Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1565666
Preview
| Coordinates | 1565666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H104 Li O Pb Si4 Sm |
|---|---|
| Calculated formula | C65 H104 Li O Pb Si4 Sm |
| SMILES | [Pb]1[C]23([Sm]456789%10%11%12([C]%131([Si](C)(C)C(C)(C)C)[C]14([C]25(c2ccccc2)[Li]3%131[O]1CCCC1)c1ccccc1)[C]1([Si](C(C)C)(C(C)C)C(C)C)=[CH]6[CH]7=[C]8([CH]9=[CH]%10[CH]%11=[CH]%121)[Si](C(C)C)(C(C)C)C(C)C)[Si](C)(C)C(C)(C)C.Cc1ccccc1 |
| Title of publication | Introduction of plumbole to f-element chemistry |
| Authors of publication | Münzfeld, Luca; Sun, Xiaofei; Schlittenhardt, Sören; Schoo, Christoph; Hauser, Adrian; Gillhuber, Sebastian; Weigend, Florian; Ruben, Mario; Roesky, Peter W. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 945 - 954 |
| a | 13.5678 ± 0.0008 Å |
| b | 13.7727 ± 0.0005 Å |
| c | 35.796 ± 0.002 Å |
| α | 90° |
| β | 93.725 ± 0.005° |
| γ | 90° |
| Cell volume | 6674.9 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272578 (current) | 2022-02-04 | cif/ Updating files of 1565662, 1565663, 1565664, 1565665, 1565666, 1565667, 1565668, 1565669, 1565670 Original log message: Adding full bibliography for 1565662--1565670.cif. |
1565666.cif |
| 271342 | 2021-12-12 | cif/ Adding structures of 1565662, 1565663, 1565664, 1565665, 1565666, 1565667, 1565668, 1565669, 1565670 via cif-deposit CGI script. |
1565666.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.