Information card for entry 4515847

Structure parameters

• Formula: C22 H18 Cd N4 O4
• Calculated formula: C22 H18 Cd N4 O4
• Title of publication: Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.
• Authors of publication: Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian
• Journal of publication: ACS central science
• Year of publication: 2018
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1194 - 1200
• a: 18.855 ± 0.004 Å
• b: 18.855 ± 0.004 Å
• c: 8.0473 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2860.9 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No