Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086830
Preview
Coordinates | 4086830.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H27 Cl3 Cr N5 |
---|---|
Calculated formula | C16 H27 Cl3 Cr N5 |
SMILES | [Cr]12(Cl)(Cl)(Cl)[n]3c(cc(n3C[N]1(Cn1c(cc([n]21)C)C)CCCC)C)C |
Title of publication | Alternating α-Olefin Distributions via Single and Double Insertions in Chromium-Catalyzed Ethylene Oligomerization |
Authors of publication | Tomov, Atanas K.; Nobbs, James D.; Chirinos, Juan J.; Saini, Prabhjot K.; Malinowski, Robert; Ho, Sarah K. Y.; Young, Craig T.; McGuinness, David S.; White, Andrew J. P.; Elsegood, Mark R. J.; Britovsek, George J. P. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 36 |
Journal issue | 3 |
Pages of publication | 510 |
a | 8.6125 ± 0.0003 Å |
b | 10.0746 ± 0.0004 Å |
c | 23.943 ± 0.0009 Å |
α | 90° |
β | 97.011 ± 0.003° |
γ | 90° |
Cell volume | 2061.94 ± 0.13 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0963 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1463 |
Weighted residual factors for all reflections included in the refinement | 0.1758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4086830.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.