Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7111695
Preview
Coordinates | 7111695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 B10 N3 P |
---|---|
Calculated formula | C26 H30 B10 N3 P |
SMILES | P(=NN=N[C]1234[C]567([BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Stabilization of acyclic phosphazides using the ortho-closo-dicarbadodecaboranyl residue |
Authors of publication | Kennedy, Robert D. |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 26 |
Pages of publication | 4782 - 4784 |
a | 10.694 ± 0.005 Å |
b | 11.893 ± 0.005 Å |
c | 12.072 ± 0.005 Å |
α | 66.726 ± 0.005° |
β | 89.472 ± 0.005° |
γ | 82.792 ± 0.005° |
Cell volume | 1397.9 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0485 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.102 |
Weighted residual factors for all reflections included in the refinement | 0.1087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7111695.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.