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Information card for entry 4515847
Preview
| Coordinates | 4515847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225947 (current) | 2019-11-10 | cif/ Adding structures of 4515847 via cif-deposit CGI script. |
4515847.cif |
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Users of the data should acknowledge the original authors of the
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