Information card for entry 1571219

Structure parameters

• Formula: C8.1 H18.2 B10 Cu N O4
• Calculated formula: C8.1 H18.2 B10 Cu N O4
• Title of publication: A novel hydrophobic carborane-hybrid microporous material for reversed C₂H₆ adsorption and efficient C₂H₄/C₂H₆ separation under humid conditions.
• Authors of publication: Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 5653 - 5659
• a: 11.1145 ± 0.0006 Å
• b: 11.1145 ± 0.0006 Å
• c: 9.5867 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1184.27 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 115
• Hermann-Mauguin space group symbol: P -4 m 2
• Hall space group symbol: P -4 -2
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No