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Information card for entry 2023464
Preview
| Coordinates | 2023464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-Tetramethylcyclohexane-1,2-bis(aminium) tetrachloridoferrate chloride |
|---|---|
| Formula | C10 H24 Cl5 Fe N2 |
| Calculated formula | C10 H24 Cl5 Fe N2 |
| SMILES | [Fe](Cl)(Cl)(Cl)[Cl-].[Cl-].[NH+]([C@H]1[C@H]([NH+](C)C)CCCC1)(C)C |
| Title of publication | Synthesis and crystal structure study of (<i>R</i>,<i>R</i>)-TMCDA ethanol derivatives doubly protonated with FeCl<sub>4</sub> <sup>-</sup> and Cl<sup>-</sup> as counter-ions. |
| Authors of publication | Klotz, Franziska Dorothea; Alonso Felipe, Clara; Villafañe, Fernando; Strohmann, Carsten |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 5 |
| Pages of publication | 372 - 376 |
| a | 10.2322 ± 0.0003 Å |
| b | 9.2378 ± 0.0005 Å |
| c | 10.7384 ± 0.0004 Å |
| α | 90° |
| β | 116.797 ± 0.001° |
| γ | 90° |
| Cell volume | 906.02 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0195 |
| Residual factor for significantly intense reflections | 0.0176 |
| Weighted residual factors for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299933 (current) | 2025-06-03 | cif/ Updating files of 2023463, 2023464 Original log message: Adding full bibliography for 2023463--2023464.cif. |
2023464.cif |
| 299232 | 2025-04-09 | cif/ Adding structures of 2023463, 2023464 via cif-deposit CGI script. |
2023464.cif |
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