Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4130347
Preview
| Coordinates | 4130347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C509 H321 F213 Fe10 N74 O2 P20 S |
|---|---|
| Calculated formula | C509 H315 F199.5 Fe10 N74 O2 P17.75 S |
| Title of publication | Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms. |
| Authors of publication | Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 21 |
| Pages of publication | 6813 - 6821 |
| a | 31.49 ± 0.003 Å |
| b | 32.933 ± 0.003 Å |
| c | 41.016 ± 0.004 Å |
| α | 86.685 ± 0.005° |
| β | 80.468 ± 0.004° |
| γ | 65.452 ± 0.004° |
| Cell volume | 38154 ± 6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2877 |
| Residual factor for significantly intense reflections | 0.2118 |
| Weighted residual factors for significantly intense reflections | 0.502 |
| Weighted residual factors for all reflections included in the refinement | 0.5527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.517 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240810 (current) | 2019-11-25 | cif/ Adding structures of 4130347 via cif-deposit CGI script. |
4130347.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.