Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2005942
Preview
Coordinates | 2005942.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Triphenylphosphonium tetradecahydro-nido-undecaborate(-1) |
---|---|
Formula | C18 H30 B11 P |
Calculated formula | C18 H30 B11 P |
SMILES | [PH+](c1ccccc1)(c1ccccc1)c1ccccc1.[BH]1234[BH]567[BH]891[BH]1%102[BH2]29[BH]589[H][BH]579[BH]736[BH]34%10[BH]124[H][BH]4573 |
Title of publication | [Ph~3~PH][<i>nido</i>-B~11~H~14~] |
Authors of publication | McGrath, T. D.; McGrathand, A. J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 2 |
Pages of publication | 229 - 231 |
a | 8.641 ± 0.003 Å |
b | 13.064 ± 0.002 Å |
c | 10.945 ± 0.003 Å |
α | 90° |
β | 106.861 ± 0.002° |
γ | 90° |
Cell volume | 1182.4 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.123 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for all reflections | 0.1653 |
Weighted residual factors for significantly intense reflections | 0.1497 |
Goodness-of-fit parameter for all reflections | 1.028 |
Goodness-of-fit parameter for significantly intense reflections | 1.255 |
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/2005942.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.