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Information card for entry 1540410
Preview
| Coordinates | 1540410.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C142 H120 Gd7 N11 O24 |
|---|---|
| Calculated formula | C142 H120 Gd7 N11 O24 |
| SMILES | [Gd]123456[O]78[Gd]9%10%11%12%13(Oc%14c(cccc%14)C=[N]%12c%12c([O]4%10)cccc%12)Oc4c(C=[N]%13c%10c([O]9[Gd]9%127([O]1[Gd]17%13%14%15([O]%16[Gd]%17%18%19%20%21[O]%22%23[Gd]%24%25([O]1c1c([N]%15=Cc%15c%16cccc%15)cccc1)([O]7%17)([O]%18([Gd]17%15%16%22([O]%24c%17c([N]%16=Cc%16c(O7)cccc%16)cccc%17)[O]%19c7c([N]%15=Cc%15c(O1)cccc%15)cccc7)c1c([N]%21=Cc7c(O%20)cccc7)cccc1)([O]=C(C)C)Oc1c(C=[N]%25c7c%23cccc7)cccc1)[O]2c1c(C=[N]%14c2c([O]9%13)cccc2)cccc1)(Oc1c(C=[N]%12c2ccccc82)cccc1)([O]=C(C)C)[O]5%11c1ccccc1[N]6=Cc1c(O3)cccc1)cccc%10)cccc4.[NH+](CC)(CC)CC |
| Title of publication | New structural topologies in 4f-metal cluster chemistry from vertex-sharing butterfly units: {LnIII7} complexes exhibiting slow magnetization relaxation and ligand-centred emissions |
| Authors of publication | Mazarakioti, Eleni C.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C. |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 112 |
| Pages of publication | 92534 - 92538 |
| a | 15.5132 ± 0.0016 Å |
| b | 20.762 ± 0.002 Å |
| c | 24.831 ± 0.003 Å |
| α | 106.288 ± 0.004° |
| β | 103.085 ± 0.005° |
| γ | 105.827 ± 0.004° |
| Cell volume | 6977.1 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0864 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1540410.cif |
| 169705 | 2015-10-23 | cif/ Adding structures of 1540410 via cif-deposit CGI script. |
1540410.cif |
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Users of the data should acknowledge the original authors of the
structural data.