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Information card for entry 7011903
Preview
| Coordinates | 7011903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | o-Me2TTF-SbPh2 |
|---|---|
| Chemical name | 3-(diphenylstibino)3',4'-dimethyltetrathiafulvalene |
| Formula | C20 H17 S4 Sb |
| Calculated formula | C20 H17 S4 Sb |
| SMILES | [Sb](C1=CSC(S1)=C1SC(=C(S1)C)C)(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 | 7.7888 ± 0.0016 Å |
| b | 38.875 ± 0.008 Å |
| c | 6.8578 ± 0.0014 Å |
| α | 90° |
| β | 92.87 ± 0.03° |
| γ | 90° |
| Cell volume | 2073.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0632 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| 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. |
7011903.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7011903.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. |
7011903.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011903.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011903.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011903.cif |
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