Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225282
Preview
| Coordinates | 7225282.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cu2 H32 O56 Si W12 |
|---|---|
| Calculated formula | Cu2 O56 Si W12 |
| SMILES | [W]1234([O]56[W]78(O4)(O[W]45(O2)(O[W]259([O]%10%11[W]%12(O7)(O[W]7%13([O]%14%15[W]%16(O3)(O7)(O[W]37([O]%17([W](O[W]%18%17(O[W]%10(O%12)(O5)(O[W]%14(O%13)(O%18)(O%16)=O)O[Cu]([OH2])([OH2])([OH2])([OH2])[OH2])(O3)=O)(O9)(O4)(O7)=O)[Si]6%11%15)(O1)=O)=O)(O8)=O)(O2)=O)=O)=O)=O)O[Cu]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O |
| Title of publication | Disorder and polymorphism in Cu(ii)-polyoxometalate complexes: [Cu1.5(H2O)7.5PW12O40]·4.75H2O, cis- & trans-[Cu2(H2O)10SiW12O40]·6H2O |
| Authors of publication | Bajpe, Sneha R.; Henke, Sebastian; Lee, Jung-Hoon; Bristowe, Paul D.; Cheetham, Anthony K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 28 |
| Pages of publication | 5327 |
| a | 12.8897 ± 0.0004 Å |
| b | 14.007 ± 0.0005 Å |
| c | 15.3382 ± 0.0004 Å |
| α | 63.169 ± 0.003° |
| β | 71.079 ± 0.003° |
| γ | 63.827 ± 0.003° |
| Cell volume | 2190.49 ± 0.14 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 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 | 0.031 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185267 (current) | 2016-08-07 | cif/ Updating files of 7225280, 7225281, 7225282, 7225283 Original log message: Adding full bibliography for 7225280--7225283.cif. |
7225282.cif |
| 183035 | 2016-05-20 | cif/ Adding structures of 7225280, 7225281, 7225282, 7225283 via cif-deposit CGI script. |
7225282.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.