Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7038172
Preview
Coordinates | 7038172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H32 F6 N O6 P3 S2 |
---|---|
Calculated formula | C14 H32 F6 N O6 P3 S2 |
SMILES | P([P+](C)(C)C)([P+](C)(C)C)N(C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | 2-Phosphino-1,3-diphosphonium ions. |
Authors of publication | Gray, Paul A.; Carpenter, Yuen-Ying; Burford, Neil; McDonald, Robert |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2124 - 2129 |
a | 11.9037 ± 0.0006 Å |
b | 13.9854 ± 0.0007 Å |
c | 24.2752 ± 0.0011 Å |
α | 90° |
β | 104.151 ± 0.0005° |
γ | 90° |
Cell volume | 3918.6 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0325 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/7038172.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.