Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1502711
Preview
Coordinates | 1502711.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Gd3N@C86.NiOEP.2benzene |
---|---|
Formula | C134 H56 Gd3 N5 Ni |
Calculated formula | C134 H56 Gd2.663 N5 Ni |
Title of publication | Structural and Electrochemical Property Correlations of Metallic Nitride Endohedral Metallofullerenes |
Authors of publication | Chaur, Manuel N.; Aparicio-Anglès, Xavier; Mercado, Brandon Q.; Elliott, Bevan; Rodríguez-Fortea, Antonio; Clotet, Anna; Olmstead, Marilyn M.; Balch, Alan L.; Poblet, Josep M.; Echegoyen, Luis |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2010 |
Journal volume | 114 |
Journal issue | 30 |
Pages of publication | 13003 |
a | 25.2056 ± 0.0008 Å |
b | 15.4634 ± 0.0005 Å |
c | 19.9594 ± 0.0006 Å |
α | 90° |
β | 92.52 ± 0.002° |
γ | 90° |
Cell volume | 7771.9 ± 0.4 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1638 |
Weighted residual factors for all reflections included in the refinement | 0.1735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
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/1502711.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.