Information card for entry 2225073

Structure parameters

• Chemical name: Poly[[tris(μ~3~-2-oxidopyridinium-3-carboxylato)manganese(II)sodium(I)] monohydrate]
• Formula: C18 H14 Mn N3 Na O10
• Calculated formula: C18 H14.0001 Mn N3 Na O10
• Title of publication: Poly[[tris(μ~3~-2-oxidopyridinium-3-carboxylato)manganese(II)sodium(I)] monohydrate]
• Authors of publication: Zhang, Bing-Yu; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m213 - m214
• a: 10.1478 ± 0.0018 Å
• b: 10.1478 Å
• c: 37.42 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3337.2 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes