Information card for entry 2204323

Structure parameters

• Chemical name: Diaquabis(1H-imidazole-κN^3^)bis(nitrobenzoato-κO)manganese(II)
• Formula: C20 H20 Mn N6 O10
• Calculated formula: C20 H20 Mn N6 O10
• SMILES: [Mn](OC(=O)c1ccc(cc1)N(=O)=O)(OC(=O)c1ccc(cc1)N(=O)=O)([OH2])([OH2])([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(nitrobenzoato-κ<i>O</i>)manganese(II)
• Authors of publication: Tu-Gen Xu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1462 - m1464
• a: 5.6745 ± 0.0003 Å
• b: 8.1082 ± 0.0003 Å
• c: 12.8399 ± 0.0006 Å
• α: 76.7284 ± 0.0015°
• β: 88.139 ± 0.002°
• γ: 86.3319 ± 0.0013°
• Cell volume: 573.71 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes