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Information card for entry 4308947
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| Coordinates | 4308947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (4,5-dibromo-4',5'-ethylenedithiotetrathiafulvalene)2(tetrabromo iron) |
|---|---|
| Formula | C16 H8 Br8 Fe S12 |
| Calculated formula | C16 H8 Br8 Fe S12 |
| SMILES | C1(=C(SC(S1)=C1SC2=C(S1)SCCS2)Br)Br.Br[Fe](Br)(Br)[Br-].C1(=C(SC(=C2SC3=C(S2)SCCS3)S1)Br)Br |
| Title of publication | d-Electron-Induced Negative Magnetoresistance of a π-d Interaction System Based on a Brominated-TTF Donor |
| Authors of publication | Junichi Nishijo; Akira Miyazaki; Toshiaki Enoki; Ryoji Watanabe; Yoshiyuki Kuwatani; Masahiko Iyoda |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 2493 - 2506 |
| a | 7.066 ± 0.01 Å |
| b | 13.1 ± 0.02 Å |
| c | 35.65 ± 0.09 Å |
| α | 90.26 ± 0.16° |
| β | 90° |
| γ | 90° |
| Cell volume | 3300 ± 11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 2/b 1 1 |
| Hall space group symbol | -I 2xb |
| Residual factor for all reflections | 0.09 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1321 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179127 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89. |
4308947.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308947.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308947.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308947.cif |
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Users of the data should acknowledge the original authors of the
structural data.