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Information card for entry 7207996
Preview
| Coordinates | 7207996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H54 Cu I4 O9 S9 Tb |
|---|---|
| Calculated formula | C18 H54 Cu I4 O9 S9 Tb |
| 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 | 10.8626 ± 0.0005 Å |
| b | 11.9515 ± 0.0005 Å |
| c | 18.3798 ± 0.0008 Å |
| α | 86.195 ± 0.003° |
| β | 87.561 ± 0.003° |
| γ | 87.005 ± 0.003° |
| Cell volume | 2375.8 ± 0.18 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for all reflections | 0.111 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0253 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7207996.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7207996.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207996.cif |
| 60415 | 2012-06-14 | cif/ Adding structures of 7207994, 7207995, 7207996, 7207997, 7207998 via cif-deposit CGI script. |
7207996.cif |
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Users of the data should acknowledge the original authors of the
structural data.