Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7049023
Preview
| Coordinates | 7049023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H64 Ce0.5 Cu4 Ge N6 Na0.5 O72 W12 |
|---|---|
| Calculated formula | C36 H24 Ce0.5 Cu4 Ge N6 Na0.5 O72 W12 |
| SMILES | [n]12ccccc1C(=O)O[Cu]12[O]=C(c2[n]1cccc2)O[Cu]1(OC(=O)c2[n]1cccc2)[OH2].O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12%13(=O)(O2)[O]2%10[W]%10(O[W]%14%15%16(=O)O[W]%17%18(O[W]%19%20(O[W](=O)(O1)(O8)([O]%17%19[Ge]2([O]1%15[W](=O)(O[W]1(=O)(O%14)(O7)O%20)(O%12)(O3)O%16)[O]469)O%18)(O5)=O)(=O)O%10)(O%11)(O%13)=O)=O.[Ce](OC1=[O][Cu]2([n]3ccccc3C(O2)=[O][Cu]2([n]3ccccc3C(=O)O2)[OH2])[n]2ccccc12)([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O |
| Title of publication | Organic-inorganic hybrids assembled from plenary Keggin-type germanotungstate units and 3d-4f heterometal clusters. |
| Authors of publication | Li, Huijie; Gong, Peijun; Jiang, Jun; Li, Yamin; Pang, Jingjing; Chen, Lijuan; Zhao, Junwei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 11 |
| Pages of publication | 3730 - 3742 |
| a | 18.7986 ± 0.0007 Å |
| b | 14.7548 ± 0.0004 Å |
| c | 31.1802 ± 0.0012 Å |
| α | 90° |
| β | 95.018 ± 0.001° |
| γ | 90° |
| Cell volume | 8615.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1356 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224546 (current) | 2019-11-08 | cif/ Updating files of 7049020, 7049021, 7049022, 7049023 Original log message: Adding full bibliography for 7049020--7049023.cif. |
7049023.cif |
| 213649 | 2019-02-15 | cif/ Adding structures of 7049020, 7049021, 7049022, 7049023 via cif-deposit CGI script. |
7049023.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.