Information card for entry 7241530

Structure parameters

• Chemical name: BSF-74
• Formula: C68 H60 B24 Cl24 Cu2 N8 O4
• Calculated formula: C68 H60 B24 Cl24 Cu2 N8 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: 33.475 ± 0.003 Å
• b: 33.475 ± 0.003 Å
• c: 39.463 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44221 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No