Information card for entry 2214285

Structure parameters

• Chemical name: Diaqua(1,10-phenanthroline-5,6-dione-κ^2^N,N^,^)(pyridine-2,6-dicarboxylato- κ^3^O,N,O')manganese(II) dihydrate
• Formula: C19 H17 Mn N3 O10
• Calculated formula: C19 H17 Mn N3 O10
• SMILES: [n]12[Mn]34([OH2])([n]5cccc6c5c5c(ccc[n]35)C(=O)C6=O)(OC(=O)c1cccc2C(=O)O4)[OH2].O.O
• Title of publication: Diaqua(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>)(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')manganese(II) dihydrate
• Authors of publication: Hong-Guang Ge; Qiong Xu; Xiao-Hua Guo; Wu-Juan Sun; Cai-Bin Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1798 - m1798
• a: 10.1751 ± 0.0011 Å
• b: 14.8325 ± 0.0011 Å
• c: 14.6121 ± 0.0013 Å
• α: 90°
• β: 109.861 ± 0.001°
• γ: 90°
• Cell volume: 2074.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes