Information card for entry 7118665

Structure parameters

• Formula: C21 H24 B Cd N9 O4
• Calculated formula: C21 H24 B Cd N9 O4
• Title of publication: Selectivity of CO2via pore space partition in zeolitic boron imidazolate frameworks.
• Authors of publication: Zhang, Hai-Xia; Liu, Min; Xu, Guilan; Liu, Liyang; Zhang, Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 17
• Pages of publication: 3552 - 3555
• a: 9.003 ± 0.005 Å
• b: 17.382 ± 0.011 Å
• c: 17.057 ± 0.011 Å
• α: 90°
• β: 104.595 ± 0.01°
• γ: 90°
• Cell volume: 2583 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No