Information card for entry 1515486

Structure parameters

• Formula: C2 H3 Mn O3
• Calculated formula: C2 H3 Mn O3
• Title of publication: Evolution of the structures and magnetic properties of the manganese dicarboxylates, Mn2(CO2(CH2)nCO2)(OH)2 and Mn4(CO2(CH2)nCO2)3(OH)2
• Authors of publication: Saines, Paul J.; Jain, Prashant; Cheetham, Anthony K.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1929
• a: 5.8745 ± 0.0003 Å
• b: 7.4316 ± 0.0005 Å
• c: 7.9227 ± 0.0005 Å
• α: 90°
• β: 92.414 ± 0.004°
• γ: 90°
• Cell volume: 345.57 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No