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Information card for entry 1508482
Preview
| Coordinates | 1508482.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H10 O S4 Se4 |
|---|---|
| Calculated formula | C14 H10 O S4 Se4 |
| SMILES | [Se]1C2SC(SC=2[Se]C1=C1[Se]C(=C([Se]1)SC)SC)=C1C=COC=C1 |
| Title of publication | Synthesis, Structures and Properties of Molecular Conductors Based on Bis-Fused Donors Composed of (Thio)Pyran-4-ylidene-1,3-dithiole and Tetraselenafulvalene |
| Authors of publication | Ishidzu, Ken-ichi; Ashizawa, Minoru; Watanabe, Masaki; Shirahata, Takashi; Misaki, Yohji |
| Journal of publication | Crystals |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 1092 - 1107 |
| a | 5.2296 ± 0.001 Å |
| b | 11.006 ± 0.002 Å |
| c | 31.718 ± 0.006 Å |
| α | 90° |
| β | 93.903 ± 0.006° |
| γ | 90° |
| Cell volume | 1821.4 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.0918 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508482.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508482.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508482.cif |
| 69309 | 2012-12-08 | cif/ Adding structures of 1508482, 1508483, 1508484 via cif-deposit CGI script. |
1508482.cif |
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Users of the data should acknowledge the original authors of the
structural data.