Information card for entry 2211738

Structure parameters

• Chemical name: catena-Poly[[[di-μ-acetato-κ^4^O:O'-bis[(acetato-κ^2^O,O')manganese(II)]]- di-μ-4,4'-bipyridine-κ^4^N:N'] monohydrate]
• Formula: C28 H30 Mn2 N4 O9
• Calculated formula: C28 H30 Mn2 N4 O9
• SMILES: [Mn]123([O]=C(O1)C)[O]=C(C)O[Mn]1([O]=C(O3)C)([O]=C(O1)C)[n]1ccc(cc1)c1cc[n](cc1)[Mn]13([O]=C(O1)C)([O]=C(C)O[Mn]1([O]=C(O1)C)([O]=C(O3)C)([n]1ccc(c3cc[n]2cc3)cc1)[n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1ccncc1.O.O
• Title of publication: <i>catena</i>-Poly[[[di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]]-di-μ-4,4'-bipyridine-κ^4^<i>N</i>:<i>N</i>'] monohydrate]
• Authors of publication: Wang, Guan-Hua; Li, Zhi-Gang; Xu, Jing-Wei; Hu, Ning-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m289 - m291
• a: 13.385 ± 0.004 Å
• b: 11.664 ± 0.004 Å
• c: 19.47 ± 0.006 Å
• α: 90°
• β: 92.071 ± 0.005°
• γ: 90°
• Cell volume: 3037.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes