Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7031949
Preview
Coordinates | 7031949.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,2-Bis(dimethylphosphino)ethane-bis(trichloroaluminium(III)) |
---|---|
Formula | C6 H16 Al2 Cl6 P2 |
Calculated formula | C6 H16 Al2 Cl6 P2 |
SMILES | C[P]([Al](Cl)(Cl)Cl)(C)CC[P](C)(C)[Al](Cl)(Cl)Cl |
Title of publication | Phosphine complexes of aluminium(iii) halides - preparation and structural and spectroscopic systematics. |
Authors of publication | Burt, Jennifer; Levason, William; Light, Mark E.; Reid, Gillian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 39 |
Pages of publication | 14600 - 14611 |
a | 10.738 ± 0.006 Å |
b | 7.948 ± 0.004 Å |
c | 11.772 ± 0.006 Å |
α | 90° |
β | 113.938 ± 0.009° |
γ | 90° |
Cell volume | 918.3 ± 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 | 0.0647 |
Residual factor for significantly intense reflections | 0.0506 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7031949.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.