Information card for entry 2015088

Structure parameters

• Chemical name: tetraaquabis(1-hydroxy-2-naphthoato)manganese(II)
• Formula: C22 H22 Mn O10
• Calculated formula: C22 H22 Mn O10
• SMILES: [Mn]([OH2])([OH2])(OC(=O)c1c(O)c2c(cc1)cccc2)(OC(=O)c1c(O)c2c(cc1)cccc2)([OH2])[OH2]
• Title of publication: Magnetic properties of two double-layer structures built from hydroxynaphthoic acids and manganese
• Authors of publication: Schmidt, Martin U.; Alig, Edith; Fink, Lothar; Bolte, Michael; Panisch, Robin; Pashchenko, Volodymyr; Wolf, Bernd; Lang, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m361 - m364
• a: 6.8188 ± 0.0005 Å
• b: 5.2121 ± 0.0003 Å
• c: 29.639 ± 0.003 Å
• α: 90°
• β: 94.917 ± 0.007°
• γ: 90°
• Cell volume: 1049.5 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes