Information card for entry 1515488

Structure parameters

• Formula: C7 H12 Mn2 O6
• Calculated formula: C7 H12 Mn2 O6
• 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: 8.1123 ± 0.001 Å
• b: 9.3629 ± 0.0011 Å
• c: 13.462 ± 0.0018 Å
• α: 90°
• β: 94.88 ± 0.007°
• γ: 90°
• Cell volume: 1018.8 ± 0.2 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: 0.0992
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No