Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7207997
Preview
| Coordinates | 7207997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H48 I5 O8 S8 Tb |
|---|---|
| Calculated formula | C16 H48 I5 O8 S8 Tb |
| SMILES | CS(C)=[O][Tb]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-](I)I.[I-].[I-] |
| Title of publication | Solid-state structural transformations in metal organic-inorganic hybrids constructed from terbium(iii) complexes and iodocuprate clusters |
| Authors of publication | Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 3894 |
| a | 19.474 ± 0.001 Å |
| b | 18.597 ± 0.001 Å |
| c | 12.222 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4426.3 ± 0.8 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b n a |
| Hall space group symbol | -P 2ac 2b |
| Residual factor for all reflections | 0.1141 |
| Residual factor for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections | 0.1739 |
| Weighted residual factors for significantly intense reflections | 0.1689 |
| Weighted residual factors for all reflections included in the refinement | 0.1739 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0551 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207997.cif |
| 180410 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/79. |
7207997.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207997.cif |
| 60415 | 2012-06-14 | cif/ Adding structures of 7207994, 7207995, 7207996, 7207997, 7207998 via cif-deposit CGI script. |
7207997.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.