Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4129725
Preview
| Coordinates | 4129725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C276 H177 F48 Fe4 N33 O32 S16 |
|---|---|
| Calculated formula | C271.164 H177 F32.25 Fe4 N30.25 O21 S10.75 |
| 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 | 21.7632 ± 0.0011 Å |
| b | 29.6794 ± 0.0014 Å |
| c | 45.408 ± 0.002 Å |
| α | 90° |
| β | 98.851 ± 0.001° |
| γ | 90° |
| Cell volume | 28981 ± 2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1713 |
| Residual factor for significantly intense reflections | 0.1398 |
| Weighted residual factors for significantly intense reflections | 0.3816 |
| Weighted residual factors for all reflections included in the refinement | 0.401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.574 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240393 (current) | 2019-11-25 | cif/ Adding structures of 4129725 via cif-deposit CGI script. |
4129725.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.