Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7038434
Preview
Coordinates | 7038434.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35.5 H57.5 B N2 P |
---|---|
Calculated formula | C34 H54 B N2 P |
SMILES | [P](C=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C(C)C)(C(C)C)[BH3] |
Title of publication | Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units. |
Authors of publication | Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 24 |
Pages of publication | 9860 - 9870 |
a | 42.175 ± 0.0006 Å |
b | 42.175 ± 0.0006 Å |
c | 10.4933 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 16164.2 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0566 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1343 |
Weighted residual factors for all reflections included in the refinement | 0.1428 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7038434.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.