Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4135122
Preview
| Coordinates | 4135122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H172 Cu4 K4 N12 O28 Sn18 |
|---|---|
| Calculated formula | C84 H172 Cu4 K4 N12 O28 Sn18 |
| Title of publication | [Cu4@E18]4- (E=Sn, Pb): Fused Derivatives of Endohedral Stannaspherene and Plumbaspherene. |
| Authors of publication | Lei, Qiao; Zhang, Chao; Shu, Cong-Cong; Morgan, Harry; McGrady, John E.; Sun, Zhong-Ming |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 15.6801 ± 0.0003 Å |
| b | 15.8817 ± 0.0003 Å |
| c | 16.6035 ± 0.0003 Å |
| α | 107.945 ± 0.002° |
| β | 96.88 ± 0.001° |
| γ | 112.688 ± 0.002° |
| Cell volume | 3492.49 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254626 (current) | 2020-07-29 | cif/ Adding structures of 4135122 via cif-deposit CGI script. |
4135122.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.