Information card for entry 2103716

Structure parameters

• Chemical name: Manganese(II) Bis(hydrogenmalonate) Dihydrate
• Formula: C6 H10 Mn O10
• Calculated formula: C6 H10 Mn O10
• SMILES: [Mn]12([O]=C(O)CC(=O)O1)([O]=C(O)CC(=O)O2)([OH2])[OH2]
• Title of publication: Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models
• Authors of publication: Lenstra, A. T. H.; Kataeva, O. N.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 497 - 506
• a: 7.0909 ± 0.0007 Å
• b: 7.3518 ± 0.0007 Å
• c: 9.577 ± 0.001 Å
• α: 90°
• β: 99.73 ± 0.02°
• γ: 90°
• Cell volume: 492.08 ± 0.09 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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: 0.208
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections: 3.059
• Goodness-of-fit parameter for all reflections included in the refinement: 3.561
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes