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Information card for entry 7204106
Preview
| Coordinates | 7204106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14.5 Br2 Cl2.5 Ga S12 |
|---|---|
| Calculated formula | C17 H12 Br2.921 Cl0.5 Ga S12 |
| Title of publication | Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition |
| Authors of publication | Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2001 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 2125 |
| a | 14.136 ± 0.002 Å |
| b | 14.361 ± 0.003 Å |
| c | 8.571 ± 0.001 Å |
| α | 105.88 ± 0.01° |
| β | 93.89 ± 0.01° |
| γ | 76.65 ± 0.01° |
| Cell volume | 1628.3 ± 0.5 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293.2 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 | 0.0737 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections | 5.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 5.1 |
| Diffraction radiation wavelength | 0.7107 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. |
7204106.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7204106.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204106.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204106.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/. |
7204106.cif |
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Users of the data should acknowledge the original authors of the
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