Information card for entry 4119455

Structure parameters

• Formula: C18 H22 Cu N6 O2.5
• Calculated formula: C18 H21 Cu N6 O2.5
• Title of publication: Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System
• Authors of publication: Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 4040 - 4050
• a: 8.966 ± 0.003 Å
• b: 10.032 ± 0.004 Å
• c: 11.215 ± 0.004 Å
• α: 74.336 ± 0.005°
• β: 72.466 ± 0.005°
• γ: 65.955 ± 0.004°
• Cell volume: 865.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No