Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037966
Preview
Coordinates | 7037966.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H15 B10 N O2 |
---|---|
Calculated formula | C4 H15 B10 N O2 |
SMILES | [C]1234(N=O)[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)COC |
Title of publication | Developing nitrosocarborane chemistry. |
Authors of publication | Powley, Samuel L.; Schaefer, Louise; Man, Wing Y.; Ellis, David; Rosair, Georgina M.; Welch, Alan J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 8 |
Pages of publication | 3635 - 3647 |
a | 23.339 ± 0.002 Å |
b | 7.5382 ± 0.0008 Å |
c | 14.5428 ± 0.0017 Å |
α | 90° |
β | 106.471 ± 0.006° |
γ | 90° |
Cell volume | 2453.6 ± 0.4 Å3 |
Cell temperature | 150 ± 0.2 K |
Ambient diffraction temperature | 150 ± 0.2 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 | 0.1594 |
Residual factor for significantly intense reflections | 0.0927 |
Weighted residual factors for significantly intense reflections | 0.191 |
Weighted residual factors for all reflections included in the refinement | 0.2093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
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/7037966.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.