 77.28 ± 0.005°
• Cell volume: 772.1 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No