Information card for entry 4102138

Structure parameters

• Formula: C15 H13 Mn N O5
• Calculated formula: C15 H13 Mn N O5
• Title of publication: MnII-based MIL-53 Analogues: Synthesis Using Neutral Bridging μ2-Ligands and Application in Liquid-Phase Adsorption and Separation of C6-C8 Aromatics
• Authors of publication: Guohai Xu; Xiaoguang Zhang; Peng Guo; Chengling Pan; Hongjie Zhang; Cheng Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3656 - 3657
• a: 7.4362 ± 0.0012 Å
• b: 10.2754 ± 0.0016 Å
• c: 10.923 ± 0.003 Å
• α: 114.436 ± 0.004°
• β: 104.89 ± 0.004°
• γ: 96.042 ± 0.003°
• Cell volume: 712.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No