Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4066817
Preview
Coordinates | 4066817.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H76 N3 Nb O6 |
---|---|
Calculated formula | C58 H76 N3 Nb O6 |
SMILES | [Nb]12(O)(=Nc3c(cccc3C(C)C)C(C)C)([N](=C(c3c1c1OCOc1cc3)C)c1c(cccc1C(C)C)C(C)C)[N](=C(c1c2c2OCOc2cc1)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC |
Title of publication | Derivatization of Niobium Complexes Bearing Imido and Acetophenone Imine Ligands |
Authors of publication | Neshat, Abdollah; Schmidt, Joseph A. R. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 23 |
Pages of publication | 6219 |
a | 13.0131 ± 0.0014 Å |
b | 16.1081 ± 0.0017 Å |
c | 25.1 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5261.4 ± 1 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1384 |
Residual factor for significantly intense reflections | 0.0589 |
Weighted residual factors for significantly intense reflections | 0.1264 |
Weighted residual factors for all reflections included in the refinement | 0.1749 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/4066817.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.