Information card for entry 7125609

Structure parameters

• Formula: C12 H13 Mn N O5
• Calculated formula: C12 H13 Mn N O5
• Title of publication: Reversible crystal-to-amorphous-to-crystal phase transition and a large magnetocaloric effect in a spongelike metal organic framework material.
• Authors of publication: Tian, Chong-Bin; Chen, Rui-Ping; He, Chao; Li, Wei-Jin; Wei, Qi; Zhang, Xu-Dong; Du, Shao-Wu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 1915 - 1917
• a: 7.491 ± 0.003 Å
• b: 15.386 ± 0.006 Å
• c: 11.226 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1293.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No