Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239979
Preview
| Coordinates | 7239979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H112 N6 O44 S12 Zn3 |
|---|---|
| Calculated formula | C108 H112 N6 O44 S12 Zn3 |
| Title of publication | Multiple hydrogen bonded three-dimensional supramolecular architecture composed of unique three-fold interlocked anionic Zn(II)-coordination architecture |
| Authors of publication | Ke, Hua; Chen, Qi-Hua; Liao, Jian-Zhen; Lu, Can-Zhong |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 12.7067 ± 0.0006 Å |
| b | 13.0794 ± 0.0004 Å |
| c | 21.0583 ± 0.0008 Å |
| α | 88.535 ± 0.003° |
| β | 73.381 ± 0.004° |
| γ | 61.238 ± 0.004° |
| Cell volume | 2913.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1606 |
| Weighted residual factors for all reflections included in the refinement | 0.1706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248476 (current) | 2020-02-27 | cif/ Adding structures of 7239979, 7239980, 7239981, 7239982 via cif-deposit CGI script. |
7239979.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.