Information card for entry 2230272

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(2,2'-bipyridine)manganese(II)]-μ~3~-4,4'- sulfonyldibenzoato]
• Formula: C24 H16 Mn N2 O6 S
• Calculated formula: C24 H16 Mn N2 O6 S
• SMILES: [Mn]1234([O]=C(O1)c1ccc(S(=O)(=O)c5ccc(cc5)C(=O)O[Mn]56([O]=C(O5)c5ccc(S(=O)(=O)c7ccc(cc7)C(=[O]3)O[Mn]378([O]=C(O4)c4ccc(S(=O)(=O)c9ccc(cc9)C9=[O][Mn]%10(O9)([n]9ccccc9c9[n]%10cccc9)OC(=O)c9ccc(S(=O)(=O)c%10ccc(cc%10)C(=[O]3)O7)cc9)cc4)[n]3ccccc3c3[n]8cccc3)cc5)[n]3ccccc3c3[n]6cccc3)cc1)[n]1ccccc1c1[n]2cccc1
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyridine)manganese(II)]-μ~3~-4,4'-sulfonyldibenzoato]
• Authors of publication: Yan, Shi-Wei; Zhang, Guang-Ju; Chen, Hai-Yan; Chang, Suo-Cheng; Zhang, Fu-Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m712
• a: 12.302 ± 0.003 Å
• b: 15.386 ± 0.003 Å
• c: 12.255 ± 0.003 Å
• α: 90°
• β: 111.06 ± 0.03°
• γ: 90°
• Cell volume: 2164.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes