Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7034824
Preview
| Coordinates | 7034824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H26 Ce Cu N5 O14 |
|---|---|
| Calculated formula | C22 H26 Ce Cu N5 O14 |
| SMILES | [Cu]123[O]4[Ce]56789(ON(=[O]5)=O)([O]=N(=O)O8)([O]3c3c([O]6C)cccc3C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1c4(c([O]7C)ccc1))([OH2])ON(=O)=[O]9 |
| Title of publication | Temperature-controlled polymorphism of chiral Cu(II)-Ln(III) dinuclear complexes exhibiting slow magnetic relaxation. |
| Authors of publication | Wen, He-Rui; Bao, Jun; Liu, Sui-Jun; Liu, Cai-Ming; Zhang, Cai-Wei; Tang, Yun-Zhi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 24 |
| Pages of publication | 11191 - 11201 |
| a | 7.8115 ± 0.0007 Å |
| b | 12.5241 ± 0.0011 Å |
| c | 14.1328 ± 0.0012 Å |
| α | 93.159 ± 0.002° |
| β | 91.899 ± 0.002° |
| γ | 99.247 ± 0.002° |
| Cell volume | 1361.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7034824.cif |
| 143584 | 2015-07-11 | cif/ Updating files of 7034824, 7034825, 7034826, 7034827, 7034828, 7034829, 7034830, 7034831, 7034832, 7034833, 7034834, 7034835, 7034836 Original log message: Adding full bibliography for 7034824--7034836.cif. |
7034824.cif |
| 135863 | 2015-05-09 | cif/ Adding structures of 7034824, 7034825, 7034826, 7034827, 7034828, 7034829, 7034830, 7034831, 7034832, 7034833, 7034834, 7034835, 7034836 via cif-deposit CGI script. |
7034824.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.