Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7031868
Preview
Coordinates | 7031868.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | methyl-(bis(3,4-trifluoromethyl-pyrrole)-trans-bis- trimethylphosphine-nickel(ii) |
---|---|
Formula | C13 H23 F6 N Ni P2 |
Calculated formula | C13 H23 F6 N Ni P2 |
SMILES | [Ni]([P](C)(C)C)([P](C)(C)C)(n1cc(C(F)(F)F)c(c1)C(F)(F)F)C |
Title of publication | Synthesis and structures of mononuclear 3,4-bis(trifluoromethyl)pyrrolyl complexes of Rh(i) and Ni(ii). |
Authors of publication | Rivers, Joseph H.; Jones, Richard A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 43 |
Pages of publication | 16275 - 16282 |
a | 9.446 ± 0.0013 Å |
b | 19.127 ± 0.003 Å |
c | 11.7898 ± 0.0016 Å |
α | 90° |
β | 116.467 ± 0.003° |
γ | 90° |
Cell volume | 1906.9 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0579 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0907 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/7031868.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.