Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117734
Preview
| Coordinates | 7117734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H121 Cl4 Mg2 N9 O4 |
|---|---|
| Calculated formula | C90 H117 Mg2 N9 O4 |
| Title of publication | Metal-coordination-driven mixed ligand binding in supramolecular bisporphyrin tweezers |
| Authors of publication | Sk Asif Ikbal; Avinash Dhamija; Sankar Prasad Rath |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14107 |
| a | 13.267 ± 0.0018 Å |
| b | 18.521 ± 0.003 Å |
| c | 20.98 ± 0.003 Å |
| α | 86.112 ± 0.002° |
| β | 73.433 ± 0.002° |
| γ | 69.33 ± 0.002° |
| Cell volume | 4620 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.146 |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for significantly intense reflections | 0.2184 |
| Weighted residual factors for all reflections included in the refinement | 0.2511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.926 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153892 (current) | 2015-09-02 | cif/ Adding structures of 7117731, 7117732, 7117733, 7117734 via cif-deposit CGI script. |
7117734.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.