Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1548219
Preview
| Coordinates | 1548219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 Cd N3 O5 |
|---|---|
| Calculated formula | C27 H23 Cd N3 O5 |
| 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 | 9.7055 ± 0.00015 Å |
| b | 17.8498 ± 0.0003 Å |
| c | 14.7845 ± 0.0003 Å |
| α | 90° |
| β | 94.7485 ± 0.0015° |
| γ | 90° |
| Cell volume | 2552.49 ± 0.08 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 | 0.041 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203604 (current) | 2017-11-27 | cif/ Adding structures of 1548219 via cif-deposit CGI script. |
1548219.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.