Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086656
Preview
Coordinates | 4086656.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H21 B Cl3 F4 Fe N O3 P |
---|---|
Calculated formula | C29 H21 B Cl3 F4 Fe N O3 P |
SMILES | [Fe]1([P](c2c(C=[N]1c1ccc(Cl)cc1)cccc2)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-].ClCCl |
Title of publication | Imine-Centered Reactions in Imino-Phosphine Complexes of Iron Carbonyls |
Authors of publication | Chu, Wan-Yi; Richers, Casseday P.; Kahle, Elizabeth R.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 17 |
Pages of publication | 2782 |
a | 10.0087 ± 0.0003 Å |
b | 17.369 ± 0.0005 Å |
c | 17.4659 ± 0.0005 Å |
α | 90° |
β | 101.249 ± 0.0014° |
γ | 90° |
Cell volume | 2977.96 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation probe | x-ray |
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/4086656.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.