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Information card for entry 7005085
Preview
| Coordinates | 7005085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H22 Cl F9 Gd N4 O9 Re S3 |
|---|---|
| Calculated formula | C41 H22 Cl F9 Gd N4 O9 Re S3 |
| SMILES | [Gd]1234([O]=C(C(F)(F)F)C=C(O1)c1cccs1)(OC(=CC(=[O]2)c1cccs1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)c1cccs1)[n]1c(cccc1)c1[n]4cc[n]2[Re](Cl)([n]3c(c12)cccc3)(C#[O])(C#[O])C#[O] |
| Title of publication | Sensitised near-infrared luminescence from lanthanide(III) centres using Re(I) and Pt(II) diimine complexes as energy donors in d-f dinuclear complexes based on 2,3-bis(2-pyridyl)pyrazine. |
| Authors of publication | Kennedy, Frazer; Shavaleev, Nail M.; Koullourou, Thelma; Bell, Zoë R; Jeffery, John C.; Faulkner, Stephen; Ward, Michael D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 15 |
| Pages of publication | 1492 - 1499 |
| a | 8.849 ± 0.004 Å |
| b | 38.843 ± 0.011 Å |
| c | 13.404 ± 0.005 Å |
| α | 90° |
| β | 101.26 ± 0.04° |
| γ | 90° |
| Cell volume | 4519 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179754 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/50. |
7005085.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005085.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005085.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005085.cif |
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