Information card for entry 2225891

Structure parameters

• Chemical name: Tetraaquabis[4-(imidazol-1-yl-κ<i>N</i>^3^)benzoato]manganese(II)
• Formula: C20 H22 Mn N4 O8
• Calculated formula: C20 H22 Mn N4 O8
• SMILES: [OH2][Mn]([n]1cn(cc1)c1ccc(cc1)C(=O)[O-])([n]1cn(cc1)c1ccc(cc1)C(=O)[O-])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[4-(imidazol-1-yl-κ<i>N</i>^3^)benzoato]manganese(II)
• Authors of publication: Zhu, Lei; Wang, Dabin; Xu, Hongyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m513
• a: 12.278 ± 0.012 Å
• b: 11.026 ± 0.011 Å
• c: 7.978 ± 0.007 Å
• α: 90°
• β: 96.91 ± 0.02°
• γ: 90°
• Cell volume: 1072.2 ± 1.8 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: 0.037
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes