Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7707550
Preview
Coordinates | 7707550.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C199.28 H253.41 N10.14 Na O19 Sc4 |
---|---|
Calculated formula | C199.276 H253.414 N10.138 Na O19 Sc4 |
Title of publication | Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies. |
Authors of publication | Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 24 |
Pages of publication | 8302 - 8306 |
a | 22.0606 ± 0.00016 Å |
b | 33.26103 ± 0.00018 Å |
c | 28.1751 ± 0.0002 Å |
α | 90° |
β | 111.471 ± 0.0009° |
γ | 90° |
Cell volume | 19239 ± 0.3 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0866 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for significantly intense reflections | 0.1832 |
Weighted residual factors for all reflections included in the refinement | 0.2019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7707550.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.