Information card for entry 4113314

Structure parameters

• Common name: Manganese prussian blue analogue
• Formula: C4 H10.16 Mn1.67 N4 O5.08
• Calculated formula: C4.02 Mn1.67 N4.02 O5.06
• Title of publication: Crystalline, Mixed-Valence Manganese Analogue of Prussian Blue: Magnetic, Spectroscopic, X-ray and Neutron Diffraction Studies
• Authors of publication: Patrick Franz; Christina Ambrus; Andreas Hauser; Dmitry Chernyshov; Marc Hostettler; Jürg Hauser; Lukas Keller; Karl Krämer; Helen Stoeckli-Evans; Philip Pattison; Hans-Beat Bürgi; Silvio Decurtins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16472 - 16477
• a: 10.617 ± 0.002 Å
• b: 10.617 ± 0.002 Å
• c: 10.617 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1196.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No