Information card for entry 7240136

Structure parameters

• Formula: C20 H28 B12 Cu N4
• Calculated formula: C20 H28.0008 B12.0008 Cu N4
• 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: 15.6766 ± 0.001 Å
• b: 15.6766 ± 0.001 Å
• c: 20.1231 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4945.4 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No