Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029411
Preview
Coordinates | 7029411.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H37 Al B2 N4 |
---|---|
Calculated formula | C11 H37 Al B2 N4 |
SMILES | [AlH2]12[N](C)(C)CC[N]1(C)CC[N]2(C)C.[N]([BH3])([BH3])(C)C |
Title of publication | Reactivity and catalytic activity of tert-butoxy-aluminium hydride reagents. |
Authors of publication | Less, Robert J.; Simmonds, Hayley R.; Wright, Dominic S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 15 |
Pages of publication | 5785 - 5792 |
a | 6.0538 ± 0.0004 Å |
b | 12.6086 ± 0.0006 Å |
c | 13.397 ± 0.0009 Å |
α | 114.25 ± 0.002° |
β | 93.497 ± 0.002° |
γ | 99.234 ± 0.003° |
Cell volume | 911.08 ± 0.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.1569 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1449 |
Weighted residual factors for all reflections included in the refinement | 0.1699 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/7029411.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.