Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052030
Preview
Coordinates | 7052030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H60 Eu N Na0.5 O40 S5 |
---|---|
Calculated formula | C45 H33 Eu N2 O39.5 S5 |
SMILES | c12cc(cc(c1O)Cc1cc(S(=O)(=O)[O-])cc(c1O)Cc1cc(S(=O)(=O)[O-])cc(c1O)Cc1cc(S(=O)(=O)[O-])cc(c1O)Cc1c(c(cc(S(=O)(=O)[O-])c1)C2)O)S(=O)(=O)[O-].O.n1(ccc(cc1)c1ccn(cc1)=O)=O.[Eu]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O |
Title of publication | Versatility of p-sulfonatocalix[5]arene in building up multicomponent bilayers |
Authors of publication | Dalgarno, Scott J.; Warren, John E.; Atwood, Jerry L.; Raston, Colin L. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2008 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 2100 |
a | 30.0333 ± 0.0004 Å |
b | 19.4301 ± 0.0003 Å |
c | 21.3461 ± 0.0007 Å |
α | 90° |
β | 92.94 ± 0.001° |
γ | 90° |
Cell volume | 12440.1 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1377 |
Residual factor for significantly intense reflections | 0.1115 |
Weighted residual factors for significantly intense reflections | 0.258 |
Weighted residual factors for all reflections included in the refinement | 0.2776 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7052030.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.