Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1571351
Preview
| Coordinates | 1571351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H73.5 N4.5 O4 Si4 Tb |
|---|---|
| Calculated formula | C84 H69 N3 O4 Si4 Tb |
| SMILES | [Tb]12(O[Si](c3c(c4cc(cc(c4)c4ccccc4[Si](O2)(c2ccccc2)c2ccccc2)c2ccccc2[Si](O1)(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.N#CC |
| Title of publication | Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state. |
| Authors of publication | Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 18 |
| Pages of publication | 6874 - 6883 |
| a | 17.6194 ± 0.0003 Å |
| b | 13.8469 ± 0.0003 Å |
| c | 31.8914 ± 0.0005 Å |
| α | 90° |
| β | 91.3763 ± 0.0014° |
| γ | 90° |
| Cell volume | 7778.4 ± 0.2 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292913 (current) | 2024-07-05 | cif/ Updating files of 1571342, 1571343, 1571344, 1571345, 1571346, 1571347, 1571348, 1571349, 1571350, 1571351, 1571352, 1571353, 1571354 Original log message: Adding full bibliography for 1571342--1571354.cif. |
1571351.cif |
| 290738 | 2024-04-03 | cif/ Adding structures of 1571342, 1571343, 1571344, 1571345, 1571346, 1571347, 1571348, 1571349, 1571350, 1571351, 1571352, 1571353, 1571354 via cif-deposit CGI script. |
1571351.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.