Information card for entry 7715262

Structure parameters

• Formula: C57.1 H50.46 Mg4 O23.12
• Calculated formula: C57.102 H50.454 Mg4 O23.125
• Title of publication: Contracting pore channels of a magnesium-based metal-organic framework by decorating methyl groups for effective Xe/Kr separation.
• Authors of publication: Li, Liangjun; Zhang, Xu; Xu, Wenli; Guo, Mengwei; Liu, Qingying; Li, Fangru; Liu, Tao; Xing, Tao; Li, Zhi; Wang, Mingqing; Wu, Mingbo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 5917 - 5921
• a: 16.781 ± 0.002 Å
• b: 21.602 ± 0.003 Å
• c: 22.461 ± 0.003 Å
• α: 90°
• β: 103.077 ± 0.002°
• γ: 90°
• Cell volume: 7931 ± 1.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No