Information card for entry 8103034

Structure parameters

• Chemical name: Tetraaquadichloromanganese(II)
• Formula: Cl2 H8 Mn O4
• Calculated formula: Cl2 H8 Mn O4
• SMILES: [Mn](Cl)(Cl)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Refinement of crystal structure of tetraaquamanganese(II) dichloride, Mn(H2O)4Cl2
• Authors of publication: In-Chul Hwang; Kwang Ha
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 517
• a: 6.186 ± 0.003 Å
• b: 9.514 ± 0.004 Å
• c: 11.194 ± 0.005 Å
• α: 90°
• β: 99.776 ± 0.007°
• γ: 90°
• Cell volume: 649.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No