Information card for entry 1540388

Structure parameters

• Formula: C78 H198 Cu6 K4 Mn4 N12 O105
• Calculated formula: C78 H60 Cu6 K4 Mn4 N12 O55
• Title of publication: Cation Exchange in Dynamic 3D Porous Magnets: Improvement of the Physical Properties.
• Authors of publication: Grancha, Thais; Acosta, Alvaro; Cano, Joan; Ferrando-Soria, Jesús; Seoane, Beatriz; Gascon, Jorge; Pasán, Jorge; Armentano, Donatella; Pardo, Emilio
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10834 - 10840
• a: 37.492 ± 0.008 Å
• b: 37.492 ± 0.008 Å
• c: 15.557 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21868 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.2687
• Residual factor for significantly intense reflections: 0.1699
• Weighted residual factors for significantly intense reflections: 0.3668
• Weighted residual factors for all reflections included in the refinement: 0.3939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.525
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No