Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7702607
Preview
| Coordinates | 7702607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H11 Cu2 N2 Na O9 |
|---|---|
| Calculated formula | C16 H11 Cu2 N2 Na O9 |
| SMILES | C1=N(=O)[Cu]23[N](=Cc4c5c(C(=O)O[Cu]6([O]2c2c1cccc2C(=O)O6)[O]35)ccc4)O.[Na+].O |
| Title of publication | Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex |
| Authors of publication | Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 20 |
| Pages of publication | 3119 |
| a | 9.347 ± 0.003 Å |
| b | 11.033 ± 0.002 Å |
| c | 8.607 ± 0.002 Å |
| α | 101.65 ± 0.02° |
| β | 92.07 ± 0.02° |
| γ | 75.28 ± 0.02° |
| Cell volume | 840.7 ± 0.4 Å3 |
| Cell temperature | 296.2 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 significantly intense reflections | 0.0339 |
| Weighted residual factors for all reflections included in the refinement | 0.0485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.917 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243922 (current) | 2019-11-28 | cif/ Adding structures of 7702607, 7702608, 7702609 via cif-deposit CGI script. |
7702607.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.