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Information card for entry 7009104
Preview
| Coordinates | 7009104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H58 B Cu F4 N2 P4 S8 |
|---|---|
| Calculated formula | C68 H58 B Cu F4 N2 P4 S8 |
| SMILES | [Cu]12([P](C3=C(SC(=C4SC(=C(S4)C)C)S3)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C1=C(SC(S1)=C1SC(=C(S1)C)C)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].CC#N.CC#N |
| Title of publication | Homoleptic complexes of Ag(I), Cu(I), Pd(II) and Pt(II) with tetrathiafulvalene-functionalized phosphine ligands † |
| Authors of publication | Smucker, Bradley W.; Dunbar, Kim R. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 8 |
| Pages of publication | 1309 |
| a | 17.788 ± 0.004 Å |
| b | 20.676 ± 0.004 Å |
| c | 18.183 ± 0.004 Å |
| α | 90° |
| β | 90.83 ± 0.03° |
| γ | 90° |
| Cell volume | 6687 ± 2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0938 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205752 (current) | 2018-01-26 | cif/7 Fixing some Z values and formulae |
7009104.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. |
7009104.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009104.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009104.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009104.cif |
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