Information card for entry 2210292

Structure parameters

• Chemical name: Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate
• Formula: C18 H30 Mn N4 O14
• Calculated formula: C18 H30 Mn N4 O14
• SMILES: C1(=O)c2cccc3C(=O)O[Mn]45([n]23)(O1)[n]1c(C(=O)O4)cccc1C(=O)O5.[NH2+]1CC[NH2+]CC1.O.O.O.O.O.O
• Title of publication: Piperazinediium bis(pyridine-2,6-dicarboxylato)manganate(II) hexahydrate
• Authors of publication: Aghabozorg, Hossein; Ghasemikhah, Pouya; Soleimannejad, Janet; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2266 - m2268
• a: 13.553 ± 0.003 Å
• b: 8.4219 ± 0.0019 Å
• c: 22.215 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2535.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes