Information card for entry 4119461

Structure parameters

• Formula: C15 H14 Cu N6 O2
• Calculated formula: C15 H14 Cu N6 O2
• 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: 12.5434 ± 0.0003 Å
• b: 11.2251 ± 0.0002 Å
• c: 11.9059 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1676.36 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor R(I) for significantly intense reflections: 0.0533
• Goodness-of-fit parameter for all reflections: 1.22
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41308 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes