Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088021
Preview
Coordinates | 4088021.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H24 F6 Ni P2 |
---|---|
Calculated formula | C29 H24 F6 Ni P2 |
SMILES | [Ni]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C2(F)F |
Title of publication | d10 Nickel Difluorocarbenes and Their Cycloaddition Reactions with Tetrafluoroethylene |
Authors of publication | Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 24 |
Pages of publication | 5683 |
a | 9.6422 ± 0.0006 Å |
b | 15.7842 ± 0.001 Å |
c | 9.7038 ± 0.0006 Å |
α | 90° |
β | 116.749 ± 0.0011° |
γ | 90° |
Cell volume | 1318.82 ± 0.14 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0209 |
Residual factor for significantly intense reflections | 0.0201 |
Weighted residual factors for significantly intense reflections | 0.0493 |
Weighted residual factors for all reflections included in the refinement | 0.0496 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
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/4088021.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.