Information card for entry 1561167

Structure parameters

• Formula: C2 H6 Mn O7
• Calculated formula: C2 H6 Mn O7
• SMILES: [Mn]12([O]=C3C(=[O][Mn]([OH2])([OH2])O3)O1)([OH2])(OC(=O)C(=O)O2)[OH2].O.O
• 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: 9.7581 ± 0.0005 Å
• b: 6.61 ± 0.0004 Å
• c: 10.5127 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 678.08 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No