Information card for entry 2200009

Structure parameters

• Chemical name: catena-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene- 1,3-dicarboxylato-κ^3^O:O',O'']
• Formula: C18 H13 Mn N3 O7
• Calculated formula: C18 H13 Mn N3 O7
• SMILES: [Mn]12([n]3c(c4cccc[n]14)cccc3)(OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)[O-])([OH2])[O]=C(c1cc(cc(c1)N(=O)=O)C(=O)O[Mn]1([n]3c(c4cccc[n]14)cccc3)[OH2])O2
• Title of publication: <i>catena</i>-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']
• Authors of publication: Xie, Gang; Zeng, Ming-Hua; Chen, San-Ping; Gao, Sheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2273 - m2275
• a: 5.2027 ± 0.0002 Å
• b: 17.8203 ± 0.0007 Å
• c: 19.0427 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.52 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes