Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037939
Preview
Coordinates | 7037939.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H44 Cr N2 O4 P2 |
---|---|
Calculated formula | C26 H44 Cr N2 O4 P2 |
SMILES | [Cr]([P]1(NC(C)C)C2CCCC1CCC2)([P]1(NC(C)C)C2CCCC1CCC2)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation. |
Authors of publication | Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2294 - 2307 |
a | 9.5739 ± 0.0002 Å |
b | 12.2783 ± 0.0002 Å |
c | 13.2759 ± 0.0002 Å |
α | 69.267 ± 0.001° |
β | 89.137 ± 0.001° |
γ | 71.601 ± 0.001° |
Cell volume | 1376.68 ± 0.04 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0332 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/7037939.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.