Information card for entry 7227098

Structure parameters

• Common name: NJU-Bai18
• Formula: C17 H11 Cl Co N2 O2
• Calculated formula: C17 H11 Cl Co N2 O2
• Title of publication: A S4N4-like [Co4(μ-Cl)4] based metal‒organic framework with sum topology and selective CO2 uptake
• Authors of publication: Liu, Huiyan; Meng, Fei; Lu, Zhiyong; Bai, Junfeng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 47
• Pages of publication: 9003
• a: 17.5317 ± 0.0012 Å
• b: 17.5317 ± 0.0012 Å
• c: 15.757 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4843.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No