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Information card for entry 7041031
Preview
| Coordinates | 7041031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C87 H66 Dy2 N6 O9 |
|---|---|
| Calculated formula | C87 H66 Dy2 N6 O9 |
| SMILES | [Dy]123456([O]7[Dy]89%10(Oc%11c(c%12ccccc%12cc%11)C=[N]8c8ccccc8[N]9=Cc8c(O%10)ccc9ccccc89)([O]1c1c(c8ccccc8cc1)C=[N]2c1ccccc1[N]3=Cc1c7ccc2ccccc12)[OH]C)Oc1c(c2ccccc2cc1)C=[N]5c1ccccc1[N]6=Cc1c(O4)ccc2ccccc12.OC.OC |
| Title of publication | Building 1D lanthanide chains and non-symmetrical [Ln2] "triple-decker" clusters using salen-type ligands: magnetic cooling and relaxation phenomena. |
| Authors of publication | Canaj, Angelos B.; Siczek, Milosz; Otręba, Marta; Lis, Tadeusz; Lorusso, Giulia; Evangelisti, Marco; Milios, Constantinos J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 46 |
| Pages of publication | 18591 - 18602 |
| a | 10.328 ± 0.004 Å |
| b | 17.582 ± 0.005 Å |
| c | 18.751 ± 0.006 Å |
| α | 82.66 ± 0.03° |
| β | 85.97 ± 0.03° |
| γ | 82.48 ± 0.03° |
| Cell volume | 3343 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0765 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0706 |
| Weighted residual factors for all reflections included in the refinement | 0.0746 |
| 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 |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7041031.cif |
| 190108 | 2017-01-09 | cif/ Updating files of 7041030, 7041031, 7041032, 7041033, 7041034, 7041035 Original log message: Adding full bibliography for 7041030--7041035.cif. |
7041031.cif |
| 187581 | 2016-10-26 | cif/ Adding structures of 7041030, 7041031, 7041032, 7041033, 7041034, 7041035 via cif-deposit CGI script. |
7041031.cif |
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