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Information card for entry 7036621
Preview
| Coordinates | 7036621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H28 F3 N4 O8 Re S3 |
|---|---|
| Calculated formula | C28 H28 F3 N4 O8 Re S3 |
| SMILES | [Re]1(C#[O])(C#[O])(C#[O])([n]2c3ccc4ccc5ccc([n]1c5c24)CSCCOCCSC3)[n]1cc[nH]c1.S(=O)(=O)([O-])C(F)(F)F.CC(=O)C |
| Title of publication | Re(i) derivatives functionalised with thioether crowns containing the 1,10-phenanthroline subunit as a new class of chemosensors. |
| Authors of publication | Casula, Arianna; Nairi, Valentina; Fernández-Moreira, Vanesa; Laguna, Antonio; Lippolis, Vito; Garau, Alessandra; Gimeno, M Concepción |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 42 |
| Pages of publication | 18506 - 18517 |
| a | 7.8582 ± 0.0016 Å |
| b | 21.123 ± 0.004 Å |
| c | 9.834 ± 0.002 Å |
| α | 90° |
| β | 102.49 ± 0.03° |
| γ | 90° |
| Cell volume | 1593.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0139 |
| Residual factor for significantly intense reflections | 0.0138 |
| Weighted residual factors for significantly intense reflections | 0.0345 |
| Weighted residual factors for all reflections included in the refinement | 0.0346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036621.cif |
| 171270 | 2015-12-09 | cif/ Updating files of 7036621, 7036622, 7036623, 7036624, 7036625, 7036626, 7036627 Original log message: Adding full bibliography for 7036621--7036627.cif. |
7036621.cif |
| 158265 | 2015-09-24 | cif/ Adding structures of 7036621, 7036622, 7036623, 7036624, 7036625, 7036626, 7036627 via cif-deposit CGI script. |
7036621.cif |
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Users of the data should acknowledge the original authors of the
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