Information card for entry 1561725

Structure parameters

• Formula: C17 H22 B Cd N9 O3
• Calculated formula: C17 H22 B Cd N9 O3
• Title of publication: A zeolitic Cd(II) boron imidazolate framework with sensing and catalytic properties
• Authors of publication: Liu, Liyang; Wen, Tian; Chen, Shumei; Zhang, Jian
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 231
• Pages of publication: 185 - 189
• a: 8.3944 ± 0.0007 Å
• b: 17.7981 ± 0.0012 Å
• c: 16.6732 ± 0.0015 Å
• α: 90°
• β: 112.949 ± 0.006°
• γ: 90°
• Cell volume: 2293.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No