Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7101286
Preview
Coordinates | 7101286.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | C-pentylpyrogallol(4)arene gallium acetone adduct |
---|---|
Chemical name | C-pentylpyrogallol[4]arene gallium acetone adduct |
Formula | C341.33 H403.33 Ga12 O137 |
Calculated formula | C341.34 H403.34 Ga12 O137 |
Title of publication | Hexameric C-alkylpyrogallol[4]arene Molecular Capsules Sustained by Metal-ion Coordination and Hydrogen Bonds |
Authors of publication | Robert M. McKinaly; Praveen K. Thallapally; J. L. Atwood |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 28 |
a | 26.332 ± 0.005 Å |
b | 28.646 ± 0.005 Å |
c | 29.686 ± 0.005 Å |
α | 90° |
β | 104.993 ± 0.003° |
γ | 90° |
Cell volume | 21630 ± 7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1828 |
Residual factor for significantly intense reflections | 0.1195 |
Weighted residual factors for significantly intense reflections | 0.3365 |
Weighted residual factors for all reflections included in the refinement | 0.4081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.445 |
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/7101286.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.