Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070728
Preview
| Coordinates | 4070728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H47 Al N2 O2 |
|---|---|
| Calculated formula | C31 H47 Al N2 O2 |
| SMILES | [Al]1(O)(OCC)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions |
| Authors of publication | Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 769 |
| a | 16.954 ± 0.002 Å |
| b | 10.0454 ± 0.0015 Å |
| c | 17.892 ± 0.003 Å |
| α | 90° |
| β | 103.031 ± 0.002° |
| γ | 90° |
| Cell volume | 2968.7 ± 0.8 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07. |
4070728.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070728.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070728.cif |
| 42661 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070726, 4070727, 4070728, 4070729, 4070730 via cif-deposit CGI script. |
4070728.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.