Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7006372
Preview
Coordinates | 7006372.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H71 B Cl6 Cu F4 N O P2 |
---|---|
Calculated formula | C54 H71 B Cl6 Cu F4 N O P2 |
SMILES | [Cu]1([P](=Cc2cccc3c2oc2c3cccc2C=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)[N]#CC.ClC(Cl)Cl.ClC(Cl)Cl.[B](F)(F)(F)[F-] |
Title of publication | 4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals. |
Authors of publication | Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 4 |
Pages of publication | 594 - 602 |
a | 11.931 ± 0.001 Å |
b | 14.527 ± 0.001 Å |
c | 19.169 ± 0.001 Å |
α | 107.92 ± 0.001° |
β | 92.03 ± 0.001° |
γ | 109.71 ± 0.001° |
Cell volume | 2939.9 ± 0.4 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.0628 |
Weighted residual factors for significantly intense reflections | 0.1618 |
Weighted residual factors for all reflections included in the refinement | 0.1806 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71069 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/7006372.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.