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Information card for entry 1548217
Preview
| Coordinates | 1548217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 Cd N2 O4 |
|---|---|
| Calculated formula | C24 H16 Cd N2 O4 |
| Title of publication | Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour |
| Authors of publication | Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen |
| Journal of publication | Nature Communications |
| Year of publication | 2015 |
| Journal volume | 6 |
| Pages of publication | 6917 |
| a | 10.10785 ± 0.00019 Å |
| b | 17.0515 ± 0.0004 Å |
| c | 14.7514 ± 0.0003 Å |
| α | 90° |
| β | 97.9248 ± 0.0017° |
| γ | 90° |
| Cell volume | 2518.18 ± 0.09 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0552 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203602 (current) | 2017-11-27 | cif/ Adding structures of 1548217 via cif-deposit CGI script. |
1548217.cif |
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