Information card for entry 2230164

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato- κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Formula: C28 H30 Mn N2 O6 S2
• Calculated formula: C28 H30 Mn N2 O6 S2
• SMILES: [Mn](OC(=O)CSc1ccc(C)cc1)([OH2])(OC(=O)CSc1ccc(cc1)C)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Mn](OC(=O)CSc1ccc(cc1)C)(OC(=O)CSc1ccc(cc1)C)([OH2])([OH2])[n]1ccc(c2ccncc2)cc1
• Title of publication: <i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato-κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
• Authors of publication: Zheng, Xiao-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m524
• a: 21.75 ± 0.004 Å
• b: 11.618 ± 0.002 Å
• c: 11.028 ± 0.002 Å
• α: 90°
• β: 93.24 ± 0.03°
• γ: 90°
• Cell volume: 2782.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes