Information card for entry 7057829

Structure parameters

• Chemical name: MnSO4(MXDA)
• Formula: C8 H12 Mn N2 O4 S
• Calculated formula: C8 H12 Mn N2 O4 S
• Title of publication: Two-step magnetic transition in hybrid organic‒inorganic materials of the (m-xylylenediamine)MeSO4 (Me ‒ Mn, Fe, Co, Ni) type
• Authors of publication: Luberda-Durnaś, K.; Konieczny, P.; Pełka, R.; Oszajca, M.; Gonzalez Guillen, A.; Korecki, J.; Ciesielska, Z.; Łasocha, W.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 18225
• a: 9.8032 ± 0.0007 Å
• b: 10.9845 ± 0.0006 Å
• c: 4.9528 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 533.33 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 26
• Hermann-Mauguin space group symbol: P 21 m a
• Hall space group symbol: P -2a 2a
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0595
• Goodness-of-fit parameter for all reflections: 2.41
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No