Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552439
Preview
Coordinates | 1552439.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Al3 Pd2 Yb |
---|---|
Calculated formula | Al3 Pd2 Yb |
Title of publication | Trapping an unprecedented Ti3C3 unit into the icosahedral C80 fullerene: A crystallographic survey |
Authors of publication | Yu, Pengyuan; Shen, Wangqiang; Bao, Lipiao; Pan, Changwang; Slanina, Zdenek; Lu, Xing |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 9.2956 ± 0.0007 Å |
b | 9.2956 ± 0.0007 Å |
c | 4.2016 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 314.41 ± 0.04 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 K |
Number of distinct elements | 3 |
Space group number | 191 |
Hermann-Mauguin space group symbol | P 6/m m m |
Hall space group symbol | -P 6 2 |
Residual factor for all reflections | 0.0176 |
Residual factor for significantly intense reflections | 0.0166 |
Weighted residual factors for significantly intense reflections | 0.0383 |
Weighted residual factors for all reflections included in the refinement | 0.0388 |
Goodness-of-fit parameter for significantly intense reflections | 1.62 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.61 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219340 (current) | 2019-10-15 | cif/ Adding structures of 1552428, 1552429, 1552430, 1552431, 1552432, 1552433, 1552434, 1552435, 1552436, 1552437, 1552438, 1552439 via cif-deposit CGI script. |
1552439.cif |
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.