Information card for entry 2234495

Structure parameters

• Chemical name: <i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl- κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate
• Formula: C20 H26 Mn N12 O6
• Calculated formula: C20 H26 Mn N12 O6
• Title of publication: <i>cis</i>-Tetraaquabis{5-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)phenyl]tetrazolido}manganese(II) dihydrate
• Authors of publication: Tong, Shao-Wei; Song, Wen-Dong; Miao, Dong-Liang; Li, Shi-Jie; An, Jing-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m433 - m434
• a: 19.1342 ± 0.0018 Å
• b: 13.21 ± 0.0004 Å
• c: 13.328 ± 0.0013 Å
• α: 90°
• β: 131.056 ± 0.002°
• γ: 90°
• Cell volume: 2540.3 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes