Information card for entry 1540387

Structure parameters

• Formula: C78 H196 Cu6 Li4 Mn4 N12 O104
• Calculated formula: C78 H60 Cu6 Li4 Mn4 N12 O40
• 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: 36.71 ± 0.02 Å
• b: 36.71 ± 0.02 Å
• c: 15.414 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20772 ± 2 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: 0.2479
• Residual factor for significantly intense reflections: 0.2077
• Weighted residual factors for significantly intense reflections: 0.478
• Weighted residual factors for all reflections included in the refinement: 0.5
• Goodness-of-fit parameter for all reflections included in the refinement: 1.674
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No