Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040144
Preview
Coordinates | 7040144.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H68 Al2 N2 O2 |
---|---|
Calculated formula | C51 H68 Al2 N2 O2 |
SMILES | [Al]1(Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C=[N]1c1cccc2c1c([N]1[Al](Oc3c(C=1)cc(cc3C(C)(C)C)C(C)(C)C)(C)C)ccc2)(C)C.c1(ccccc1)C |
Title of publication | Monomeric and dimeric Al(iii) complexes for the production of polylactide. |
Authors of publication | Kirk, Sarah M.; Quilter, Helena C.; Buchard, Antoine; Thomas, Lynne H.; Kociok-Kohn, Gabriele; Jones, Matthew D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13846 - 13852 |
a | 12.6028 ± 0.0006 Å |
b | 12.7588 ± 0.0006 Å |
c | 16.5415 ± 0.0005 Å |
α | 109.99 ± 0.004° |
β | 107.578 ± 0.004° |
γ | 90.572 ± 0.004° |
Cell volume | 2363.7 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150.01 ± 0.1 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 | 0.0722 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1698 |
Weighted residual factors for all reflections included in the refinement | 0.1885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040144.html
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.