Information card for entry 2203799

Structure parameters

• Chemical name: Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate
• Formula: C12 H20 Mn N2 O10 S
• Calculated formula: C12 H20 Mn N2 O10 S
• SMILES: [Mn]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].O.O
• Title of publication: Tetraaquaphenanthrolinemanganese(II) sulfate dihydrate
• Authors of publication: Hui Wu; Jun Zhou; Huizhen Yu; Leilei Lu; Zhou Xu; Yu Wan; Daqing Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m822 - m824
• a: 8.877 ± 0.001 Å
• b: 18.508 ± 0.003 Å
• c: 22.098 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3630.6 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes