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Information card for entry 4107189
Preview
| Coordinates | 4107189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 I3 S16 |
|---|---|
| Calculated formula | C24 H24 I3 S16 |
| SMILES | C1CCSC(=C2SC3=C(SC(=C4SCCCS4)S3)S2)S1.[I-](I)I.C1CCSC(=C2SC3=C(SC(=C4SCCCS4)S3)S2)S1 |
| Title of publication | Uniaxial Strain Orientation Dependence of Superconducting Transition Temperature (Tc) and Critical Superconducting Pressure (Pc) in β-(BDA-TTP)2I3 |
| Authors of publication | Koichi Kikuchi; Takayuki Isono; Masayuki Kojima; Haruo Yoshimoto; Takeshi Kodama; Wataru Fujita; Keiichi Yokogawa; Harukazu Yoshino; Keizo Murata; Takayuki Kaihatsu; Hiroki Akutsu; Jun-ichi Yamada |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 19590 - 19593 |
| a | 6.389 ± 0.005 Å |
| b | 9.097 ± 0.007 Å |
| c | 16.659 ± 0.008 Å |
| α | 96.44 ± 0.05° |
| β | 95.07 ± 0.05° |
| γ | 106.06 ± 0.04° |
| Cell volume | 917.3 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178817 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/71. |
4107189.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4107189.cif |
| 54841 | 2012-04-30 | cif/ Adding structures of 4107189 via cif-deposit CGI script. |
4107189.cif |
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Users of the data should acknowledge the original authors of the
structural data.