Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039040
Preview
Coordinates | 7039040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H44 Cu F3 O3 P4 S |
---|---|
Calculated formula | C36 H44 Cu P4 |
SMILES | [Cu]123[P]4(CCC[P]3(CCC[P]1(CCC[P]2(CCC4)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Synthesis of tetraphosphine macrocycles using copper(i) templates. |
Authors of publication | Nell, Bryan P.; Swor, Charles D.; Henle, E. Adrian; Zakharov, Lev N.; Rinehart, N. Ian; Nathan, Aditya; Tyler, David R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 19 |
Pages of publication | 8253 - 8264 |
a | 13.207 ± 0.004 Å |
b | 13.207 ± 0.004 Å |
c | 10.681 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1863 ± 1.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.1026 |
Residual factor for significantly intense reflections | 0.0822 |
Weighted residual factors for significantly intense reflections | 0.2187 |
Weighted residual factors for all reflections included in the refinement | 0.2337 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/7039040.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.