Information card for entry 2015666

Structure parameters

• Common name: 4,4'-bipyridinium poly[tetrachloromanganate(II)]
• Chemical name: catena-Poly[4,4'-bipyridinium [[dichloromanganese(II)]-di-μ-chloro]]
• Formula: C10 H10 Cl4 Mn N2
• Calculated formula: C5 H5 Cl2 Mn0.5 N
• SMILES: [Mn]1(Cl)(Cl)[Cl][Mn]([Cl]1)(Cl)(Cl)(Cl)Cl.[nH+]1ccc(cc1)c1cc[nH+]cc1.[nH+]1ccc(cc1)c1cc[nH+]cc1
• Title of publication: <i>catena</i>-Poly[4,4'-bipyridinium [[<i>cis</i>-dichloromanganese(II)]-di-μ-chloro]], a novel manganese(II) coordination polymer with 4,4'-bipyridinium
• Authors of publication: Li, Ming-Xue; Li, Su-Zhi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m525 - m526
• a: 6.9781 ± 0.0006 Å
• b: 12.7118 ± 0.0013 Å
• c: 14.1568 ± 0.0014 Å
• α: 90°
• β: 91.206 ± 0.002°
• γ: 90°
• Cell volume: 1255.5 ± 0.2 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: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0154
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes