Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7702281
Preview
| Coordinates | 7702281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C80 H124 Mg4 N4 O14 |
|---|---|
| Calculated formula | C80 H124 Mg4 N4 O14 |
| Title of publication | Syntheses, structures and catalytic activity of tetranuclear Mg complexes in the ROP of cyclic esters under industrially relevant conditions. |
| Authors of publication | Ghosh, Swarup; Wölper, Christoph; Tjaberings, Alexander; Gröschel, André H; Schulz, Stephan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 2 |
| Pages of publication | 375 - 387 |
| a | 11.1387 ± 0.0007 Å |
| b | 20.399 ± 0.0013 Å |
| c | 17.5736 ± 0.0011 Å |
| α | 90° |
| β | 91.793 ± 0.004° |
| γ | 90° |
| Cell volume | 3991.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1107 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1314 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7702281.cif |
| 247727 | 2020-02-04 | cif/ Updating files of 7702280, 7702281, 7702282, 7702283 Original log message: Adding full bibliography for 7702280--7702283.cif. |
7702281.cif |
| 243806 | 2019-11-28 | cif/ Adding structures of 7702280, 7702281, 7702282, 7702283 via cif-deposit CGI script. |
7702281.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.