Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568520
Preview
| Coordinates | 1568520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H156 K N4 O4 P3 Sm2 |
|---|---|
| Calculated formula | C116 H156 K N4 O4 P3 Sm2 |
| Title of publication | Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction |
| Authors of publication | Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W. |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2149 - 2158 |
| a | 31.686 ± 0.0019 Å |
| b | 23.6758 ± 0.0008 Å |
| c | 16.4497 ± 0.0009 Å |
| α | 90° |
| β | 119.805 ± 0.004° |
| γ | 90° |
| Cell volume | 10708.1 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.124 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281099 (current) | 2023-02-23 | cif/ Adding structures of 1568514, 1568515, 1568516, 1568517, 1568518, 1568519, 1568520, 1568521, 1568522, 1568523 via cif-deposit CGI script. |
1568520.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.