Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518903
Preview
| Coordinates | 1518903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H46 O2 P2 Zn2 |
|---|---|
| Calculated formula | C44 H46 O2 P2 Zn2 |
| SMILES | [Zn]12([P](c3c([O]2[Zn]2([P](c4c([O]12)c(cc(c4)C)C)(c1ccccc1)c1ccccc1)CC)c(cc(c3)C)C)(c1ccccc1)c1ccccc1)CC |
| Title of publication | P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate. |
| Authors of publication | Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 27 |
| Pages of publication | 12376 - 12387 |
| a | 9.528 ± 0.009 Å |
| b | 9.803 ± 0.009 Å |
| c | 11.432 ± 0.011 Å |
| α | 73.14 ± 0.02° |
| β | 89.54 ± 0.02° |
| γ | 74.29 ± 0.02° |
| Cell volume | 980.8 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1903 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.1796 |
| Weighted residual factors for all reflections included in the refinement | 0.2212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1518903.cif |
| 143661 | 2015-07-11 | cif/ Updating files of 1518901, 1518902, 1518903, 1518904 Original log message: Adding full bibliography for 1518901--1518904.cif. |
1518903.cif |
| 134407 | 2015-03-26 | cif/ Adding structures of 1518901, 1518902, 1518903, 1518904 via cif-deposit CGI script. |
1518903.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.