Information card for entry 2217688

Structure parameters

• Chemical name: Hexaaquamanganese(II) dipicrate dihydrate
• Formula: C12 H20 Mn N6 O22
• Calculated formula: C12 H20 Mn N6 O22
• SMILES: c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.O
• Title of publication: Hexaaquamanganese(II) dipicrate dihydrate
• Authors of publication: Liu, Changying; Shi, Xiufang; Du, Bin; Wu, Chunli; Zhang, Mingjie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m270 - m271
• a: 25.344 ± 0.006 Å
• b: 7.1625 ± 0.0017 Å
• c: 13.217 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399.2 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes