Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032828
Preview
| Coordinates | 7032828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H55 F6 Fe N7 O7 S2 |
|---|---|
| Calculated formula | C41 H55 F6 Fe N7 O7 S2 |
| Title of publication | Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere. |
| Authors of publication | Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 45 |
| Pages of publication | 16992 - 16995 |
| a | 13.3678 ± 0.0005 Å |
| b | 17.3124 ± 0.0007 Å |
| c | 20.3828 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4717.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032828.cif |
| 180034 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032828.cif |
| 126415 | 2014-11-06 | cif/ Updating files of 7032823, 7032824, 7032825, 7032826, 7032827, 7032828 Original log message: Adding full bibliography for 7032823--7032828.cif. |
7032828.cif |
| 125529 | 2014-10-18 | cif/ Adding structures of 7032823, 7032824, 7032825, 7032826, 7032827, 7032828 via cif-deposit CGI script. |
7032828.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.