Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7028172
Preview
Coordinates | 7028172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C63 H86 N6 O10 U |
---|---|
Calculated formula | C63 H86 N6 O10 U |
Title of publication | A neutral uranyl dimeric complex and remarkable extraction properties of a 1-acid 3-diethyl amide substituted calix[4]arene ligand |
Authors of publication | Beer, Paul D.; Drew, Michael G. B.; Hesek, Dusan; Kan, Mark; Nicholson, Graeme; Schmitt, Philippe; Sheen, Paul D.; Williams, Gareth |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 17 |
Pages of publication | 2783 |
a | 12.35 ± 0.009 Å |
b | 12.765 ± 0.012 Å |
c | 23.67 ± 0.03 Å |
α | 94.643 ± 0.01° |
β | 97.523 ± 0.01° |
γ | 110.143 ± 0.01° |
Cell volume | 3441 ± 6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1093 |
Residual factor for significantly intense reflections | 0.0695 |
Weighted residual factors for significantly intense reflections | 0.1736 |
Weighted residual factors for all reflections included in the refinement | 0.203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
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/7028172.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.