Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7042203
Preview
| Coordinates | 7042203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H39 Cl2 Fe N13 O16 |
|---|---|
| Calculated formula | C34 H39 Cl2 Fe N13 O16 |
| Title of publication | Evidence of crystal packing effects in stabilizing high or low spin states of iron(ii) complexes with functionalized 2,6-bis(pyrazol-1-yl)pyridine ligands. |
| Authors of publication | Bridonneau, Nathalie; Rigamonti, Luca; Poneti, Giordano; Pinkowicz, Dawid; Forni, Alessandra; Cornia, Andrea |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 12 |
| Pages of publication | 4075 - 4085 |
| a | 14.0675 ± 0.001 Å |
| b | 16.2407 ± 0.0011 Å |
| c | 18.2548 ± 0.0011 Å |
| α | 90° |
| β | 101.045 ± 0.002° |
| γ | 90° |
| Cell volume | 4093.4 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.1295 |
| Residual factor for significantly intense reflections | 0.0928 |
| Weighted residual factors for significantly intense reflections | 0.2568 |
| Weighted residual factors for all reflections included in the refinement | 0.2869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7042203.cif |
| 195133 | 2017-04-05 | cif/ Updating files of 7042202, 7042203 Original log message: Adding full bibliography for 7042202--7042203.cif. |
7042203.cif |
| 192473 | 2017-02-23 | cif/ Adding structures of 7042202, 7042203 via cif-deposit CGI script. |
7042203.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.