Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086283
Preview
Coordinates | 4086283.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H50 Fe N2 O3 Si2 |
---|---|
Calculated formula | C32 H50 Fe N2 O3 Si2 |
SMILES | [Fe]1234(C#[O])(C#[O])(=C5N(C=CN5C5CCCCC5)C5CCCCC5)[C]5(=O)[C]1(=[C]12[C]3(=[C]45[Si](C)(C)C)CCCC1)[Si](C)(C)C |
Title of publication | Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides |
Authors of publication | Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 4521 |
a | 10.4166 ± 0.0004 Å |
b | 21.1251 ± 0.0007 Å |
c | 16.6337 ± 0.0007 Å |
α | 90° |
β | 93.953 ± 0.001° |
γ | 90° |
Cell volume | 3651.6 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0708 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.116 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/4086283.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.