Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4347912
Preview
| Coordinates | 4347912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H88 Cl8 Fe8 N4 O30 |
|---|---|
| Calculated formula | C112 H88 Cl8 Fe8 N4 O30 |
| Title of publication | Magnetostructural Correlation for High-Nuclearity Iron(III)/Oxo Complexes and Application to Fe5, Fe6, and Fe8 Clusters. |
| Authors of publication | Mitchell, Kylie J.; Abboud, Khalil A.; Christou, George |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 13 |
| Pages of publication | 6597 - 6608 |
| a | 18.2729 ± 0.0011 Å |
| b | 16.5506 ± 0.001 Å |
| c | 19.4689 ± 0.0012 Å |
| α | 90° |
| β | 110.037 ± 0.001° |
| γ | 90° |
| Cell volume | 5531.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0779 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| 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 |
|---|---|---|---|
| 232583 (current) | 2019-11-23 | cif/ Adding structures of 4347912, 4347913 via cif-deposit CGI script. |
4347912.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.