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Information card for entry 7011905
Preview
| Coordinates | 7011905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis (3-diphenylstibino-3',4,4'-trimethyltetrathiafulvalene) nonadecaoxohexamolybdate(VI) |
|---|---|
| Formula | C42 H38 Mo6 O19 S8 Sb2 |
| Calculated formula | C42 H38 Mo6 O19 S8 Sb2 |
| SMILES | C1(=C(C)SC(=C2SC(=C(C)S2)C)S1)[Sb](c1ccccc1)c1ccccc1.O1[Mo]234(O[Mo]567(O[Mo]89([O]%10%1127[Mo]2(O6)(O8)(O[Mo]%11(O[Mo]1%10(O5)(O2)=O)(O9)(O3)=O)=O)(O4)=O)=O)=O.C1(=C(C)SC(=C2SC(=C(C)S2)C)S1)[Sb](c1ccccc1)c1ccccc1 |
| Title of publication | SbS and SS interactions in the first neutral and oxidized diphenylstibino (Ph2Sb‒) derivatives of the redox active tetrathiafulvalene (TTF) core |
| Authors of publication | Srinivasan S. Kuduva; Narcis Avarvari; Marc Fourmigué |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 19 |
| Pages of publication | 3686 - 3690 |
| a | 24.63 ± 0.005 Å |
| b | 13.868 ± 0.003 Å |
| c | 19.166 ± 0.004 Å |
| α | 90° |
| β | 115.83 ± 0.03° |
| γ | 90° |
| Cell volume | 5892 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0611 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011905.cif |
| 179823 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/19. |
7011905.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011905.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011905.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011905.cif |
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