Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566178
Preview
| Coordinates | 1566178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H104 Ce4 Fe4 N16 O29 |
|---|---|
| Calculated formula | C49 H103 Ce4 Fe4 N16 O29 |
| Title of publication | Octanuclear heterometallic FeIII-CeIV pivalate clusters: From a close {Fe4Ce4(μ4-O)4} cage to an open {Fe4Ce4(μ4-O)2(μ3-O)2} core |
| Authors of publication | Baca, Svetlana G.; Amombo Noa, Francoise M.; Öhrström, Lars |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2021 |
| Journal volume | 515 |
| Pages of publication | 120038 |
| a | 26.2664 ± 0.0012 Å |
| b | 12.1527 ± 0.0006 Å |
| c | 14.214 ± 0.0007 Å |
| α | 90° |
| β | 114.85 ± 0.001° |
| γ | 90° |
| Cell volume | 4117.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272291 (current) | 2022-01-27 | cif/ Adding structures of 1566178 via cif-deposit CGI script. |
1566178.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.