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Information card for entry 2242698
Preview
| Coordinates | 2242698.cif |
|---|---|
| Structure factors | 2242698.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Dichloridobis(<i>N</i>,<i>N</i>'-dicyclohexyl-3-cyclopropylprop-2-ynamidine)iron(II) |
|---|---|
| Formula | C36 H56 Cl2 Fe N4 |
| Calculated formula | C36 H56 Cl2 Fe N4 |
| SMILES | C(C#CC1CC1)(=[N](C1CCCCC1)[Fe]([N](=C(C#CC1CC1)NC1CCCCC1)C1CCCCC1)(Cl)Cl)NC1CCCCC1 |
| Title of publication | Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes |
| Authors of publication | Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 11 |
| Pages of publication | 1658 - 1664 |
| a | 13.905 ± 0.007 Å |
| b | 12.5 ± 0.006 Å |
| c | 20.742 ± 0.011 Å |
| α | 90° |
| β | 92.24 ± 0.04° |
| γ | 90° |
| Cell volume | 3602 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211684 (current) | 2018-10-27 | cif/ hkl/ Adding structures of 2242696, 2242697, 2242698, 2242699 via cif-deposit CGI script. |
2242698.cif 2242698.hkl |
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Users of the data should acknowledge the original authors of the
structural data.