Information card for entry 7241529

Structure parameters

• Chemical name: BSF-72
• Formula: C48 H36 B12 Cl12 Cu2 N6 O4
• Calculated formula: C48 H36 B12 Cl12 Cu2 N6 O4
• Title of publication: Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation
• Authors of publication: Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 282 - 291
• a: 13.943 ± 0.003 Å
• b: 14.893 ± 0.003 Å
• c: 15.01 ± 0.003 Å
• α: 94.689 ± 0.004°
• β: 104.281 ± 0.004°
• γ: 115.487 ± 0.004°
• Cell volume: 2663 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1483
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2213
• Weighted residual factors for all reflections included in the refinement: 0.2465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No