Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029091
Preview
Coordinates | 7029091.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H44 F18 N4 Na3 O8 P3 |
---|---|
Calculated formula | C24 H44 F18 N4 Na3 O8 P3 |
SMILES | N12CCCC2=[O]([Na]234([O](CC1)CCN1C(=[O]25)CCC1)[O](CCN1CCCC1=[O]41)CCN2CCCC2=[O]3[Na]5([OH2])[F][P](F)(F)(F)(F)F)[Na]1([OH2])[F][P](F)(F)(F)(F)F.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | N-Alkyl pyrrolidone ether podands as versatile alkali metal ion chelants. |
Authors of publication | Perrin, Andrea; Myers, Dominic; Fucke, Katharina; Musa, Osama M.; Steed, Jonathan W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 8 |
Pages of publication | 3153 - 3161 |
a | 13.848 ± 0.002 Å |
b | 17.969 ± 0.003 Å |
c | 16.913 ± 0.003 Å |
α | 90° |
β | 107.686 ± 0.018° |
γ | 90° |
Cell volume | 4009.6 ± 1.2 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.3039 |
Residual factor for significantly intense reflections | 0.1745 |
Weighted residual factors for significantly intense reflections | 0.4286 |
Weighted residual factors for all reflections included in the refinement | 0.4949 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
Diffraction radiation wavelength | 0.7107 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/7029091.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.