Information card for entry 2222757

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquadibromidomanganese(III)]-μ-pyridine-2-carboxylato]
• Formula: C6 H8 Br2 Mn N O4
• Calculated formula: C6 H8 Br2 Mn N O4
• SMILES: [Mn](Br)(Br)(OC(=O)c1ncccc1)([OH2])([OH2])[O]=C(O[Mn](Br)(Br)([OH2])[OH2])c1ncccc1
• Title of publication: <i>catena</i>-Poly[[diaquadibromidomanganese(III)]-μ-pyridine-2-carboxylato]
• Authors of publication: Kim, Nam-Ho; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m983 - m984
• a: 10.29 ± 0.003 Å
• b: 13.814 ± 0.004 Å
• c: 7.978 ± 0.003 Å
• α: 90°
• β: 109.81 ± 0.006°
• γ: 90°
• Cell volume: 1066.9 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes