Information card for entry 1561169

Structure parameters

• Formula: C2 H4 Mn O6
• Calculated formula: C2 H4 Mn O6
• SMILES: [Mn]12([O]=C3C(=[O][Mn]([OH2])([OH2])O3)O1)([OH2])(OC(=O)C(=O)O2)[OH2]
• Title of publication: Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O
• Authors of publication: Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 260
• Pages of publication: 87 - 94
• a: 11.939 ± 0.005 Å
• b: 5.6241 ± 0.0007 Å
• c: 9.703 ± 0.003 Å
• α: 90°
• β: 126.52 ± 0.06°
• γ: 90°
• Cell volume: 523.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No