Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2211902
Preview
Coordinates | 2211902.cif |
---|---|
Structure factors | 2211902.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(2-methylquinolin-8-olato-κ^2^N,O)(6-phenyl-2-naphtholato-κO)aluminium(III) |
---|---|
Formula | C36 H27 Al N2 O3 |
Calculated formula | C36 H27 Al N2 O3 |
SMILES | [Al]12(Oc3c4[n]1c(ccc4ccc3)C)(Oc1c3[n]2c(ccc3ccc1)C)Oc1cc2ccc(cc2cc1)c1ccccc1 |
Title of publication | Bis(2-methylquinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)(6-phenyl-2-naphtholato-κ<i>O</i>)aluminium(III) |
Authors of publication | Rajeswaran, Manju; Place, David W.; Bakos, Vincent W.; Deaton, Joseph C.; Brown, Christopher T.; Lenhart, William C. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 1 |
Pages of publication | m54 - m56 |
a | 11.7 ± 0.0003 Å |
b | 16.993 ± 0.0004 Å |
c | 14.578 ± 0.0004 Å |
α | 90° |
β | 93.519 ± 0.001° |
γ | 90° |
Cell volume | 2892.91 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 295 ± 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 | 0.1253 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2211902.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.