Information card for entry 7117108

Structure parameters

• Formula: C8 H14 Cr Mn N O12
• Calculated formula: C8 H13.98 Cr Mn N0.99 O12
• Title of publication: A heterometallic strategy to achieve a large magnetocaloric effect in polymeric 3d complexes
• Authors of publication: Jiong-Peng Zhao; Song-De Han; Xue Jiang; Sui-Jun Liu; Ran Zhao; Ze Chang; Xian-He Bu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8288
• a: 8.2865 ± 0.0012 Å
• b: 8.2865 ± 0.0012 Å
• c: 13.88 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 825.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No