Information card for entry 2215618

Structure parameters

• Chemical name: poly[di-μ~2~-aqua-di-μ~5~-oxalato-μ~4~-oxalato-disodiumdimanganese(II)],
• Formula: C6 H4 Mn2 Na2 O14
• Calculated formula: C6 H4 Mn2 Na2 O14
• SMILES: [Mn]123([OH2])OC(=O)C(=[O]1)O[Mn]14([OH2])(OC(=O)C(=O)O1)[O]=C1C(O4)=[O][Mn]4(O1)([OH2])OC(=O)C(=[O]4)O[Mn]14(OC(=O)C(=O)O1)([O]=C(C(=[O]2)O4)O3)[OH2].[Na+].[Na+].[Na+].[Na+]
• Title of publication: Disodium dimanganese(II) trioxalate dihydrate
• Authors of publication: Xin-Yang Huang; Yu-Ling Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2577 - m2577
• a: 5.937 ± 0.002 Å
• b: 15.785 ± 0.006 Å
• c: 7.167 ± 0.003 Å
• α: 90°
• β: 100.416 ± 0.004°
• γ: 90°
• Cell volume: 660.6 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• 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: 0.0269
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes