Information card for entry 2203055

Structure parameters

• Chemical name: catena-Poly[bis[(2,2'-bipyridine-κ^2^N,N')manganese(II)]-di-μ-4- hydroxyisophthalato]
• Formula: C36 H24 Mn2 N4 O10
• Calculated formula: C36 H24 Mn2 N4 O10
• SMILES: [Mn]123([O]=C(O1)c1c(O)ccc(c1)C1=[O][Mn]456(OC(=[O][Mn]78(O1)([O]=C(O7)c1c(O)ccc(c1)C(=O)O2)[n]1ccccc1c1[n]8cccc1)c1ccc(O)c(C2=[O][Mn]7(O2)(OC(=O)c2ccc(O)c(C(=[O]4)O5)c2)[n]2ccccc2c2[n]7cccc2)c1)[n]1ccccc1c1[n]6cccc1)[n]1ccccc1c1[n]3cccc1
• Title of publication: <i>catena</i>-Poly[bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')manganese(II)]-di-μ-4-hydroxyisophthalato]
• Authors of publication: Zhang, Xian-Ming; Fang, Rui-Qin; Wu, Hai-Shun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m50 - m52
• a: 9.473 ± 0.001 Å
• b: 10.694 ± 0.001 Å
• c: 17.9 ± 0.002 Å
• α: 79.413 ± 0.002°
• β: 86.879 ± 0.003°
• γ: 64.923 ± 0.002°
• Cell volume: 1613.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes