Information card for entry 7043630

Structure parameters

• Formula: C21 H16 B Cd N8 O6
• Calculated formula: C21 H16 B Cd N8 O6
• Title of publication: An Anionic Cd(II) Boron Imidazolate Framework with Reversible Structural Transformation and Biomolecular Sensing Properties
• Authors of publication: Chen, Shumei; Liu, Min; Xu, Guilan; Wen, Tian; Zhang, Jian
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.5284 ± 0.0002 Å
• b: 19.4191 ± 0.0006 Å
• c: 15.7472 ± 0.0004 Å
• α: 90°
• β: 95.757 ± 0.002°
• γ: 90°
• Cell volume: 2594.8 ± 0.12 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: 0.0526
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No