Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1515395
Preview
| Coordinates | 1515395.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 N2 O9 Zn |
|---|---|
| Calculated formula | C22 H28 N2 O9 Zn |
| SMILES | [Zn]123(OC(=C(C=[N]2c2ccccc2[N]3=CC(=C(O1)OCC)C(=O)OCC)C(=O)OCC)OCC)[OH2] |
| Title of publication | New air-stable zinc complexes formed from cyanoacrylate- and methylenemalonate-based [N2O2]-ligands and their role as catalysts in epoxide‒CO2 coupling |
| Authors of publication | Fuchs, M. A.; Altesleben, C.; Staudt, S. C.; Walter, O.; Zevaco, T. A.; Dinjus, E. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 6 |
| Pages of publication | 1658 |
| a | 15.8662 ± 0.0012 Å |
| b | 13.3414 ± 0.0011 Å |
| c | 23.2173 ± 0.0018 Å |
| α | 90° |
| β | 96.374 ± 0.001° |
| γ | 90° |
| Cell volume | 4884.2 ± 0.7 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214153 (current) | 2019-03-18 | cif/1 Fixing Z values and formulae |
1515395.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515395.cif |
| 116143 | 2014-06-07 | cif/ Updating files of 1515395, 1515396, 1515397, 1515398, 1515399 Original log message: Adding full bibliography for 1515395--1515399.cif. |
1515395.cif |
| 111649 | 2014-04-25 | cif/ Adding structures of 1515395, 1515396, 1515397, 1515398, 1515399 via cif-deposit CGI script. |
1515395.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.