Information card for entry 2225738

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(μ-4-hydroxybenzoato)bis[(4- hydroxybenzoato)manganese(II)]]- di-μ-4,4'-bipyridine] 4,4'-bipyridine disolvate tetrahydrate]
• Formula: C34 H30 Mn N4 O8
• Calculated formula: C34 H30 Mn N4 O8
• SMILES: [Mn]123([O]=C(O1)c1ccc(O)cc1)([O]=C(O[Mn]1([O]=C(O1)c1ccc(O)cc1)([O]=C(O2)c1ccc(O)cc1)([n]1ccc(cc1)c1ccncc1)[n]1ccc(c2cc[n]([Mn]45([O]=C(O[Mn]6([O]=C(O6)c6ccc(O)cc6)([n]6ccc(cc6)c6cc[n]3cc6)[O]=C(O5)c3ccc(O)cc3)c3ccc(O)cc3)[O]=C(O4)c3ccc(O)cc3)cc2)cc1)c1ccc(O)cc1)[n]1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1.O.O.n1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[[bis(μ-4-hydroxybenzoato)bis[(4-hydroxybenzoato)manganese(II)]]-di-μ-4,4'-bipyridine] 4,4'-bipyridine disolvate tetrahydrate]
• Authors of publication: Zhao, Qi-Hua; Zhao, Lei; Wang, Kun-Miao; Zhou, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m358
• a: 18.1031 ± 0.0017 Å
• b: 11.6448 ± 0.0011 Å
• c: 31.771 ± 0.003 Å
• α: 90°
• β: 104.957 ± 0.001°
• γ: 90°
• Cell volume: 6470.6 ± 1.1 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: 0.114
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes