Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4106429
Preview
Coordinates | 4106429.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Yb@C80Ni(OEP) |
---|---|
Chemical name | Yb@C80Ni(OEP) |
Formula | C126 H53 N4 Ni S2 Yb |
Calculated formula | C126.268 H53 N4 Ni S2 Yb |
Title of publication | Crystallographic X-ray Analyses of Yb@C2v(3)-C80 Reveal a Feasible Rule That Governs the Location of a Rare Earth Metal inside a Medium-Sized Fullerene |
Authors of publication | Xing Lu; Yongfu Lian; Christine M. Beavers; Naomi Mizorogi; Zdenek Slanina; Shigeru Nagase; Takeshi Akasaka |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 10772 - 10775 |
a | 15.448 ± 0.003 Å |
b | 15.944 ± 0.003 Å |
c | 17.894 ± 0.004 Å |
α | 76.713 ± 0.002° |
β | 73.192 ± 0.002° |
γ | 64.903 ± 0.002° |
Cell volume | 3791.4 ± 1.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0831 |
Residual factor for significantly intense reflections | 0.082 |
Weighted residual factors for significantly intense reflections | 0.2079 |
Weighted residual factors for all reflections included in the refinement | 0.2089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/4106429.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.