Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085095
Preview
| Coordinates | 4085095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H57 Al N4 O2 |
|---|---|
| Calculated formula | C43 H57 Al N4 O2 |
| Title of publication | Aluminum Complexes Containing the C‒O‒Al‒O‒C Framework as Efficient Initiators for Ring-Opening Polymerization of ε-Caprolactone |
| Authors of publication | Hao, Pengfei; Yang, Zhi; Li, Wenling; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Li, Jiarong |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 105 |
| a | 10.395 ± 0.002 Å |
| b | 19.416 ± 0.004 Å |
| c | 20.274 ± 0.004 Å |
| α | 100.755 ± 0.004° |
| β | 93.402 ± 0.005° |
| γ | 94.406 ± 0.004° |
| Cell volume | 3996.8 ± 1.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.094 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1606 |
| Weighted residual factors for all reflections included in the refinement | 0.178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178739 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/50. |
4085095.cif |
| 130797 | 2015-02-04 | cif/ Updating files of 4085095, 4085096, 4085097 Original log message: Adding full bibliography for 4085095--4085097.cif. |
4085095.cif |
| 129245 | 2014-12-30 | cif/ Adding structures of 4085095, 4085096, 4085097 via cif-deposit CGI script. |
4085095.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.