Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4104871
Preview
Coordinates | 4104871.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Gd3N@C8.NiOEP.1.5benzene |
---|---|
Formula | C123 H53 Gd3 N5 Ni |
Calculated formula | C122.922 H53 Gd2.99 N5 Ni |
Title of publication | Large Metal Ions in a Relatively Small Fullerene Cage: The Structure of Gd3N@C2(22010)-C78 Departs from the Isolated Pentagon Rule |
Authors of publication | Christine M. Beavers; Manuel N. Chaur; Marilyn M. Olmstead; Luis Echegoyen; Alan L. Balch |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 11519 - 11524 |
a | 24.9897 ± 0.0006 Å |
b | 15.0876 ± 0.0004 Å |
c | 39.2517 ± 0.001 Å |
α | 90° |
β | 94.208 ± 0.001° |
γ | 90° |
Cell volume | 14759.4 ± 0.6 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1203 |
Residual factor for significantly intense reflections | 0.096 |
Weighted residual factors for significantly intense reflections | 0.2762 |
Weighted residual factors for all reflections included in the refinement | 0.3026 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4104871.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.