Information card for entry 2211265

Structure parameters

• Chemical name: catena-Poly[[diaqua(1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-acetylenedicarboxylato-κ^2^O:O']
• Formula: C16 H12 Mn N2 O6
• Calculated formula: C16 H12 Mn N2 O6
• SMILES: [Mn]1([OH2])([OH2])(OC(=O)C#CC(=O)[O-])([n]2cccc3ccc4ccc[n]1c4c23)OC(=O)C#CC(=O)O[Mn]1([OH2])([OH2])[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: <i>catena</i>-Poly[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-acetylenedicarboxylato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3281 - m3283
• a: 13.764 ± 0.003 Å
• b: 8.2793 ± 0.0017 Å
• c: 14.218 ± 0.003 Å
• α: 90°
• β: 97.24 ± 0.03°
• γ: 90°
• Cell volume: 1607.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes