Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1557515
Preview
| Coordinates | 1557515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H110 Li4 N6 O18 |
|---|---|
| Calculated formula | C102 H110 Li4 N6 O18 |
| Title of publication | Nanoscale rotational dynamics of four independent rotators confined in crowded crystalline layers. |
| Authors of publication | Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Lemouchi, Cyprien; Allain, Magali; Zorina, Leokadiya; Batail, Patrick |
| Journal of publication | Nanoscale |
| Year of publication | 2020 |
| Journal volume | 12 |
| Journal issue | 15 |
| Pages of publication | 8294 - 8302 |
| a | 11.098 ± 0.002 Å |
| b | 11.0981 ± 0.0009 Å |
| c | 42.151 ± 0.008 Å |
| α | 91.082 ± 0.009° |
| β | 97.39 ± 0.01° |
| γ | 115.846 ± 0.008° |
| Cell volume | 4617.1 ± 1.3 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1252 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1832 |
| Weighted residual factors for all reflections included in the refinement | 0.2109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251679 (current) | 2020-05-05 | cif/ Updating files of 1557515 Original log message: Adding full bibliography for 1557515.cif. |
1557515.cif |
| 249110 | 2020-03-06 | cif/ Adding structures of 1557515 via cif-deposit CGI script. |
1557515.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.