Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4121831
Preview
Coordinates | 4121831.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4(Sc2@C66)/1.42(C8H10)/1.00(CS2)/0.58(C6H14) |
---|---|
Formula | C279.84 H22.32 S2 Sc8 |
Calculated formula | C279.84 H22.32 S2 Sc8 |
Title of publication | Sc2@C66 Revisited: An Endohedral Fullerene with Scandium Ions Nestled within Two Unsaturated Linear Triquinanes. |
Authors of publication | Yamada, Michio; Kurihara, Hiroki; Suzuki, Mitsuaki; Guo, Jing Dong; Waelchli, Markus; Olmstead, Marilyn M.; Balch, Alan L.; Nagase, Shigeru; Maeda, Yutaka; Hasegawa, Tadashi; Lu, Xing; Akasaka, Takeshi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 21 |
Pages of publication | 7611 - 7614 |
a | 18.864 ± 0.003 Å |
b | 17.514 ± 0.003 Å |
c | 20.244 ± 0.003 Å |
α | 90° |
β | 99.656 ± 0.002° |
γ | 90° |
Cell volume | 6593.5 ± 1.8 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1562 |
Weighted residual factors for all reflections included in the refinement | 0.1624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4121831.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.