Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7210342
Preview
| Coordinates | 7210342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H36 N4 O12 Zn2 |
|---|---|
| Calculated formula | C44 H36 N4 O12 Zn2 |
| SMILES | c1[n]2c3c(cc1)ccc1ccc[n](c31)[Zn]132(OC(=O)c2ccc(O[C@H](C4=[O][Zn]5([n]6cccc7ccc8ccc[n]5c8c67)(OC(=O)c5ccc(O[C@@H](C(=[O]1)O3)C)cc5)(O4)[OH2])C)cc2)[OH2] |
| Title of publication | A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties |
| Authors of publication | Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 34 |
| Pages of publication | 6769 |
| a | 8.9669 ± 0.0013 Å |
| b | 9.9577 ± 0.0015 Å |
| c | 12.1033 ± 0.0018 Å |
| α | 107.249 ± 0.002° |
| β | 92.764 ± 0.002° |
| γ | 106.282 ± 0.002° |
| Cell volume | 980.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0733 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
7210342.cif |
| 180434 | 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 7/21/03. |
7210342.cif |
| 87603 | 2013-08-27 | cif/ Adding structures of 7210342, 7210343, 7210344, 7210345, 7210346, 7210347 via cif-deposit CGI script. |
7210342.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.