Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4129724
Preview
| Coordinates | 4129724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C258 H162 Co4 F48 N39 O28 P7 S2 |
|---|---|
| Calculated formula | C257.3 H162 Co4 F25.65 N38.65 O26.6 P3.625 S1.3 |
| Title of publication | Stacking Interactions Drive Selective Self-Assembly and Self-Sorting of Pyrene-Based M(II)4L6 Architectures. |
| Authors of publication | Ronson, Tanya K.; Roberts, Derrick A.; Black, Samuel P.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 45 |
| Pages of publication | 14502 - 14512 |
| a | 27.1632 ± 0.0017 Å |
| b | 44.317 ± 0.003 Å |
| c | 29.6106 ± 0.0015 Å |
| α | 90° |
| β | 91.101 ± 0.002° |
| γ | 90° |
| Cell volume | 35638 ± 4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1176 |
| Residual factor for significantly intense reflections | 0.0935 |
| Weighted residual factors for significantly intense reflections | 0.2479 |
| Weighted residual factors for all reflections included in the refinement | 0.2714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240392 (current) | 2019-11-25 | cif/ Adding structures of 4129724 via cif-deposit CGI script. |
4129724.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.