Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4120632
Preview
Coordinates | 4120632.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Complex 6 |
---|---|
Formula | C37 H59 N4 Nb |
Calculated formula | C37 H59 N4 Nb |
SMILES | CC1C=C(C)N2C(C)(C)C[Nb]2([N]=1c1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)NC(C)(C)C |
Title of publication | Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer. |
Authors of publication | Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 8 |
Pages of publication | 2994 |
a | 11.1687 ± 0.0004 Å |
b | 17.714 ± 0.0006 Å |
c | 19.7346 ± 0.0007 Å |
α | 105.313 ± 0.002° |
β | 102.083 ± 0.002° |
γ | 98.673 ± 0.002° |
Cell volume | 3593.3 ± 0.2 Å3 |
Cell temperature | 76 ± 2 K |
Ambient diffraction temperature | 76 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0732 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/4120632.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.