Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7219325
Preview
| Coordinates | 7219325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Cu2 N2 O10 |
|---|---|
| Calculated formula | C12 H12 Cu2 N2 O10 |
| SMILES | C1(=O)c2[n]3[Cu]([OH2])(O1)([OH2])Oc1ccc4C(=O)O[Cu]5([n]4c1c3c(cc2)O5)([OH2])[OH2] |
| Title of publication | In situ generation of functionality in a reactive binicotinic-acid-based ligand for the design of multi-functional copper(ii) complexes: syntheses, structures and properties |
| Authors of publication | Deng, Dongsheng; Guo, Hui; Kang, Guohui; Ma, Lufang; He, Xu; Ji, Baoming |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 1871 |
| a | 6.2937 ± 0.0016 Å |
| b | 6.8393 ± 0.0017 Å |
| c | 9.545 ± 0.004 Å |
| α | 99.689 ± 0.004° |
| β | 90.764 ± 0.004° |
| γ | 116.946 ± 0.003° |
| Cell volume | 359.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180524 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93. |
7219325.cif |
| 133233 | 2015-03-06 | cif/ Updating files of 7219323, 7219324, 7219325, 7219326, 7219327 Original log message: Adding full bibliography for 7219323--7219327.cif. |
7219325.cif |
| 129704 | 2015-01-17 | cif/ Adding structures of 7219323, 7219324, 7219325, 7219326, 7219327 via cif-deposit CGI script. |
7219325.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.