Information card for entry 2103558

Structure parameters

• Common name: Mnac
• Chemical name: manganese acetate tetrahydrate
• Formula: C4 H6 D8 Mn O8
• Calculated formula: C4 H6 D5.10933 Mn0.833333 O8
• Title of publication: Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics
• Authors of publication: Nicolaï, Béatrice; Kearley, Gordon J.; Cousson, Alain; Paulus, Werner; Fillaux, François; Gentner, Fabien; Schröder, Ludger; Watkin, David
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 36 - 44
• a: 10.88 ± 0.03 Å
• b: 17.39 ± 0.03 Å
• c: 9.04 ± 0.02 Å
• α: 90°
• β: 118.8 ± 0.2°
• γ: 90°
• Cell volume: 1499 ± 7 ų
• Cell temperature: 14 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0383
• Goodness-of-fit parameter for significantly intense reflections: 1.0678
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.8308 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No