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Information card for entry 1545570
Preview
| Coordinates | 1545570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H46 N5 O9 Yb |
|---|---|
| Calculated formula | C26 H46 N5 O9 Yb |
| SMILES | [Yb]1234567OC(=O)C[N]84CC[N]3(CC[N]6(CC[N]5(CC8)CC(=O)O1)CC(=O)O2)Cc1[n]7cc(cc1)C(C)(C)C.OC.OC.O |
| Title of publication | PARASHIFT Probes: Solution NMR and X-ray Structural Studies of Macrocyclic Ytterbium and Yttrium Complexes |
| Authors of publication | Mason, Kevin; Rogers, Nicola J.; Suturina, Elizaveta A.; Kuprov, Ilya; Aguilar, Juan A.; Batsanov, Andrei S.; Yufit, Dmitry S.; Parker, David |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 4028 - 4038 |
| a | 13.4135 ± 0.0007 Å |
| b | 16.7937 ± 0.0009 Å |
| c | 14.9527 ± 0.0008 Å |
| α | 90° |
| β | 119.464 ± 0.002° |
| γ | 90° |
| Cell volume | 2932.6 ± 0.3 Å3 |
| Cell temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| 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. |
1545570.cif |
| 194269 | 2017-03-16 | cif/ Adding structures of 1545570 via cif-deposit CGI script. |
1545570.cif |
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Users of the data should acknowledge the original authors of the
structural data.