Information card for entry 4119458

Structure parameters

• Formula: C15 H14 Cu N6 O4
• Calculated formula: C15 H14 Cu N6 O4
• 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: 9.0102 ± 0.0008 Å
• b: 10.0302 ± 0.0009 Å
• c: 11.2964 ± 0.0008 Å
• α: 73.969 ± 0.006°
• β: 72.081 ± 0.007°
• γ: 65.936 ± 0.004°
• Cell volume: 873.51 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 R(I) for significantly intense reflections: 0.0549
• Goodness-of-fit parameter for all reflections: 3.45
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6124 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes