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Information card for entry 7226641
Preview
| Coordinates | 7226641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C74 H84 Co2 Gd4 N10 O34 |
|---|---|
| Calculated formula | C74 H84 Co2 Gd4 N10 O34 |
| SMILES | c12ccccc1[O]1[Co]3456[N](=C2)c2c(cccc2)C[O]24[Gd]47891([OH]1[Gd]%10%11%12%13([O]=N(=O)O%10)([O]=C(O7)C)([O]8C(C)=[O]9)[OH]7[Gd]89%10%14([O]%15c%16c(cccc%16)C=[N]%16c%17c(cccc%17)C[O]%118[Co]8%11%15%16[N](=Cc%15c([O]%128)cccc%15)c8c(cccc8)C[O]%139%11)([O]=C(C)O[Gd]89217([O]5c1c(cccc1)C=[N]3c1c(cccc1)C[O]648)(ON(=[O]9)=O)[O]%10C(C)=[O]%14)(ON(=O)=O)[O]=CN(C)C)(ON(=O)=O)[O]=CN(C)C.C(O)C.C(C)O |
| Title of publication | Chair-like [LnIII4CoIII2] (Ln = Dy, Eu, Gd, Tb) clusters including a [DyIII4CoIII2] single molecule magnet |
| Authors of publication | Zhang, Haifeng; Liu, Rui; Zhang, Jin; Li, Yahong; Liu, Wei |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 42 |
| Pages of publication | 8246 |
| a | 12.443 ± 0.003 Å |
| b | 19.742 ± 0.004 Å |
| c | 19.009 ± 0.004 Å |
| α | 90° |
| β | 104.077 ± 0.003° |
| γ | 90° |
| Cell volume | 4529.3 ± 1.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226641.cif |
| 188105 | 2016-11-08 | cif/ Updating files of 7226639, 7226640, 7226641, 7226642 Original log message: Adding full bibliography for 7226639--7226642.cif. |
7226641.cif |
| 186774 | 2016-09-25 | cif/ Adding structures of 7226639, 7226640, 7226641, 7226642 via cif-deposit CGI script. |
7226641.cif |
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Users of the data should acknowledge the original authors of the
structural data.