Information card for entry 4515370

Structure parameters

• Formula: C18 H10 Ba2 N2 O11
• Calculated formula: C18 H10 Ba2 N2 O11
• Title of publication: Honeycomb Metal-Organic Framework with Lewis Acidic and Basic Bifunctional Sites: Selective Adsorption and CO₂ Catalytic Fixation.
• Authors of publication: Li, Xiu-Yuan; Ma, Li-Na; Liu, Yang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 10965 - 10973
• a: 13.841 ± 0.004 Å
• b: 13.841 ± 0.004 Å
• c: 47.743 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7921 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No