Information card for entry 2215797

Structure parameters

• Chemical name: Hexaaquamanganese(II) bis[5-(4-nitrophenyl)tetrazolate]
• Formula: C14 H20 Mn N10 O10
• Calculated formula: C14 H20 Mn N10 O10
• SMILES: c1(c2ccc(N(=O)=O)cc2)[n-]nnn1.[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2].c1(c2ccc(cc2)N(=O)=O)[n-]nnn1
• Title of publication: Hexaaquamanganese(II) bis[5-(4-nitrophenyl)tetrazolate]
• Authors of publication: Hu, Bin; Xu, Xiong-Bin; Li, Yong-Xiu; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2698 - m2698
• a: 7.954 ± 0.007 Å
• b: 10.317 ± 0.008 Å
• c: 13.537 ± 0.011 Å
• α: 90°
• β: 97.157 ± 0.016°
• γ: 90°
• Cell volume: 1102.2 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes