Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7215508
Preview
| Coordinates | 7215508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H34 Cu N2 O12 |
|---|---|
| Calculated formula | C40 H34 Cu N2 O12 |
| SMILES | [Cu]1([n]2c(c3[n]1cccc3)cccc2)(OC(=O)c1c(OCc2ccc(C(=O)O)cc2)cccc1)(OC(=O)c1ccc(cc1)COc1c(C(=O)O)cccc1)[OH2].O |
| Title of publication | Synthesis of a series of coordination polymers based on mixed ligands to tune the structural dimension |
| Authors of publication | Cao, Xinyu; Mu, Bao; Huang, Rudan |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 5093 |
| a | 7.5718 ± 0.0007 Å |
| b | 14.0421 ± 0.0019 Å |
| c | 17.244 ± 0.002 Å |
| α | 74.534 ± 0.001° |
| β | 83.804 ± 0.001° |
| γ | 88.439 ± 0.002° |
| Cell volume | 1756.7 ± 0.4 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 | 0.1358 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215508.cif |
| 180486 | 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 7/21/55. |
7215508.cif |
| 116188 | 2014-06-07 | cif/ Updating files of 7215502, 7215503, 7215504, 7215505, 7215506, 7215507, 7215508, 7215509 Original log message: Adding full bibliography for 7215502--7215509.cif. |
7215508.cif |
| 112499 | 2014-05-02 | cif/ Adding structures of 7215502, 7215503, 7215504, 7215505, 7215506, 7215507, 7215508, 7215509 via cif-deposit CGI script. |
7215508.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.