Information card for entry 2232908

Structure parameters

• Chemical name: Tetraaquabis{5-[4-(imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II)
• Formula: C20 H22 Mn N12 O4
• Calculated formula: C20 H22 Mn N12 O4
• SMILES: c1(ccc(cc1)c1[n-]nnn1)n1c[n](cc1)[Mn]([n]1cn(c2ccc(cc2)c2[n-]nnn2)cc1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis{5-[4-(imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II)
• Authors of publication: Cheng, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1757
• a: 8.415 ± 0.003 Å
• b: 8.458 ± 0.003 Å
• c: 8.722 ± 0.003 Å
• α: 80.758 ± 0.005°
• β: 75.88 ± 0.004°
• γ: 88.791 ± 0.005°
• Cell volume: 594.1 ± 0.4 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: 0.0357
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes