Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4340891
Preview
Coordinates | 4340891.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H31 B F9 Fe3 N6 Tl |
---|---|
Calculated formula | C42 H31 B F9 Fe3 N6 Tl |
Title of publication | Ferrocenyl-Substituted Tris(pyrazolyl)borates-A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction. |
Authors of publication | Sirianni, Eric R.; Yap, Glenn P. A.; Theopold, Klaus H. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Journal volume | 53 |
Journal issue | 17 |
Pages of publication | 9424 - 9430 |
a | 10.6673 ± 0.0016 Å |
b | 11.2558 ± 0.0017 Å |
c | 18.13 ± 0.003 Å |
α | 95.653 ± 0.003° |
β | 90.62 ± 0.003° |
γ | 110.879 ± 0.002° |
Cell volume | 2021.5 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0801 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.0935 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4340891.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.