Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7714922
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7714922.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | DB-550 |
---|---|
Formula | C26 H16 F3 O7 P W |
Calculated formula | C26 H16 F3 O7 P W |
SMILES | [W]([PH](OC(=O)C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Access to ligand-stabilized PH-containing phosphenium complexes. |
Authors of publication | Biskup, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 6 |
Pages of publication | 2517 - 2525 |
a | 11.7247 ± 0.0003 Å |
b | 11.0478 ± 0.0004 Å |
c | 19.569 ± 0.0005 Å |
α | 90° |
β | 95.179 ± 0.002° |
γ | 90° |
Cell volume | 2524.47 ± 0.13 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
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 | 0.0923 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.1711 |
Weighted residual factors for all reflections included in the refinement | 0.2016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/7714922.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.