Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4104804
Preview
Coordinates | 4104804.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | La@C80C6H3Cl2 |
---|---|
Chemical name | La@C80C6H3Cl2 |
Formula | C96.5 H15 Cl2 La |
Calculated formula | C96.5 H15 Cl2 La0.9998 |
Title of publication | Missing Metallofullerene with C80 Cage |
Authors of publication | Hidefumi Nikawa; Tomoya Yamada; Baopeng Cao; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Takeshi Akasaka; Kenji Yoza; Shigeru Nagase |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 10950 - 10954 |
a | 11.5336 ± 0.0016 Å |
b | 22.057 ± 0.003 Å |
c | 20.237 ± 0.003 Å |
α | 90° |
β | 105.548 ± 0.002° |
γ | 90° |
Cell volume | 4959.8 ± 1.2 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1155 |
Residual factor for significantly intense reflections | 0.0983 |
Weighted residual factors for significantly intense reflections | 0.2288 |
Weighted residual factors for all reflections included in the refinement | 0.239 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation probe | x-ray |
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/4104804.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.