Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108060
Preview
Coordinates | 4108060.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | La@C72Ad |
---|---|
Chemical name | La@C72Ad |
Formula | C94 H22 Cl4 La2 |
Calculated formula | C94 H22 Cl4 La2.0002 |
Title of publication | Chemical Understanding of a Non-IPR Metallofullerene: Stabilization of Encaged Metals on Fused-Pentagon Bonds in La2@C72 |
Authors of publication | Xing Lu; Hidefumi Nikawa; Tsukasa Nakahodo; Takahiro Tsuchiya; Midori O. Ishitsuka; Yutaka Maeda; Takeshi Akasaka; Makoto Toki; Hiroshi Sawa; Zdenek Slanina; Naomi Mizorogi; Shigeru Nagase |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9129 - 9136 |
a | 10.4412 ± 0.0009 Å |
b | 15.5 ± 0.0016 Å |
c | 17.919 ± 0.0014 Å |
α | 110.931 ± 0.005° |
β | 95.813 ± 0.004° |
γ | 104.328 ± 0.005° |
Cell volume | 2566.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for significantly intense reflections | 0.2015 |
Weighted residual factors for all reflections included in the refinement | 0.2131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.9983 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/4108060.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.