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Information card for entry 7226640
Preview
| Coordinates | 7226640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C74 H84 Co2 Eu4 N10 O34 |
|---|---|
| Calculated formula | C74 H84 Co2 Eu4 N10 O34 |
| SMILES | c12ccccc1C=[N]1c3c(cccc3)C[O]34[Co]5671[N]1=Cc8c([O]6[Eu]69%10%113([OH]3[Eu]%12%13%14%15(ON(=[O]%12)=O)([O]=C(O9)C)([O]%10C(C)=[O]%11)[OH]9[Eu]%10%11%12%16([O]%17%14Cc%14c([N]%18=Cc%19c(cccc%19)[O]%13[Co]%13%19%17%18[N](=Cc%17c([O]%10%13)cccc%17)c%10c(cccc%10)C[O]%15%11%19)cccc%14)([O]=C(C)O[Eu]%10439([O]25)([O]76Cc2c1cccc2)(ON(=[O]%10)=O)[O]%12C(C)=[O]%16)(ON(=O)=O)[O]=CN(C)C)(ON(=O)=O)[O]=CN(C)C)cccc8.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 | 12.4424 ± 0.0019 Å |
| b | 19.73 ± 0.003 Å |
| c | 19.024 ± 0.003 Å |
| α | 90° |
| β | 104.094 ± 0.002° |
| γ | 90° |
| Cell volume | 4529.6 ± 1.2 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.1059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
7226640.cif |
| 188105 | 2016-11-08 | cif/ Updating files of 7226639, 7226640, 7226641, 7226642 Original log message: Adding full bibliography for 7226639--7226642.cif. |
7226640.cif |
| 186774 | 2016-09-25 | cif/ Adding structures of 7226639, 7226640, 7226641, 7226642 via cif-deposit CGI script. |
7226640.cif |
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Users of the data should acknowledge the original authors of the
structural data.