Information card for entry 2013950

Structure parameters

• Chemical name: catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ-terephthalato- κ^3^O,O':O'']
• Formula: C18 H14 Mn N2 O5
• Calculated formula: C18 H14 Mn N2 O5
• SMILES: [Mn]12([O]=C(O1)c1ccc(cc1)C(=O)[O-])([OH2])([n]1ccccc1c1[n]2cccc1)OC(=O)c1ccc(cc1)C1=[O][Mn]2([OH2])(O1)[n]1ccccc1c1[n]2cccc1
• Title of publication: <i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-terephthalato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']
• Authors of publication: Ma, Cheng-Bing; Hu, Ming-Qiang; Zhang, Chun-Xia; Chen, Feng; Chen,Chang-Neng; Liu, Qiu-Tian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m288 - m290
• a: 9.8637 ± 0.0002 Å
• b: 16.3316 ± 0.0005 Å
• c: 11.311 ± 0.0001 Å
• α: 90°
• β: 111.726 ± 0.002°
• γ: 90°
• Cell volume: 1692.66 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes