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Information card for entry 7704957
Preview
| Coordinates | 7704957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C89 H88 N4 O13 Tb2 |
|---|---|
| Calculated formula | C89 H88 N4 O13 Tb2 |
| SMILES | [Tb]12345([N]6CC[O]1c1c7Cc8cccc(Cc9cccc(Cc%10cccc(Cc1ccc7)c%10O4)c9[O]3CCN=Cc1cc(cc3C=[N]4[Tb]79%10([O](c%11c%12Cc%13cccc(Cc%14cccc(Cc%15cccc(Cc%11ccc%12)c%15O%10)c%14[O]9CCN=Cc9cc(cc(C=6)c9O5)C(C)(C)C)c%13O7)CC4)(Oc13)[OH]C)C(C)(C)C)c8O2)[OH2].O |
| Title of publication | Mixed-ligand lanthanide complexes supported by ditopic bis(imino-methyl)-phenol/calix[4]arene macrocycles: synthesis, structures, and luminescence properties of [Ln<sub>2</sub>(L<sup>2</sup>)(MeOH)<sub>2</sub>] (Ln = La, Eu, Tb, Yb). |
| Authors of publication | Ullmann, Steve; Hahn, Peter; Mini, Parvathy; Tuck, Kellie L.; Kahnt, Axel; Abel, Bernd; Gutierrez Suburu, Matias E.; Strassert, Cristian A.; Kersting, Berthold |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 32 |
| Pages of publication | 11179 - 11191 |
| a | 14.5534 ± 0.0003 Å |
| b | 33.1629 ± 0.0006 Å |
| c | 20.453 ± 0.0004 Å |
| α | 90° |
| β | 108.277 ± 0.002° |
| γ | 90° |
| Cell volume | 9373.3 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256056 (current) | 2020-09-06 | cif/ Updating files of 7704956, 7704957 Original log message: Adding full bibliography for 7704956--7704957.cif. |
7704957.cif |
| 254638 | 2020-07-29 | cif/ Adding structures of 7704956, 7704957 via cif-deposit CGI script. |
7704957.cif |
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