Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225652
Preview
| Coordinates | 7225652.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl4 Cu N4 O10 |
|---|---|
| Calculated formula | C18 H14 Cl4 Cu N4 O10 |
| SMILES | C12C(=C(C(=O)C(=O)C=1Cl)Cl)O[Cu]1(O2)(OC2C(=C(C(=O)C(=O)C=2Cl)Cl)O1)([OH2])[OH2].c1[nH]cc[nH+]1.c1[nH]cc[nH+]1 |
| Title of publication | From mononuclear to linear one-dimensional coordination species of copper(II)-chloranilate: design and characterization |
| Authors of publication | Juric, Marijana; Molcanov, Kresimir; Zilic, Dijana; Kojic-Prodic, Biserka |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.2635 ± 0.001 Å |
| b | 8.7473 ± 0.0008 Å |
| c | 9.1791 ± 0.0007 Å |
| α | 70.332 ± 0.008° |
| β | 71.57 ± 0.009° |
| γ | 67.319 ± 0.01° |
| Cell volume | 563.05 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183878 (current) | 2016-06-23 | cif/ Adding structures of 7225647, 7225648, 7225649, 7225650, 7225651, 7225652 via cif-deposit CGI script. |
7225652.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.