Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7701054
Preview
| Coordinates | 7701054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H37 Fe N2 O4 |
|---|---|
| Calculated formula | C28 H37 Fe N2 O4 |
| Title of publication | The synthesis, characterisation and application of iron(iii)-acetate complexes for cyclic carbonate formation and the polymerisation of lactide. |
| Authors of publication | Driscoll, Oliver J.; Hafford-Tear, Claudia H; McKeown, Paul; Stewart, Jack A.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Jones, Matthew D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 40 |
| Pages of publication | 15049 - 15058 |
| a | 17.504 ± 0.0005 Å |
| b | 8.2528 ± 0.0002 Å |
| c | 17.7346 ± 0.0005 Å |
| α | 90° |
| β | 96.933 ± 0.003° |
| γ | 90° |
| Cell volume | 2543.15 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0451 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7701054.cif |
| 224242 | 2019-11-08 | cif/ Updating files of 7701052, 7701053, 7701054, 7701055, 7701056, 7701057, 7701058, 7701059 Original log message: Adding full bibliography for 7701052--7701059.cif. |
7701054.cif |
| 218056 | 2019-09-07 | cif/ Adding structures of 7701052, 7701053, 7701054, 7701055, 7701056, 7701057, 7701058, 7701059 via cif-deposit CGI script. |
7701054.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.