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Information card for entry 7204757
Preview
| Coordinates | 7204757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (EDT-TTF-I2)2, PbI3, H20 |
|---|---|
| Chemical name | Bis(3,4-diiodo-3',4'-ethylenedithiotetrathiafulvalene), triiodolead(II), water |
| Formula | C8 H4 I3.5 O0.5 Pb0.5 S6 |
| Calculated formula | C8 H4 I3.5 O0.5 Pb0.5 S6 |
| Title of publication | (EDT-TTF-I2)2PbI3�H2O: an ambient pressure metal with a ?? donor slab topologyElectronic supplementary information (ESI) available: indexed X-ray powder diagram and chemical analysis results for [(C2H5)4N]PbI3. See http://www.rsc.org/suppdata/jm/b3/b312493b/ |
| Authors of publication | Devic, Thomas; Canadell, Enric; Auban-Senzier, Pascale; Batail, Patrick |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2004 |
| Journal volume | 14 |
| Journal issue | 2 |
| Pages of publication | 135 |
| a | 8.0312 ± 0.0016 Å |
| b | 12.13 ± 0.002 Å |
| c | 20.777 ± 0.004 Å |
| α | 102.29 ± 0.03° |
| β | 99.88 ± 0.03° |
| γ | 100.13 ± 0.03° |
| Cell volume | 1900.3 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7204757.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204757.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204757.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204757.cif |
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