Information card for entry 7240133

Structure parameters

• Formula: C20 H16 B12 Cu N8
• Calculated formula: C20 H16 B12 Cu N8
• Title of publication: Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation
• Authors of publication: Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 18.1416 ± 0.0015 Å
• b: 18.1416 ± 0.0015 Å
• c: 9.9851 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3286.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No