Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016087
Preview
Coordinates | 7016087.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H73 B F20 N3 Nb O2 |
---|---|
Calculated formula | C66 H73 B F20 N3 Nb O2 |
SMILES | [Nb]1(C)(=NC(C)(C)C)[N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.CCOCC.CCOCC |
Title of publication | Synthesis and reactivity of cationic niobium and tantalum methyl complexes supported by imido and β-diketiminato ligands. |
Authors of publication | Tomson, Neil C.; Arnold, John; Bergman, Robert G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 30 |
Pages of publication | 7718 - 7729 |
a | 13.616 ± 0.003 Å |
b | 16.444 ± 0.003 Å |
c | 17.04 ± 0.003 Å |
α | 114.348 ± 0.002° |
β | 102.282 ± 0.003° |
γ | 91.108 ± 0.003° |
Cell volume | 3371.7 ± 1.1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0935 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.1315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7016087.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.