Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341702
Preview
Coordinates | 4341702.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H128 Co4 Li8 O114 |
---|---|
Calculated formula | C96 H128 Co4 Li8 O114 |
SMILES | [C@@H]12[C@@H]3[C@@H]4O[C@@H]([C@H]1O[C@@H]15[C@@H]6O[Li]7([OH2])[O]2[Co]2([OH2])(O3)O[C@@H]3[C@@H]8[C@@H]9[C@@H](CO)O[C@@H]3O[C@@H]3[C@@H](CO)O[C@@H]%10%11[C@@H]([C@H]3O7)O[Li]3([OH2])[O]7[C@@H]%12[C@@H]%13[C@H](O[C@@H]([C@H]%12O%11)CO)O[C@@H]%11[C@@H](CO)O[C@@H]%12O[C@H]%14[C@H]%15[C@@H]%16[C@H](O[C@@H]%14CO)O[C@@H]%14[C@@H](CO)O[C@@H]%17O[C@H]%18[C@H]%19[C@@H]%20[C@H](O[C@@H]%18CO)O[C@@H]%18[C@@H](CO)O[C@H]([O]9%10)[C@H]9[C@H]%18O[Li]%10([OH2])[O]%18[C@@H]%21[C@@H]%22[C@H](O[C@@H]([C@H]%21O[C@H]%21[O]1[C@H]([C@H]([C@H](O[Li]([OH2])([O]28)O9)[C@H]%21O%10)O4)CO)CO)O[C@H]1[C@@H]2O[Li]([OH2])([O]%19[Co]%18([OH2])(O%22)O%20)O[C@@H]%17[C@H]%14O[Li]4([OH2])[O]8[C@@H]9[C@@H]%10[C@H](O[C@@H]([C@H]9O[C@@H](O[C@@H]1CO)[C@@H]2O4)CO)O[C@H]1[C@@H]2O[Li]([OH2])([O]%15[Co]8([OH2])(O%10)O%16)O[C@@H]%12[C@H]%11O[Li]4([OH2])[O]8[C@@H]9[C@H]([C@H](O[C@@H]([C@H]9O[C@@H](O[C@@H]1CO)[C@@H]2O4)CO)O[C@@H]([C@@H]6O3)[C@@H](CO)O5)O[Co]78([OH2])O%13)CO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Supramolecular Control over Molecular Magnetic Materials: γ-Cyclodextrin-Templated Grid of Cobalt(II) Single-Ion Magnets |
Authors of publication | Nedelko, Natalia; Kornowicz, Arkadiusz; Justyniak, Iwona; Aleshkevych, Pavlo; Prochowicz, Daniel; Krupiński, Piotr; Dorosh, Orest; Ślawska-Waniewska, Anna; Lewiński, Janusz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2014 |
Pages of publication | 141119083628003 |
a | 25.4682 ± 0.0009 Å |
b | 25.4682 ± 0.0009 Å |
c | 15.3628 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9964.8 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 75 |
Hermann-Mauguin space group symbol | P 4 |
Hall space group symbol | P 4 |
Residual factor for all reflections | 0.1663 |
Residual factor for significantly intense reflections | 0.0973 |
Weighted residual factors for significantly intense reflections | 0.1944 |
Weighted residual factors for all reflections included in the refinement | 0.2426 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
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/4341702.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.