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Information card for entry 4003294
Preview
| Coordinates | 4003294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (DIETSe)2FeCl4 |
|---|---|
| Formula | C16 H8 Cl4 Fe I4 S4 Se8 |
| Calculated formula | C16 Cl4 Fe I4 S4 Se8 |
| Title of publication | Use of Halogen Bonding in a Molecular Solid Solution to Simultaneously Control Spin and Charge |
| Authors of publication | Kawaguchi, Genta; Maesato, Mitsuhiko; Komatsu, Tokutaro; Imakubo, Tatsuro; Kiswandhi, Andhika; Graf, David; Kitagawa, Hiroshi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 20 |
| Pages of publication | 7276 |
| a | 7.3315 ± 0.0009 Å |
| b | 35.801 ± 0.004 Å |
| c | 13.5837 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3565.4 ± 0.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0672 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231498 (current) | 2019-11-22 | cif/ Adding structures of 4003294 via cif-deposit CGI script. |
4003294.cif |
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Users of the data should acknowledge the original authors of the
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