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Information card for entry 2312386
Preview
| Coordinates | 2312386.cif |
|---|---|
| Structure factors | 2312386.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Bis[bis(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i>^1^)iron(II) dihydrate |
|---|---|
| Formula | C20 H18 Fe N16 O2 |
| Calculated formula | C20 H18 Fe N16 O2 |
| Title of publication | Racemic <i>cis</i>-bis-[bis-(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i><sup>1</sup>)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis. |
| Authors of publication | Saadallah, Yaakoub; Setifi, Zouaoui; Jelsch, Christian; Setifi, Fatima; Al-Douh, Mohammed Hadi; Satour, Achouak; Glidewell, Christopher |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 10 |
| Pages of publication | 936 - 941 |
| a | 8.196 ± 0.0007 Å |
| b | 10.4671 ± 0.0011 Å |
| c | 14.7926 ± 0.0014 Å |
| α | 105.254 ± 0.004° |
| β | 92.903 ± 0.003° |
| γ | 90.356 ± 0.004° |
| Cell volume | 1222.5 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1565 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289229 (current) | 2024-01-31 | cif/ hkl/ Adding structures of 2312386 via cif-deposit CGI script. |
2312386.cif 2312386.hkl |
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Users of the data should acknowledge the original authors of the
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